Daily Papers

Virtual cell modeling represents an emerging frontier at the intersection of artificial intelligence and biology, aiming to predict quantities such as responses to diverse perturbations quantitatively. However, autonomously building computational models for virtual cells is challenging due to the complexity of biological systems, the heterogeneity of data modalities, and the need for domain-specific expertise across multiple disciplines. Here, we introduce CellForge, an agentic system that leverages a multi-agent framework that transforms presented biological datasets and research objectives directly into optimized computational models for virtual cells. More specifically, given only raw single-cell multi-omics data and task descriptions as input, CellForge outputs both an optimized model architecture and executable code for training virtual cell models and inference. The framework integrates three core modules: Task Analysis for presented dataset characterization and relevant literature retrieval, Method Design, where specialized agents collaboratively develop optimized modeling strategies, and Experiment Execution for automated generation of code. The agents in the Design module are separated into experts with differing perspectives and a central moderator, and have to collaboratively exchange solutions until they achieve a reasonable consensus. We demonstrate CellForge's capabilities in single-cell perturbation prediction, using six diverse datasets that encompass gene knockouts, drug treatments, and cytokine stimulations across multiple modalities. CellForge consistently outperforms task-specific state-of-the-art methods. Overall, CellForge demonstrates how iterative interaction between LLM agents with differing perspectives provides better solutions than directly addressing a modeling challenge. Our code is publicly available at https://github.com/gersteinlab/CellForge.

The Text-to-SQL(Text2SQL) task aims to convert natural language queries into executable SQL queries. Thanks to the application of large language models (LLMs), significant progress has been made in this field. However, challenges such as model scalability, limited generation space, and coherence issues in SQL generation still persist. To address these issues, we propose SQL-o1, a Self-Reward-based heuristic search method designed to enhance the reasoning ability of LLMs in SQL query generation. SQL-o1 combines Monte Carlo Tree Search (MCTS) for heuristic process-level search and constructs a Schema-Aware dataset to help the model better understand database schemas. Extensive experiments on the Bird and Spider datasets demonstrate that SQL-o1 improves execution accuracy by 10.8\% on the complex Bird dataset compared to the latest baseline methods, even outperforming GPT-4-based approaches. Additionally, SQL-o1 excels in few-shot learning scenarios and shows strong cross-model transferability. Our code is publicly available at:https://github.com/ShuaiLyu0110/SQL-o1.

Chemical reasoning usually involves complex, multi-step processes that demand precise calculations, where even minor errors can lead to cascading failures. Furthermore, large language models (LLMs) encounter difficulties handling domain-specific formulas, executing reasoning steps accurately, and integrating code effectively when tackling chemical reasoning tasks. To address these challenges, we present ChemAgent, a novel framework designed to improve the performance of LLMs through a dynamic, self-updating library. This library is developed by decomposing chemical tasks into sub-tasks and compiling these sub-tasks into a structured collection that can be referenced for future queries. Then, when presented with a new problem, ChemAgent retrieves and refines pertinent information from the library, which we call memory, facilitating effective task decomposition and the generation of solutions. Our method designs three types of memory and a library-enhanced reasoning component, enabling LLMs to improve over time through experience. Experimental results on four chemical reasoning datasets from SciBench demonstrate that ChemAgent achieves performance gains of up to 46% (GPT-4), significantly outperforming existing methods. Our findings suggest substantial potential for future applications, including tasks such as drug discovery and materials science. Our code can be found at https://github.com/gersteinlab/chemagent

With generative models producing high quality images that are indistinguishable from real ones, there is growing concern regarding the malicious usage of AI-generated images. Imperceptible image watermarking is one viable solution towards such concerns. Prior watermarking methods map the image to a latent space for adding the watermark. Moreover, Latent Diffusion Models (LDM) generate the image in the latent space of a pre-trained autoencoder. We argue that this latent space can be used to integrate watermarking into the generation process. To this end, we present LaWa, an in-generation image watermarking method designed for LDMs. By using coarse-to-fine watermark embedding modules, LaWa modifies the latent space of pre-trained autoencoders and achieves high robustness against a wide range of image transformations while preserving perceptual quality of the image. We show that LaWa can also be used as a general image watermarking method. Through extensive experiments, we demonstrate that LaWa outperforms previous works in perceptual quality, robustness against attacks, and computational complexity, while having very low false positive rate. Code is available here.

Neural machine translation (NMT) has progressed rapidly in the past few years, promising improvements and quality translations for different languages. Evaluation of this task is crucial to determine the quality of the translation. Overall, insufficient emphasis is placed on the actual sense of the translation in traditional methods. We propose a bidirectional semantic-based evaluation method designed to assess the sense distance of the translation from the source text. This approach employs the comprehensive multilingual encyclopedic dictionary BabelNet. Through the calculation of the semantic distance between the source and its back translation of the output, our method introduces a quantifiable approach that empowers sentence comparison on the same linguistic level. Factual analysis shows a strong correlation between the average evaluation scores generated by our method and the human assessments across various machine translation systems for English-German language pair. Finally, our method proposes a new multilingual approach to rank MT systems without the need for parallel corpora.

Label errors have been found to be prevalent in popular text, vision, and audio datasets, which heavily influence the safe development and evaluation of machine learning algorithms. Despite increasing efforts towards improving the quality of generic data types, such as images and texts, the problem of mislabel detection in graph data remains underexplored. To bridge the gap, we explore mislabelling issues in popular real-world graph datasets and propose GraphCleaner, a post-hoc method to detect and correct these mislabelled nodes in graph datasets. GraphCleaner combines the novel ideas of 1) Synthetic Mislabel Dataset Generation, which seeks to generate realistic mislabels; and 2) Neighborhood-Aware Mislabel Detection, where neighborhood dependency is exploited in both labels and base classifier predictions. Empirical evaluations on 6 datasets and 6 experimental settings demonstrate that GraphCleaner outperforms the closest baseline, with an average improvement of 0.14 in F1 score, and 0.16 in MCC. On real-data case studies, GraphCleaner detects real and previously unknown mislabels in popular graph benchmarks: PubMed, Cora, CiteSeer and OGB-arxiv; we find that at least 6.91% of PubMed data is mislabelled or ambiguous, and simply removing these mislabelled data can boost evaluation performance from 86.71% to 89.11%.

Using deep learning, 3D autonomous driving semantic segmentation has become a well-studied subject, with methods that can reach very high performance. Nonetheless, because of the limited size of the training datasets, these models cannot see every type of object and scene found in real-world applications. The ability to be reliable in these various unknown environments is called domain generalization. Despite its importance, domain generalization is relatively unexplored in the case of 3D autonomous driving semantic segmentation. To fill this gap, this paper presents the first benchmark for this application by testing state-of-the-art methods and discussing the difficulty of tackling Laser Imaging Detection and Ranging (LiDAR) domain shifts. We also propose the first method designed to address this domain generalization, which we call 3DLabelProp. This method relies on leveraging the geometry and sequentiality of the LiDAR data to enhance its generalization performances by working on partially accumulated point clouds. It reaches a mean Intersection over Union (mIoU) of 50.4% on SemanticPOSS and of 55.2% on PandaSet solid-state LiDAR while being trained only on SemanticKITTI, making it the state-of-the-art method for generalization (+5% and +33% better, respectively, than the second best method). The code for this method is available on GitHub: https://github.com/JulesSanchez/3DLabelProp.

Recent advancements in text-to-video (T2V) diffusion models have enabled high-fidelity and realistic video synthesis. However, current T2V models often struggle to generate physically plausible content due to their limited inherent ability to accurately understand physics. We found that while the representations within T2V models possess some capacity for physics understanding, they lag significantly behind those from recent video self-supervised learning methods. To this end, we propose a novel framework called VideoREPA, which distills physics understanding capability from video understanding foundation models into T2V models by aligning token-level relations. This closes the physics understanding gap and enable more physics-plausible generation. Specifically, we introduce the Token Relation Distillation (TRD) loss, leveraging spatio-temporal alignment to provide soft guidance suitable for finetuning powerful pre-trained T2V models, a critical departure from prior representation alignment (REPA) methods. To our knowledge, VideoREPA is the first REPA method designed for finetuning T2V models and specifically for injecting physical knowledge. Empirical evaluations show that VideoREPA substantially enhances the physics commonsense of baseline method, CogVideoX, achieving significant improvement on relevant benchmarks and demonstrating a strong capacity for generating videos consistent with intuitive physics. More video results are available at https://videorepa.github.io/.

Long-context modeling is a critical capability for multimodal large language models (MLLMs), enabling them to process long-form contents with implicit memorization. Despite its advances, handling extremely long videos remains challenging due to the difficulty in maintaining crucial features over extended sequences. This paper introduces a Hierarchical visual token Compression (HiCo) method designed for high-fidelity representation and a practical context modeling system VideoChat-Flash tailored for multimodal long-sequence processing. HiCo capitalizes on the redundancy of visual information in long videos to compress long video context from the clip-level to the video-level, reducing the compute significantly while preserving essential details. VideoChat-Flash features a multi-stage short-to-long learning scheme, a rich dataset of real-world long videos named LongVid, and an upgraded "Needle-In-A-video-Haystack" (NIAH) for evaluating context capacities. In extensive experiments, VideoChat-Flash shows the leading performance on both mainstream long and short video benchmarks at the 7B model scale. It firstly gets 99.1% accuracy over 10,000 frames in NIAH among open-source models.

The Dialog State Tracking Challenge 4 (DSTC 4) differentiates itself from the previous three editions as follows: the number of slot-value pairs present in the ontology is much larger, no spoken language understanding output is given, and utterances are labeled at the subdialog level. This paper describes a novel dialog state tracking method designed to work robustly under these conditions, using elaborate string matching, coreference resolution tailored for dialogs and a few other improvements. The method can correctly identify many values that are not explicitly present in the utterance. On the final evaluation, our method came in first among 7 competing teams and 24 entries. The F1-score achieved by our method was 9 and 7 percentage points higher than that of the runner-up for the utterance-level evaluation and for the subdialog-level evaluation, respectively.

Our MATE is the first Test-Time-Training (TTT) method designed for 3D data, which makes deep networks trained for point cloud classification robust to distribution shifts occurring in test data. Like existing TTT methods from the 2D image domain, MATE also leverages test data for adaptation. Its test-time objective is that of a Masked Autoencoder: a large portion of each test point cloud is removed before it is fed to the network, tasked with reconstructing the full point cloud. Once the network is updated, it is used to classify the point cloud. We test MATE on several 3D object classification datasets and show that it significantly improves robustness of deep networks to several types of corruptions commonly occurring in 3D point clouds. We show that MATE is very efficient in terms of the fraction of points it needs for the adaptation. It can effectively adapt given as few as 5% of tokens of each test sample, making it extremely lightweight. Our experiments show that MATE also achieves competitive performance by adapting sparsely on the test data, which further reduces its computational overhead, making it ideal for real-time applications.

Efficient experiment reproduction is critical to accelerating progress in artificial intelligence. However, the inherent complexity of method design and training procedures presents substantial challenges for automation. Notably, reproducing experiments often requires implicit domain-specific knowledge not explicitly documented in the original papers. To address this, we introduce the paper lineage algorithm, which identifies and extracts implicit knowledge from the relevant references cited by the target paper. Building on this idea, we propose AutoReproduce, a multi-agent framework capable of automatically reproducing experiments described in research papers in an end-to-end manner. AutoReproduce enhances code executability by generating unit tests alongside the reproduction process. To evaluate the reproduction capability, we construct ReproduceBench, a benchmark annotated with verified implementations, and introduce novel evaluation metrics to assess both the reproduction and execution fidelity. Experimental results demonstrate that AutoReproduce outperforms the existing strong agent baselines on all five evaluation metrics by a peak margin of over 70%. In particular, compared to the official implementations, AutoReproduce achieves an average performance gap of 22.1% on 89.74% of the executable experiment runs. The code will be available at https://github.com/AI9Stars/AutoReproduce.

This paper presents a novel technique based on gradient boosting to train the final layers of a neural network (NN). Gradient boosting is an additive expansion algorithm in which a series of models are trained sequentially to approximate a given function. A neural network can also be seen as an additive expansion where the scalar product of the responses of the last hidden layer and its weights provide the final output of the network. Instead of training the network as a whole, the proposed algorithm trains the network sequentially in T steps. First, the bias term of the network is initialized with a constant approximation that minimizes the average loss of the data. Then, at each step, a portion of the network, composed of J neurons, is trained to approximate the pseudo-residuals on the training data computed from the previous iterations. Finally, the T partial models and bias are integrated as a single NN with T times J neurons in the hidden layer. Extensive experiments in classification and regression tasks, as well as in combination with deep neural networks, are carried out showing a competitive generalization performance with respect to neural networks trained with different standard solvers, such as Adam, L-BFGS, SGD and deep models. Furthermore, we show that the proposed method design permits to switch off a number of hidden units during test (the units that were last trained) without a significant reduction of its generalization ability. This permits the adaptation of the model to different classification speed requirements on the fly.

In the field of environmental science, it is crucial to have robust evaluation metrics for large language models to ensure their efficacy and accuracy. We propose EnviroExam, a comprehensive evaluation method designed to assess the knowledge of large language models in the field of environmental science. EnviroExam is based on the curricula of top international universities, covering undergraduate, master's, and doctoral courses, and includes 936 questions across 42 core courses. By conducting 0-shot and 5-shot tests on 31 open-source large language models, EnviroExam reveals the performance differences among these models in the domain of environmental science and provides detailed evaluation standards. The results show that 61.3% of the models passed the 5-shot tests, while 48.39% passed the 0-shot tests. By introducing the coefficient of variation as an indicator, we evaluate the performance of mainstream open-source large language models in environmental science from multiple perspectives, providing effective criteria for selecting and fine-tuning language models in this field. Future research will involve constructing more domain-specific test sets using specialized environmental science textbooks to further enhance the accuracy and specificity of the evaluation.

Supervised learning for empathy regression is challenged by noisy self-reported empathy scores. While many algorithms have been proposed for learning with noisy labels in textual classification problems, the regression counterpart is relatively under-explored. We propose UPLME, an uncertainty-aware probabilistic language modelling framework to capture label noise in the regression setting of empathy detection. UPLME includes a probabilistic language model that predicts both empathy score and heteroscedastic uncertainty and is trained using Bayesian concepts with variational model ensembling. We further introduce two novel loss components: one penalises degenerate Uncertainty Quantification (UQ), and another enforces the similarity between the input pairs on which we predict empathy. UPLME provides state-of-the-art performance (Pearson Correlation Coefficient: 0.558rightarrow0.580 and 0.629rightarrow0.634) in terms of the performance reported in the literature in two public benchmarks, having label noise. Through synthetic label noise injection, we show that UPLME is effective in separating noisy and clean samples based on the predicted uncertainty. UPLME further outperform (Calibration error: 0.571rightarrow0.376) a recent variational model ensembling-based UQ method designed for regression problems.

The advent of instruction-tuned Large Language Models designed for coding tasks (Code LLMs) has transformed software engineering practices. However, their robustness against various input challenges remains a critical concern. This study introduces DegradePrompter, a novel method designed to systematically evaluate the robustness of instruction-tuned Code LLMs. We assess the impact of diverse input challenges on the functionality and correctness of generated code using rigorous metrics and established benchmarks. Our comprehensive evaluation includes five state-of-the-art open-source models and three production-grade closed-source models, revealing varying degrees of robustness. Open-source models demonstrate an increased susceptibility to input perturbations, resulting in declines in functional correctness ranging from 12% to 34%. In contrast, commercial models demonstrate relatively greater resilience, with performance degradation ranging from 3% to 24%. To enhance the robustness of the models against these vulnerabilities, we investigate a straightforward yet effective mitigation strategy. Our findings highlight the need for robust defense mechanisms and comprehensive evaluations during both the development and deployment phases to ensure the resilience and reliability of automated code generation systems.

Deep learning methods have shown outstanding classification accuracy in medical imaging problems, which is largely attributed to the availability of large-scale datasets manually annotated with clean labels. However, given the high cost of such manual annotation, new medical imaging classification problems may need to rely on machine-generated noisy labels extracted from radiology reports. Indeed, many Chest X-ray (CXR) classifiers have already been modelled from datasets with noisy labels, but their training procedure is in general not robust to noisy-label samples, leading to sub-optimal models. Furthermore, CXR datasets are mostly multi-label, so current noisy-label learning methods designed for multi-class problems cannot be easily adapted. In this paper, we propose a new method designed for the noisy multi-label CXR learning, which detects and smoothly re-labels samples from the dataset, which is then used to train common multi-label classifiers. The proposed method optimises a bag of multi-label descriptors (BoMD) to promote their similarity with the semantic descriptors produced by BERT models from the multi-label image annotation. Our experiments on diverse noisy multi-label training sets and clean testing sets show that our model has state-of-the-art accuracy and robustness in many CXR multi-label classification benchmarks.

We introduce DIP, a novel unsupervised post-training method designed to enhance dense image representations in large-scale pretrained vision encoders for in-context scene understanding. Unlike prior approaches that rely on complex self-distillation architectures, our method trains the vision encoder using pseudo-tasks that explicitly simulate downstream in-context scenarios, inspired by meta-learning principles. To enable post-training on unlabeled data, we propose an automatic mechanism for generating in-context tasks that combines a pretrained diffusion model and the vision encoder itself. DIP is simple, unsupervised, and computationally efficient, requiring less than 9 hours on a single A100 GPU. By learning dense representations through pseudo in-context tasks, it achieves strong performance across a wide variety of downstream real-world in-context scene understanding tasks. It outperforms both the initial vision encoder and prior methods, offering a practical and effective solution for improving dense representations. Code available here: https://github.com/sirkosophia/DIP

This paper introduces LAFT, a novel feature transformation method designed to incorporate user knowledge and preferences into anomaly detection using natural language. Accurately modeling the boundary of normality is crucial for distinguishing abnormal data, but this is often challenging due to limited data or the presence of nuisance attributes. While unsupervised methods that rely solely on data without user guidance are common, they may fail to detect anomalies of specific interest. To address this limitation, we propose Language-Assisted Feature Transformation (LAFT), which leverages the shared image-text embedding space of vision-language models to transform visual features according to user-defined requirements. Combined with anomaly detection methods, LAFT effectively aligns visual features with user preferences, allowing anomalies of interest to be detected. Extensive experiments on both toy and real-world datasets validate the effectiveness of our method.

Unsupervised reinforcement learning (RL) studies how to leverage environment statistics to learn useful behaviors without the cost of reward engineering. However, a central challenge in unsupervised RL is to extract behaviors that meaningfully affect the world and cover the range of possible outcomes, without getting distracted by inherently unpredictable, uncontrollable, and stochastic elements in the environment. To this end, we propose an unsupervised RL method designed for high-dimensional, stochastic environments based on an adversarial game between two policies (which we call Explore and Control) controlling a single body and competing over the amount of observation entropy the agent experiences. The Explore agent seeks out states that maximally surprise the Control agent, which in turn aims to minimize surprise, and thereby manipulate the environment to return to familiar and predictable states. The competition between these two policies drives them to seek out increasingly surprising parts of the environment while learning to gain mastery over them. We show formally that the resulting algorithm maximizes coverage of the underlying state in block MDPs with stochastic observations, providing theoretical backing to our hypothesis that this procedure avoids uncontrollable and stochastic distractions. Our experiments further demonstrate that Adversarial Surprise leads to the emergence of complex and meaningful skills, and outperforms state-of-the-art unsupervised reinforcement learning methods in terms of both exploration and zero-shot transfer to downstream tasks.

Generative diffusion models provide strong priors for text-to-image generation and thereby serve as a foundation for conditional generation tasks such as image editing, restoration, and super-resolution. However, one major limitation of diffusion models is their slow sampling time. To address this challenge, we present a novel conditional distillation method designed to supplement the diffusion priors with the help of image conditions, allowing for conditional sampling with very few steps. We directly distill the unconditional pre-training in a single stage through joint-learning, largely simplifying the previous two-stage procedures that involve both distillation and conditional finetuning separately. Furthermore, our method enables a new parameter-efficient distillation mechanism that distills each task with only a small number of additional parameters combined with the shared frozen unconditional backbone. Experiments across multiple tasks including super-resolution, image editing, and depth-to-image generation demonstrate that our method outperforms existing distillation techniques for the same sampling time. Notably, our method is the first distillation strategy that can match the performance of the much slower fine-tuned conditional diffusion models.

Concept erasure in language models has traditionally lacked a comprehensive evaluation framework, leading to incomplete assessments of effectiveness of erasure methods. We propose an evaluation paradigm centered on three critical criteria: innocence (complete knowledge removal), seamlessness (maintaining conditional fluent generation), and specificity (preserving unrelated task performance). Our evaluation metrics naturally motivate the development of Erasure of Language Memory (ELM), a new method designed to address all three dimensions. ELM employs targeted low-rank updates to alter output distributions for erased concepts while preserving overall model capabilities including fluency when prompted for an erased concept. We demonstrate ELM's efficacy on biosecurity, cybersecurity, and literary domain erasure tasks. Comparative analysis shows that ELM achieves superior performance across our proposed metrics, including near-random scores on erased topic assessments, generation fluency, maintained accuracy on unrelated benchmarks, and robustness under adversarial attacks. Our code, data, and trained models are available at https://elm.baulab.info

Large language models (LLMs) like ChatGPT and Gemini have significantly advanced natural language processing, enabling various applications such as chatbots and automated content generation. However, these models can be exploited by malicious individuals who craft toxic prompts to elicit harmful or unethical responses. These individuals often employ jailbreaking techniques to bypass safety mechanisms, highlighting the need for robust toxic prompt detection methods. Existing detection techniques, both blackbox and whitebox, face challenges related to the diversity of toxic prompts, scalability, and computational efficiency. In response, we propose ToxicDetector, a lightweight greybox method designed to efficiently detect toxic prompts in LLMs. ToxicDetector leverages LLMs to create toxic concept prompts, uses embedding vectors to form feature vectors, and employs a Multi-Layer Perceptron (MLP) classifier for prompt classification. Our evaluation on various versions of the LLama models, Gemma-2, and multiple datasets demonstrates that ToxicDetector achieves a high accuracy of 96.39\% and a low false positive rate of 2.00\%, outperforming state-of-the-art methods. Additionally, ToxicDetector's processing time of 0.0780 seconds per prompt makes it highly suitable for real-time applications. ToxicDetector achieves high accuracy, efficiency, and scalability, making it a practical method for toxic prompt detection in LLMs.

Constructing photo-realistic Free-Viewpoint Videos (FVVs) of dynamic scenes from multi-view videos remains a challenging endeavor. Despite the remarkable advancements achieved by current neural rendering techniques, these methods generally require complete video sequences for offline training and are not capable of real-time rendering. To address these constraints, we introduce 3DGStream, a method designed for efficient FVV streaming of real-world dynamic scenes. Our method achieves fast on-the-fly per-frame reconstruction within 12 seconds and real-time rendering at 200 FPS. Specifically, we utilize 3D Gaussians (3DGs) to represent the scene. Instead of the na\"ive approach of directly optimizing 3DGs per-frame, we employ a compact Neural Transformation Cache (NTC) to model the translations and rotations of 3DGs, markedly reducing the training time and storage required for each FVV frame. Furthermore, we propose an adaptive 3DG addition strategy to handle emerging objects in dynamic scenes. Experiments demonstrate that 3DGStream achieves competitive performance in terms of rendering speed, image quality, training time, and model storage when compared with state-of-the-art methods.

Recent advancements in Large Language Models (LLMs) have yielded remarkable success across diverse fields. However, handling long contexts remains a significant challenge for LLMs due to the quadratic time and space complexity of attention mechanisms and the growing memory consumption of the key-value cache during generation. This work introduces MemLong: Memory-Augmented Retrieval for Long Text Generation, a method designed to enhance the capabilities of long-context language modeling by utilizing an external retriever for historical information retrieval. MemLong combines a non-differentiable ``ret-mem'' module with a partially trainable decoder-only language model and introduces a fine-grained, controllable retrieval attention mechanism that leverages semantic-level relevant chunks. Comprehensive evaluations on multiple long-context language modeling benchmarks demonstrate that MemLong consistently outperforms other state-of-the-art LLMs. More importantly, MemLong can extend the context length on a single 3090 GPU from 4k up to 80k. Our code is available at https://github.com/Bui1dMySea/MemLong

Recent advances in text-to-image diffusion models have enabled 3D generation from a single image. However, current image-to-3D methods often produce suboptimal results for novel views, with blurred textures and deviations from the reference image, limiting their practical applications. In this paper, we introduce HiFi-123, a method designed for high-fidelity and multi-view consistent 3D generation. Our contributions are twofold: First, we propose a reference-guided novel view enhancement technique that substantially reduces the quality gap between synthesized and reference views. Second, capitalizing on the novel view enhancement, we present a novel reference-guided state distillation loss. When incorporated into the optimization-based image-to-3D pipeline, our method significantly improves 3D generation quality, achieving state-of-the-art performance. Comprehensive evaluations demonstrate the effectiveness of our approach over existing methods, both qualitatively and quantitatively.

Prompt-based learning has shown considerable promise in reformulating various downstream tasks as cloze problems by combining original input with a predetermined template. This approach demonstrates its effectiveness, especially in few-shot learning scenarios, where the model is trained on a scarce amount of data. Despite its successes, the limited templates and text in few-shot prompt-based learning scenarios leave significant room for performance improvement. Moreover, existing methods sometimes resort to model ensembles, which, while effective, could potentially hamper model efficiency due to increased computational demands. To address these issues, we introduce MixPro, an augmentation method designed to augment both the vanilla input text and the templates. We implement this through the token-level, the sentence-level, and the template-level Mixup strategies. The experimental results on five few-shot datasets show that MixPro outperforms other augmentation baselines, improving model performance by an average of 5.08% compared to before augmentation.

To tackle the challenges of large language model performance in natural language to SQL tasks, we introduce XiYan-SQL, an innovative framework that employs a multi-generator ensemble strategy to improve candidate generation. We introduce M-Schema, a semi-structured schema representation method designed to enhance the understanding of database structures. To enhance the quality and diversity of generated candidate SQL queries, XiYan-SQL integrates the significant potential of in-context learning (ICL) with the precise control of supervised fine-tuning. On one hand, we propose a series of training strategies to fine-tune models to generate high-quality candidates with diverse preferences. On the other hand, we implement the ICL approach with an example selection method based on named entity recognition to prevent overemphasis on entities. The refiner optimizes each candidate by correcting logical or syntactical errors. To address the challenge of identifying the best candidate, we fine-tune a selection model to distinguish nuances of candidate SQL queries. The experimental results on multiple dialect datasets demonstrate the robustness of XiYan-SQL in addressing challenges across different scenarios. Overall, our proposed XiYan-SQL achieves the state-of-the-art execution accuracy of 89.65% on the Spider test set, 69.86% on SQL-Eval, 41.20% on NL2GQL, and a competitive score of 72.23% on the Bird development benchmark. The proposed framework not only enhances the quality and diversity of SQL queries but also outperforms previous methods.

Large language models (LLMs) have demonstrated remarkable proficiency across various natural language processing (NLP) tasks. However, adapting LLMs to downstream applications requires computationally intensive and memory-demanding fine-tuning procedures. To alleviate these burdens, parameter-efficient fine-tuning (PEFT) techniques have emerged as a promising approach to tailor LLMs with minimal computational overhead. While PEFT methods offer substantial advantages, they do not fully address the pervasive issue of bias propagation from pre-training data. This work introduces Bias-Alleviating Low-Rank Adaptation (BA-LoRA), a novel PEFT method designed to counteract bias inheritance. BA-LoRA incorporates three distinct regularization terms: (1) a consistency regularizer, (2) a diversity regularizer, and (3) a singular value decomposition regularizer. These regularizers aim to enhance the models' consistency, diversity, and generalization capabilities during fine-tuning. We conduct extensive experiments on natural language understanding (NLU) and natural language generation (NLG) tasks using prominent LLMs such as LLaMA, Mistral, and Gemma. The results demonstrate that BA-LoRA outperforms LoRA and its state-of-the-art variants. Moreover, our method effectively mitigates the adverse effects of pre-training bias, leading to more reliable and robust model outputs. The code is available at https://github.com/cyp-jlu-ai/BA-LoRA.

Scaling the size of a model enhances its capabilities but significantly increases computation complexity. Mixture-of-Experts models (MoE) address the issue by allowing model size to scale up without substantially increasing training or inference costs. Despite their promising results, MoE models encounter several challenges. Primarily, for dynamic routing methods, the dispersion of training tokens across multiple experts can lead to underfitting, particularly for infrequent tokens. Additionally, while fixed routing methods can mitigate that issue, they compromise on the diversity of representations. In this paper, we propose MaskMoE, a method designed to enhance token-level learning by employing a routing masking technique within the Mixture-of-Experts model. MaskMoE is capable of maintaining representation diversity while achieving more comprehensive training. Experimental results demonstrate that our method outperforms previous dominant Mixture-of-Experts models in terms of both perplexity (PPL) and downstream task performance.

Large Language Models (LLMs) perform well across diverse tasks, but aligning them with human demonstrations is challenging. Recently, Reinforcement Learning (RL)-free methods like Direct Preference Optimization (DPO) have emerged, offering improved stability and scalability while retaining competitive performance relative to RL-based methods. However, while RL-free methods deliver satisfactory performance, they require significant data to develop a robust Supervised Fine-Tuned (SFT) model and an additional step to fine-tune this model on a preference dataset, which constrains their utility and scalability. In this paper, we introduce Triple Preference Optimization (TPO), a new preference learning method designed to align an LLM with three preferences without requiring a separate SFT step and using considerably less data. Through a combination of practical experiments and theoretical analysis, we show the efficacy of TPO as a single-step alignment strategy. Specifically, we fine-tuned the Phi-2 (2.7B) and Mistral (7B) models using TPO directly on the UltraFeedback dataset, achieving superior results compared to models aligned through other methods such as SFT, DPO, KTO, IPO, CPO, and ORPO. Moreover, the performance of TPO without the SFT component led to notable improvements in the MT-Bench score, with increases of +1.27 and +0.63 over SFT and DPO, respectively. Additionally, TPO showed higher average accuracy, surpassing DPO and SFT by 4.2% and 4.97% on the Open LLM Leaderboard benchmarks. Our code is publicly available at https://github.com/sahsaeedi/triple-preference-optimization .

Generating images in a consistent reference visual style remains a challenging computer vision task. State-of-the-art methods aiming for style-consistent generation struggle to effectively separate semantic content from stylistic elements, leading to content leakage from the image provided as a reference to the targets. To address this challenge, we propose Only-Style: a method designed to mitigate content leakage in a semantically coherent manner while preserving stylistic consistency. Only-Style works by localizing content leakage during inference, allowing the adaptive tuning of a parameter that controls the style alignment process, specifically within the image patches containing the subject in the reference image. This adaptive process best balances stylistic consistency with leakage elimination. Moreover, the localization of content leakage can function as a standalone component, given a reference-target image pair, allowing the adaptive tuning of any method-specific parameter that provides control over the impact of the stylistic reference. In addition, we propose a novel evaluation framework to quantify the success of style-consistent generations in avoiding undesired content leakage. Our approach demonstrates a significant improvement over state-of-the-art methods through extensive evaluation across diverse instances, consistently achieving robust stylistic consistency without undesired content leakage.

In autonomous driving, vision-centric 3D detection aims to identify 3D objects from images. However, high data collection costs and diverse real-world scenarios limit the scale of training data. Once distribution shifts occur between training and test data, existing methods often suffer from performance degradation, known as Out-of-Distribution (OOD) problems. To address this, controllable Text-to-Image (T2I) diffusion offers a potential solution for training data enhancement, which is required to generate diverse OOD scenarios with precise 3D object geometry. Nevertheless, existing controllable T2I approaches are restricted by the limited scale of training data or struggle to preserve all annotated 3D objects. In this paper, we present DriveGEN, a method designed to improve the robustness of 3D detectors in Driving via Training-Free Controllable Text-to-Image Diffusion Generation. Without extra diffusion model training, DriveGEN consistently preserves objects with precise 3D geometry across diverse OOD generations, consisting of 2 stages: 1) Self-Prototype Extraction: We empirically find that self-attention features are semantic-aware but require accurate region selection for 3D objects. Thus, we extract precise object features via layouts to capture 3D object geometry, termed self-prototypes. 2) Prototype-Guided Diffusion: To preserve objects across various OOD scenarios, we perform semantic-aware feature alignment and shallow feature alignment during denoising. Extensive experiments demonstrate the effectiveness of DriveGEN in improving 3D detection. The code is available at https://github.com/Hongbin98/DriveGEN.

Evaluating deep reinforcement learning (DRL) agents against targeted behavior attacks is critical for assessing their robustness. These attacks aim to manipulate the victim into specific behaviors that align with the attacker's objectives, often bypassing traditional reward-based defenses. Prior methods have primarily focused on reducing cumulative rewards; however, rewards are typically too generic to capture complex safety requirements effectively. As a result, focusing solely on reward reduction can lead to suboptimal attack strategies, particularly in safety-critical scenarios where more precise behavior manipulation is needed. To address these challenges, we propose RAT, a method designed for universal, targeted behavior attacks. RAT trains an intention policy that is explicitly aligned with human preferences, serving as a precise behavioral target for the adversary. Concurrently, an adversary manipulates the victim's policy to follow this target behavior. To enhance the effectiveness of these attacks, RAT dynamically adjusts the state occupancy measure within the replay buffer, allowing for more controlled and effective behavior manipulation. Our empirical results on robotic simulation tasks demonstrate that RAT outperforms existing adversarial attack algorithms in inducing specific behaviors. Additionally, RAT shows promise in improving agent robustness, leading to more resilient policies. We further validate RAT by guiding Decision Transformer agents to adopt behaviors aligned with human preferences in various MuJoCo tasks, demonstrating its effectiveness across diverse tasks.

This paper presents OG-RAG, an Ontology-Grounded Retrieval Augmented Generation method designed to enhance LLM-generated responses by anchoring retrieval processes in domain-specific ontologies. While LLMs are widely used for tasks like question answering and search, they struggle to adapt to specialized knowledge, such as industrial workflows or knowledge work, without expensive fine-tuning or sub-optimal retrieval methods. Existing retrieval-augmented models, such as RAG, offer improvements but fail to account for structured domain knowledge, leading to suboptimal context generation. Ontologies, which conceptually organize domain knowledge by defining entities and their interrelationships, offer a structured representation to address this gap. OG-RAG constructs a hypergraph representation of domain documents, where each hyperedge encapsulates clusters of factual knowledge grounded using domain-specific ontology. An optimization algorithm then retrieves the minimal set of hyperedges that constructs a precise, conceptually grounded context for the LLM. This method enables efficient retrieval while preserving the complex relationships between entities. OG-RAG applies to domains where fact-based reasoning is essential, particularly in tasks that require workflows or decision-making steps to follow predefined rules and procedures. These include industrial workflows in healthcare, legal, and agricultural sectors, as well as knowledge-driven tasks such as news journalism, investigative research, consulting and more. Our evaluations demonstrate that OG-RAG increases the recall of accurate facts by 55% and improves response correctness by 40% across four different LLMs. Additionally, OG-RAG enables 30% faster attribution of responses to context and boosts fact-based reasoning accuracy by 27% compared to baseline methods.

Continual Test-Time Adaptation (CTTA) seeks to adapt source pre-trained models to continually changing, unseen target domains. While existing CTTA methods assume structured domain changes with uniform durations, real-world environments often exhibit dynamic patterns where domains recur with varying frequencies and durations. Current approaches, which adapt the same parameters across different domains, struggle in such dynamic conditions-they face convergence issues with brief domain exposures, risk forgetting previously learned knowledge, or misapplying it to irrelevant domains. To remedy this, we propose DPCore, a method designed for robust performance across diverse domain change patterns while ensuring computational efficiency. DPCore integrates three key components: Visual Prompt Adaptation for efficient domain alignment, a Prompt Coreset for knowledge preservation, and a Dynamic Update mechanism that intelligently adjusts existing prompts for similar domains while creating new ones for substantially different domains. Extensive experiments on four benchmarks demonstrate that DPCore consistently outperforms various CTTA methods, achieving state-of-the-art performance in both structured and dynamic settings while reducing trainable parameters by 99% and computation time by 64% compared to previous approaches.

Sampling-based algorithms, which eliminate ''unimportant'' computations during forward and/or back propagation (BP), offer potential solutions to accelerate neural network training. However, since sampling introduces approximations to training, such algorithms may not consistently maintain accuracy across various tasks. In this work, we introduce a variance-controlled adaptive sampling (VCAS) method designed to accelerate BP. VCAS computes an unbiased stochastic gradient with fine-grained layerwise importance sampling in data dimension for activation gradient calculation and leverage score sampling in token dimension for weight gradient calculation. To preserve accuracy, we control the additional variance by learning the sample ratio jointly with model parameters during training. We assessed VCAS on multiple fine-tuning and pre-training tasks in both vision and natural language domains. On all the tasks, VCAS can preserve the original training loss trajectory and validation accuracy with an up to 73.87% FLOPs reduction of BP and 49.58% FLOPs reduction of the whole training process. The implementation is available at https://github.com/thu-ml/VCAS .

Personalizing text-to-image models using a limited set of images for a specific object has been explored in subject-specific image generation. However, existing methods often face challenges in aligning with text prompts due to overfitting to the limited training images. In this work, we introduce InstructBooth, a novel method designed to enhance image-text alignment in personalized text-to-image models without sacrificing the personalization ability. Our approach first personalizes text-to-image models with a small number of subject-specific images using a unique identifier. After personalization, we fine-tune personalized text-to-image models using reinforcement learning to maximize a reward that quantifies image-text alignment. Additionally, we propose complementary techniques to increase the synergy between these two processes. Our method demonstrates superior image-text alignment compared to existing baselines, while maintaining high personalization ability. In human evaluations, InstructBooth outperforms them when considering all comprehensive factors. Our project page is at https://sites.google.com/view/instructbooth.

We introduce MAFALDA, a benchmark for fallacy classification that merges and unites previous fallacy datasets. It comes with a taxonomy that aligns, refines, and unifies existing classifications of fallacies. We further provide a manual annotation of a part of the dataset together with manual explanations for each annotation. We propose a new annotation scheme tailored for subjective NLP tasks, and a new evaluation method designed to handle subjectivity. We then evaluate several language models under a zero-shot learning setting and human performances on MAFALDA to assess their capability to detect and classify fallacies.

We present accumulator-aware quantization (A2Q), a novel weight quantization method designed to train quantized neural networks (QNNs) to avoid overflow when using low-precision accumulators during inference. A2Q introduces a unique formulation inspired by weight normalization that constrains the L1-norm of model weights according to accumulator bit width bounds that we derive. Thus, in training QNNs for low-precision accumulation, A2Q also inherently promotes unstructured weight sparsity to guarantee overflow avoidance. We apply our method to deep learning-based computer vision tasks to show that A2Q can train QNNs for low-precision accumulators while maintaining model accuracy competitive with a floating-point baseline. In our evaluations, we consider the impact of A2Q on both general-purpose platforms and programmable hardware. However, we primarily target model deployment on FPGAs because they can be programmed to fully exploit custom accumulator bit widths. Our experimentation shows accumulator bit width significantly impacts the resource efficiency of FPGA-based accelerators. On average across our benchmarks, A2Q offers up to a 2.3x reduction in resource utilization over 32-bit accumulator counterparts with 99.2% of the floating-point model accuracy.

Automated assembly of 3D fractures is essential in orthopedics, archaeology, and our daily life. This paper presents Jigsaw, a novel framework for assembling physically broken 3D objects from multiple pieces. Our approach leverages hierarchical features of global and local geometry to match and align the fracture surfaces. Our framework consists of four components: (1) front-end point feature extractor with attention layers, (2) surface segmentation to separate fracture and original parts, (3) multi-parts matching to find correspondences among fracture surface points, and (4) robust global alignment to recover the global poses of the pieces. We show how to jointly learn segmentation and matching and seamlessly integrate feature matching and rigidity constraints. We evaluate Jigsaw on the Breaking Bad dataset and achieve superior performance compared to state-of-the-art methods. Our method also generalizes well to diverse fracture modes, objects, and unseen instances. To the best of our knowledge, this is the first learning-based method designed specifically for 3D fracture assembly over multiple pieces. Our code is available at https://jiaxin-lu.github.io/Jigsaw/.

Interpretability is becoming an active research topic as machine learning (ML) models are more widely used to make critical decisions. Tabular data is one of the most commonly used modes of data in diverse applications such as healthcare and finance. Much of the existing interpretability methods used for tabular data only report feature-importance scores -- either locally (per example) or globally (per model) -- but they do not provide interpretation or visualization of how the features interact. We address this limitation by introducing Feature Vectors, a new global interpretability method designed for tabular datasets. In addition to providing feature-importance, Feature Vectors discovers the inherent semantic relationship among features via an intuitive feature visualization technique. Our systematic experiments demonstrate the empirical utility of this new method by applying it to several real-world datasets. We further provide an easy-to-use Python package for Feature Vectors.

We investigate the expressive power of depth-2 bandlimited random neural networks. A random net is a neural network where the hidden layer parameters are frozen with random assignment, and only the output layer parameters are trained by loss minimization. Using random weights for a hidden layer is an effective method to avoid non-convex optimization in standard gradient descent learning. It has also been adopted in recent deep learning theories. Despite the well-known fact that a neural network is a universal approximator, in this study, we mathematically show that when hidden parameters are distributed in a bounded domain, the network may not achieve zero approximation error. In particular, we derive a new nontrivial approximation error lower bound. The proof utilizes the technique of ridgelet analysis, a harmonic analysis method designed for neural networks. This method is inspired by fundamental principles in classical signal processing, specifically the idea that signals with limited bandwidth may not always be able to perfectly recreate the original signal. We corroborate our theoretical results with various simulation studies, and generally, two main take-home messages are offered: (i) Not any distribution for selecting random weights is feasible to build a universal approximator; (ii) A suitable assignment of random weights exists but to some degree is associated with the complexity of the target function.

Spreadsheets, with their extensive two-dimensional grids, various layouts, and diverse formatting options, present notable challenges for large language models (LLMs). In response, we introduce SpreadsheetLLM, pioneering an efficient encoding method designed to unleash and optimize LLMs' powerful understanding and reasoning capability on spreadsheets. Initially, we propose a vanilla serialization approach that incorporates cell addresses, values, and formats. However, this approach was limited by LLMs' token constraints, making it impractical for most applications. To tackle this challenge, we develop SheetCompressor, an innovative encoding framework that compresses spreadsheets effectively for LLMs. It comprises three modules: structural-anchor-based compression, inverse index translation, and data-format-aware aggregation. It significantly improves performance in spreadsheet table detection task, outperforming the vanilla approach by 25.6% in GPT4's in-context learning setting. Moreover, fine-tuned LLM with SheetCompressor has an average compression ratio of 25 times, but achieves a state-of-the-art 78.9% F1 score, surpassing the best existing models by 12.3%. Finally, we propose Chain of Spreadsheet for downstream tasks of spreadsheet understanding and validate in a new and demanding spreadsheet QA task. We methodically leverage the inherent layout and structure of spreadsheets, demonstrating that SpreadsheetLLM is highly effective across a variety of spreadsheet tasks.

In recent years, notable advancements have been made in the domain of visual document understanding, with the prevailing architecture comprising a cascade of vision and language models. The text component can either be extracted explicitly with the use of external OCR models in OCR-based approaches, or alternatively, the vision model can be endowed with reading capabilities in OCR-free approaches. Typically, the queries to the model are input exclusively to the language component, necessitating the visual features to encompass the entire document. In this paper, we present VisFocus, an OCR-free method designed to better exploit the vision encoder's capacity by coupling it directly with the language prompt. To do so, we replace the down-sampling layers with layers that receive the input prompt and allow highlighting relevant parts of the document, while disregarding others. We pair the architecture enhancements with a novel pre-training task, using language masking on a snippet of the document text fed to the visual encoder in place of the prompt, to empower the model with focusing capabilities. Consequently, VisFocus learns to allocate its attention to text patches pertinent to the provided prompt. Our experiments demonstrate that this prompt-guided visual encoding approach significantly improves performance, achieving state-of-the-art results on various benchmarks.

Customization techniques for text-to-image models have paved the way for a wide range of previously unattainable applications, enabling the generation of specific concepts across diverse contexts and styles. While existing methods facilitate high-fidelity customization for individual concepts or a limited, pre-defined set of them, they fall short of achieving scalability, where a single model can seamlessly render countless concepts. In this paper, we address a new problem called Modular Customization, with the goal of efficiently merging customized models that were fine-tuned independently for individual concepts. This allows the merged model to jointly synthesize concepts in one image without compromising fidelity or incurring any additional computational costs. To address this problem, we introduce Orthogonal Adaptation, a method designed to encourage the customized models, which do not have access to each other during fine-tuning, to have orthogonal residual weights. This ensures that during inference time, the customized models can be summed with minimal interference. Our proposed method is both simple and versatile, applicable to nearly all optimizable weights in the model architecture. Through an extensive set of quantitative and qualitative evaluations, our method consistently outperforms relevant baselines in terms of efficiency and identity preservation, demonstrating a significant leap toward scalable customization of diffusion models.

Diffusion Transformers have demonstrated remarkable capabilities in image generation but often come with excessive parameterization, resulting in considerable inference overhead in real-world applications. In this work, we present TinyFusion, a depth pruning method designed to remove redundant layers from diffusion transformers via end-to-end learning. The core principle of our approach is to create a pruned model with high recoverability, allowing it to regain strong performance after fine-tuning. To accomplish this, we introduce a differentiable sampling technique to make pruning learnable, paired with a co-optimized parameter to simulate future fine-tuning. While prior works focus on minimizing loss or error after pruning, our method explicitly models and optimizes the post-fine-tuning performance of pruned models. Experimental results indicate that this learnable paradigm offers substantial benefits for layer pruning of diffusion transformers, surpassing existing importance-based and error-based methods. Additionally, TinyFusion exhibits strong generalization across diverse architectures, such as DiTs, MARs, and SiTs. Experiments with DiT-XL show that TinyFusion can craft a shallow diffusion transformer at less than 7% of the pre-training cost, achieving a 2times speedup with an FID score of 2.86, outperforming competitors with comparable efficiency. Code is available at https://github.com/VainF/TinyFusion.

Large language models (LLMs) have seen rapid development in recent years, revolutionizing various applications and significantly enhancing convenience and productivity. However, alongside their impressive capabilities, ethical concerns and new types of attacks, such as jailbreaking, have emerged. While most prompting techniques focus on optimizing adversarial inputs for individual cases, resulting in higher computational costs when dealing with large datasets. Less research has addressed the more general setting of training a universal attacker that can transfer to unseen tasks. In this paper, we introduce JUMP, a prompt-based method designed to jailbreak LLMs using universal multi-prompts. We also adapt our approach for defense, which we term DUMP. Experimental results demonstrate that our method for optimizing universal multi-prompts outperforms existing techniques.

Recent advancements in real-time neural rendering using point-based techniques have paved the way for the widespread adoption of 3D representations. However, foundational approaches like 3D Gaussian Splatting come with a substantial storage overhead caused by growing the SfM points to millions, often demanding gigabyte-level disk space for a single unbounded scene, posing significant scalability challenges and hindering the splatting efficiency. To address this challenge, we introduce LightGaussian, a novel method designed to transform 3D Gaussians into a more efficient and compact format. Drawing inspiration from the concept of Network Pruning, LightGaussian identifies Gaussians that are insignificant in contributing to the scene reconstruction and adopts a pruning and recovery process, effectively reducing redundancy in Gaussian counts while preserving visual effects. Additionally, LightGaussian employs distillation and pseudo-view augmentation to distill spherical harmonics to a lower degree, allowing knowledge transfer to more compact representations while maintaining reflectance. Furthermore, we propose a hybrid scheme, VecTree Quantization, to quantize all attributes, resulting in lower bitwidth representations with minimal accuracy losses. In summary, LightGaussian achieves an averaged compression rate over 15x while boosting the FPS from 139 to 215, enabling an efficient representation of complex scenes on Mip-NeRF 360, Tank and Temple datasets. Project website: https://lightgaussian.github.io/

Knowledge editing (KE) methods offer an efficient way to modify knowledge in large language models. Current KE evaluations typically assess editing success by considering only the edited knowledge without any preceding contexts. In real-world applications, however, preceding contexts often trigger the retrieval of the original knowledge and undermine the intended edit. To address this issue, we develop CHED -- a benchmark designed to evaluate the context robustness of KE methods. Evaluations on CHED show that they often fail when preceding contexts are present. To mitigate this shortcoming, we introduce CoRE, a KE method designed to strengthen context robustness by minimizing context-sensitive variance in hidden states of the model for edited knowledge. This method not only improves the editing success rate in situations where a preceding context is present but also preserves the overall capabilities of the model. We provide an in-depth analysis of the differing impacts of preceding contexts when introduced as user utterances versus assistant responses, and we dissect attention-score patterns to assess how specific tokens influence editing success.

The need for effective unlearning mechanisms in large language models (LLMs) is increasingly urgent, driven by the necessity to adhere to data regulations and foster ethical generative AI practices. Despite growing interest of LLM unlearning, much of the existing research has focused on varied unlearning method designs to boost effectiveness and efficiency. However, the inherent relationship between model weights and LLM unlearning has not been extensively examined. In this paper, we systematically explore how model weights interact with unlearning processes in LLMs and we design the weight attribution-guided LLM unlearning method, WAGLE, which unveils the interconnections between 'influence' of weights and 'influence' of data to forget and retain in LLM generation. By strategically guiding the LLM unlearning across different types of unlearning methods and tasks, WAGLE can erase the undesired content, while maintaining the performance of the original tasks. We refer to the weight attribution-guided LLM unlearning method as WAGLE, which unveils the interconnections between 'influence' of weights and 'influence' of data to forget and retain in LLM generation. Our extensive experiments show that WAGLE boosts unlearning performance across a range of LLM unlearning methods such as gradient difference and (negative) preference optimization, applications such as fictitious unlearning, malicious use prevention, and copyrighted information removal, and models including Zephyr-7b-beta and Llama2-7b. To the best of our knowledge, our work offers the first principled method for attributing and pinpointing the influential weights in enhancing LLM unlearning. It stands in contrast to previous methods that lack weight attribution and simpler weight attribution techniques.

The recent development of reasoning language models (RLMs) represents a novel evolution in large language models. In particular, the recent release of DeepSeek-R1 has generated widespread social impact and sparked enthusiasm in the research community for exploring the explicit reasoning paradigm of language models. However, the implementation details of the released models have not been fully open-sourced by DeepSeek, including DeepSeek-R1-Zero, DeepSeek-R1, and the distilled small models. As a result, many replication studies have emerged aiming to reproduce the strong performance achieved by DeepSeek-R1, reaching comparable performance through similar training procedures and fully open-source data resources. These works have investigated feasible strategies for supervised fine-tuning (SFT) and reinforcement learning from verifiable rewards (RLVR), focusing on data preparation and method design, yielding various valuable insights. In this report, we provide a summary of recent replication studies to inspire future research. We primarily focus on SFT and RLVR as two main directions, introducing the details for data construction, method design and training procedure of current replication studies. Moreover, we conclude key findings from the implementation details and experimental results reported by these studies, anticipating to inspire future research. We also discuss additional techniques of enhancing RLMs, highlighting the potential of expanding the application scope of these models, and discussing the challenges in development. By this survey, we aim to help researchers and developers of RLMs stay updated with the latest advancements, and seek to inspire new ideas to further enhance RLMs.

Large Language Models (LLMs) have revolutionized the field of natural language processing, achieving unprecedented performance across a variety of applications by leveraging increased model sizes and sequence lengths. However, the associated rise in computational and memory costs poses significant challenges, particularly in managing long sequences due to the quadratic complexity of the transformer attention mechanism. This paper focuses on the long-context scenario, addressing the inefficiencies in KV cache memory consumption during inference. Unlike existing approaches that optimize the memory based on the sequence lengths, we uncover that the channel dimension of the KV cache exhibits significant redundancy, characterized by unbalanced magnitude distribution and low-rank structure in attention weights. Based on these observations, we propose ThinK, a novel query-dependent KV cache pruning method designed to minimize attention weight loss while selectively pruning the least significant channels. Our approach not only maintains or enhances model accuracy but also achieves a reduction in memory costs by over 20% compared with vanilla KV cache eviction methods. Extensive evaluations on the LLaMA3 and Mistral models across various long-sequence datasets confirm the efficacy of ThinK, setting a new precedent for efficient LLM deployment without compromising performance. We also outline the potential of extending our method to value cache pruning, demonstrating ThinK's versatility and broad applicability in reducing both memory and computational overheads.

Recent advancements in both representation learning and function learning have demonstrated substantial promise across diverse domains of artificial intelligence. However, the effective integration of these paradigms poses a significant challenge, particularly in cases where users must manually decide whether to apply a representation learning or function learning model based on dataset characteristics. To address this issue, we introduce MLP-KAN, a unified method designed to eliminate the need for manual model selection. By integrating Multi-Layer Perceptrons (MLPs) for representation learning and Kolmogorov-Arnold Networks (KANs) for function learning within a Mixture-of-Experts (MoE) architecture, MLP-KAN dynamically adapts to the specific characteristics of the task at hand, ensuring optimal performance. Embedded within a transformer-based framework, our work achieves remarkable results on four widely-used datasets across diverse domains. Extensive experimental evaluation demonstrates its superior versatility, delivering competitive performance across both deep representation and function learning tasks. These findings highlight the potential of MLP-KAN to simplify the model selection process, offering a comprehensive, adaptable solution across various domains. Our code and weights are available at https://github.com/DLYuanGod/MLP-KAN.

In this study, we identify the inefficient attention phenomena in Large Vision-Language Models (LVLMs), notably within prominent models like LLaVA-1.5, QwenVL-Chat and Video-LLaVA. We find out that the attention computation over visual tokens is of extreme inefficiency in the deep layers of popular LVLMs, suggesting a need for a sparser approach compared to textual data handling. To this end, we introduce FastV, a versatile plug-and-play method designed to optimize computational efficiency by learning adaptive attention patterns in early layers and pruning visual tokens in subsequent ones. Our evaluations demonstrate FastV's ability to dramatically reduce computational costs (e.g., a 45 reduction in FLOPs for LLaVA-1.5-13B) without sacrificing performance in a wide range of image and video understanding tasks. The computational efficiency and performance trade-off of FastV are highly customizable and pareto-efficient. It can compress the FLOPs of a 13B-parameter model to achieve a lower budget than that of a 7B-parameter model, while still maintaining superior performance. We believe FastV has practical values for deployment of LVLMs in edge devices and commercial models. Code is released at https://github.com/pkunlp-icler/FastV.

The computational challenges of Large Language Model (LLM) inference remain a significant barrier to their widespread deployment, especially as prompt lengths continue to increase. Due to the quadratic complexity of the attention computation, it takes 30 minutes for an 8B LLM to process a prompt of 1M tokens (i.e., the pre-filling stage) on a single A100 GPU. Existing methods for speeding up prefilling often fail to maintain acceptable accuracy or efficiency when applied to long-context LLMs. To address this gap, we introduce MInference (Milliontokens Inference), a sparse calculation method designed to accelerate pre-filling of long-sequence processing. Specifically, we identify three unique patterns in long-context attention matrices-the A-shape, Vertical-Slash, and Block-Sparsethat can be leveraged for efficient sparse computation on GPUs. We determine the optimal pattern for each attention head offline and dynamically build sparse indices based on the assigned pattern during inference. With the pattern and sparse indices, we perform efficient sparse attention calculations via our optimized GPU kernels to significantly reduce the latency in the pre-filling stage of long-context LLMs. Our proposed technique can be directly applied to existing LLMs without any modifications to the pre-training setup or additional fine-tuning. By evaluating on a wide range of downstream tasks, including InfiniteBench, RULER, PG-19, and Needle In A Haystack, and models including LLaMA-3-1M, GLM4-1M, Yi-200K, Phi-3-128K, and Qwen2-128K, we demonstrate that MInference effectively reduces inference latency by up to 10x for pre-filling on an A100, while maintaining accuracy. Our code is available at https://aka.ms/MInference.

While large language models (LLMs) excel at handling long-context sequences, they require substantial key-value (KV) caches to store contextual information, which can heavily burden computational efficiency and memory usage. Previous efforts to compress these KV caches primarily focused on reducing memory demands but were limited in enhancing latency. To address this issue, we introduce FastKV, a KV cache compression method designed to enhance latency for long-context sequences. To enhance processing speeds while maintaining accuracy, FastKV adopts a novel Token-Selective Propagation (TSP) approach that retains the full context information in the initial layers of LLMs and selectively propagates only a portion of this information in deeper layers even in the prefill stage. Additionally, FastKV incorporates grouped-query attention (GQA)-aware KV cache compression to exploit the advantages of GQA in both memory and computational efficiency. Our experimental results show that FastKV achieves 2.00times and 1.40times improvements in time-to-first-token (TTFT) and throughput, respectively, compared to HeadKV, the state-of-the-art KV cache compression method. Moreover, FastKV successfully maintains accuracy on long-context benchmarks at levels comparable to the baselines. Our code is available at https://github.com/dongwonjo/FastKV.

The alignment of large language models (LLMs) with human preferences remains a key challenge. While post-training techniques like Reinforcement Learning from Human Feedback (RLHF) and Direct Preference Optimization (DPO) have achieved notable success, they often introduce computational inefficiencies and training instability. In this paper, we propose Feature-level constrained Preference Optimization (FPO), a novel method designed to simplify the alignment process while ensuring stability. FPO leverages pre-trained Sparse Autoencoders (SAEs) and introduces feature-level constraints, allowing for efficient, sparsity-enforced alignment. Our approach enjoys efficiency by using sparse features activated in a well-trained sparse autoencoder and the quality of sequential KL divergence by using the feature-level offline reference. Experimental results on benchmark datasets demonstrate that FPO achieves a 5.08% absolute improvement in win rate with much lower computational cost compared to state-of-the-art baselines, making it a promising solution for efficient and controllable LLM alignments.

The deployment of Large Language Models (LLMs) on edge devices is increasingly important to enhance on-device intelligence. Weight quantization is crucial for reducing the memory footprint of LLMs on devices. However, low-bit LLMs necessitate mixed precision matrix multiplication (mpGEMM) of low precision weights and high precision activations during inference. Existing systems, lacking native support for mpGEMM, resort to dequantize weights for high precision computation. Such an indirect way can lead to a significant inference overhead. In this paper, we introduce T-MAC, an innovative lookup table(LUT)-based method designed for efficient low-bit LLM (i.e., weight-quantized LLM) inference on CPUs. T-MAC directly supports mpGEMM without dequantization, while simultaneously eliminating multiplications and reducing additions required. Specifically, T-MAC transforms the traditional data-type-centric multiplication to bit-wise table lookup, and enables a unified and scalable mpGEMM solution. Our LUT-based kernels scale linearly to the weight bit-width. Evaluated on low-bit Llama and BitNet models, T-MAC demonstrates up to 4x increase in throughput and 70% reduction in energy consumption compared to llama.cpp. For BitNet-b1.58-3B, T-MAC delivers a token generation throughput of 30 tokens/s with a single core and 71 tokens/s with eight cores on M2-Ultra, and 11 tokens/s on lower-end devices like Raspberry Pi 5, which significantly exceeds the adult average reading speed. T-MAC with LUT-based computing paradigm, paves the way for the practical deployment of low-bit LLMs on resource-constrained edge devices without compromising computational efficiency. The system is open-sourced at https://github.com/microsoft/T-MAC.

Linear attention mechanisms deliver significant advantages for Large Language Models (LLMs) by providing linear computational complexity, enabling efficient processing of ultra-long sequences (e.g., 1M context). However, existing Sequence Parallelism (SP) methods, essential for distributing these workloads across devices, become the primary bottleneck due to substantial communication overhead. In this paper, we introduce ZeCO (Zero Communication Overhead) sequence parallelism for linear attention models, a new SP method designed to overcome these limitations and achieve end-to-end near-linear scalability for long sequence training. For example, training a model with a 1M sequence length across 64 devices using ZeCO takes roughly the same time as training with an 16k sequence on a single device. At the heart of ZeCO lies All-Scan, a new collective communication primitive. All-Scan provides each SP rank with precisely the initial operator state it requires while maintaining a minimal communication footprint, effectively eliminating communication overhead. Theoretically, we prove the optimaity of ZeCO, showing that it introduces only negligible time and space overhead. Empirically, we compare the communication costs of different sequence parallelism strategies and demonstrate that All-Scan achieves the fastest communication in SP scenarios. Specifically, on 256 GPUs with an 8M sequence length, ZeCO achieves a 60\% speedup compared to the current state-of-the-art (SOTA) SP method. We believe ZeCO establishes a clear path toward efficiently training next-generation LLMs on previously intractable sequence lengths.

Text-to-image (T2I) diffusion models have demonstrated impressive image generation capabilities. Still, their computational intensity prohibits resource-constrained organizations from deploying T2I models after fine-tuning them on their internal target data. While pruning techniques offer a potential solution to reduce the computational burden of T2I models, static pruning methods use the same pruned model for all input prompts, overlooking the varying capacity requirements of different prompts. Dynamic pruning addresses this issue by utilizing a separate sub-network for each prompt, but it prevents batch parallelism on GPUs. To overcome these limitations, we introduce Adaptive Prompt-Tailored Pruning (APTP), a novel prompt-based pruning method designed for T2I diffusion models. Central to our approach is a prompt router model, which learns to determine the required capacity for an input text prompt and routes it to an architecture code, given a total desired compute budget for prompts. Each architecture code represents a specialized model tailored to the prompts assigned to it, and the number of codes is a hyperparameter. We train the prompt router and architecture codes using contrastive learning, ensuring that similar prompts are mapped to nearby codes. Further, we employ optimal transport to prevent the codes from collapsing into a single one. We demonstrate APTP's effectiveness by pruning Stable Diffusion (SD) V2.1 using CC3M and COCO as target datasets. APTP outperforms the single-model pruning baselines in terms of FID, CLIP, and CMMD scores. Our analysis of the clusters learned by APTP reveals they are semantically meaningful. We also show that APTP can automatically discover previously empirically found challenging prompts for SD, e.g., prompts for generating text images, assigning them to higher capacity codes.

Recent advancements in text-guided image editing have achieved notable success by leveraging natural language prompts for fine-grained semantic control. However, certain editing semantics are challenging to specify precisely using textual descriptions alone. A practical alternative involves learning editing semantics from paired source-target examples. Existing exemplar-based editing methods still rely on text prompts describing the change within paired examples or learning implicit text-based editing instructions. In this paper, we introduce PairEdit, a novel visual editing method designed to effectively learn complex editing semantics from a limited number of image pairs or even a single image pair, without using any textual guidance. We propose a target noise prediction that explicitly models semantic variations within paired images through a guidance direction term. Moreover, we introduce a content-preserving noise schedule to facilitate more effective semantic learning. We also propose optimizing distinct LoRAs to disentangle the learning of semantic variations from content. Extensive qualitative and quantitative evaluations demonstrate that PairEdit successfully learns intricate semantics while significantly improving content consistency compared to baseline methods. Code will be available at https://github.com/xudonmao/PairEdit.

Alignment and uniformity are fundamental principles within the domain of contrastive learning. In recommender systems, prior work has established that optimizing the Bayesian Personalized Ranking (BPR) loss contributes to the objectives of alignment and uniformity. Specifically, alignment aims to draw together the representations of interacting users and items, while uniformity mandates a uniform distribution of user and item embeddings across a unit hypersphere. This study revisits the alignment and uniformity properties within the context of multimodal recommender systems, revealing a proclivity among extant models to prioritize uniformity to the detriment of alignment. Our hypothesis challenges the conventional assumption of equitable item treatment through a uniformity loss, proposing a more nuanced approach wherein items with similar multimodal attributes converge toward proximal representations within the hyperspheric manifold. Specifically, we leverage the inherent similarity between items' multimodal data to calibrate their uniformity distribution, thereby inducing a more pronounced repulsive force between dissimilar entities within the embedding space. A theoretical analysis elucidates the relationship between this calibrated uniformity loss and the conventional uniformity function. Moreover, to enhance the fusion of multimodal features, we introduce a Spherical B\'ezier method designed to integrate an arbitrary number of modalities while ensuring that the resulting fused features are constrained to the same hyperspherical manifold. Empirical evaluations conducted on five real-world datasets substantiate the superiority of our approach over competing baselines. We also shown that the proposed methods can achieve up to a 5.4% increase in NDCG@20 performance via the integration of MLLM-extracted features. Source code is available at: https://github.com/enoche/CM3.

Model routing allocates queries to the suitable model, improving system performance while reducing costs. However, existing routing methods face practical limitations that hinder scalability in large-scale applications and struggle to keep up with the rapid growth of the large language model (LLM) ecosystem. To tackle these challenges, we propose TagRouter, a training-free model routing method designed to optimize the synergy among multiple LLMs for open-domain text generation tasks. Experimental results demonstrate that TagRouter outperforms 13 baseline methods, increasing the accept rate of system by 6.15% and reducing costs by 17.20%, achieving optimal cost-efficiency. Our findings provides the LLM community with an efficient and scalable solution for model ensembling, offering users an evolvable "super model."

Histopathology and transcriptomics are fundamental modalities in oncology, encapsulating the morphological and molecular aspects of the disease. Multi-modal self-supervised learning has demonstrated remarkable potential in learning pathological representations by integrating diverse data sources. Conventional multi-modal integration methods primarily emphasize modality alignment, while paying insufficient attention to retaining the modality-specific structures. However, unlike conventional scenarios where multi-modal inputs share highly overlapping features, histopathology and transcriptomics exhibit pronounced heterogeneity, offering orthogonal yet complementary insights. Histopathology provides morphological and spatial context, elucidating tissue architecture and cellular topology, whereas transcriptomics delineates molecular signatures through gene expression patterns. This inherent disparity introduces a major challenge in aligning them while maintaining modality-specific fidelity. To address these challenges, we present MIRROR, a novel multi-modal representation learning method designed to foster both modality alignment and retention. MIRROR employs dedicated encoders to extract comprehensive features for each modality, which is further complemented by a modality alignment module to achieve seamless integration between phenotype patterns and molecular profiles. Furthermore, a modality retention module safeguards unique attributes from each modality, while a style clustering module mitigates redundancy and enhances disease-relevant information by modeling and aligning consistent pathological signatures within a clustering space. Extensive evaluations on TCGA cohorts for cancer subtyping and survival analysis highlight MIRROR's superior performance, demonstrating its effectiveness in constructing comprehensive oncological feature representations and benefiting the cancer diagnosis.

In recent times, the need for effective super-resolution (SR) techniques has surged, especially for large-scale images ranging 2K to 8K resolutions. For DNN-based SISR, decomposing images into overlapping patches is typically necessary due to computational constraints. In such patch-decomposing scheme, one can allocate computational resources differently based on each patch's difficulty to further improve efficiency while maintaining SR performance. However, this approach has a limitation: computational resources is uniformly allocated within a patch, leading to lower efficiency when the patch contain pixels with varying levels of restoration difficulty. To address the issue, we propose the Pixel-level Classifier for Single Image Super-Resolution (PCSR), a novel method designed to distribute computational resources adaptively at the pixel level. A PCSR model comprises a backbone, a pixel-level classifier, and a set of pixel-level upsamplers with varying capacities. The pixel-level classifier assigns each pixel to an appropriate upsampler based on its restoration difficulty, thereby optimizing computational resource usage. Our method allows for performance and computational cost balance during inference without re-training. Our experiments demonstrate PCSR's advantage over existing patch-distributing methods in PSNR-FLOP trade-offs across different backbone models and benchmarks. The code is available at https://github.com/3587jjh/PCSR.

Instruction Tuning has the potential to stimulate or enhance specific capabilities of large language models (LLMs). However, achieving the right balance of data is crucial to prevent catastrophic forgetting and interference between tasks. To address these limitations and enhance training flexibility, we propose the Mixture-of-LoRAs (MoA) architecture which is a novel and parameter-efficient tuning method designed for multi-task learning with LLMs. In this paper, we start by individually training multiple domain-specific LoRA modules using corresponding supervised corpus data. These LoRA modules can be aligned with the expert design principles observed in Mixture-of-Experts (MoE). Subsequently, we combine the multiple LoRAs using an explicit routing strategy and introduce domain labels to facilitate multi-task learning, which help prevent interference between tasks and ultimately enhances the performance of each individual task. Furthermore, each LoRA model can be iteratively adapted to a new domain, allowing for quick domain-specific adaptation. Experiments on diverse tasks demonstrate superior and robust performance, which can further promote the wide application of domain-specific LLMs.

Large Language Models (LLMs) excel in NLP, but their demands hinder their widespread deployment. While Quantization-Aware Training (QAT) offers a solution, its extensive training costs make Post-Training Quantization (PTQ) a more practical approach for LLMs. In existing studies, activation outliers in particular channels are identified as the bottleneck to PTQ accuracy. They propose to transform the magnitudes from activations to weights, which however offers limited alleviation or suffers from unstable gradients, resulting in a severe performance drop at low-bitwidth. In this paper, we propose QLLM, an accurate and efficient low-bitwidth PTQ method designed for LLMs. QLLM introduces an adaptive channel reassembly technique that reallocates the magnitude of outliers to other channels, thereby mitigating their impact on the quantization range. This is achieved by channel disassembly and channel assembly, which first breaks down the outlier channels into several sub-channels to ensure a more balanced distribution of activation magnitudes. Then similar channels are merged to maintain the original channel number for efficiency. Additionally, an adaptive strategy is designed to autonomously determine the optimal number of sub-channels for channel disassembly. To further compensate for the performance loss caused by quantization, we propose an efficient tuning method that only learns a small number of low-rank weights while freezing the pre-trained quantized model. After training, these low-rank parameters can be fused into the frozen weights without affecting inference. Extensive experiments on LLaMA-1 and LLaMA-2 show that QLLM can obtain accurate quantized models efficiently. For example, QLLM quantizes the 4-bit LLaMA-2-70B within 10 hours on a single A100-80G GPU, outperforming the previous state-of-the-art method by 7.89% on the average accuracy across five zero-shot tasks.

Large Language Models (LLMs) have demonstrated impressive capabilities, but their high computational costs pose challenges for customization. Model merging offers a cost-effective alternative, yet existing methods suffer from interference among parameters, leading to performance degradation. In this work, we propose Optimal Brain Iterative Merging (OBIM), a novel method designed to mitigate both intra-model and inter-model interference. OBIM consists of two key components: (1) A saliency measurement mechanism that evaluates parameter importance based on loss changes induced by individual weight alterations, reducing intra-model interference by preserving only high-saliency parameters. (2) A mutually exclusive iterative merging framework, which incrementally integrates models using a binary mask to avoid direct parameter averaging, thereby mitigating inter-model interference. We validate OBIM through experiments on both Supervised Fine-Tuned (SFT) models and post-pretrained checkpoints. The results show that OBIM significantly outperforms existing merging techniques. Overall, OBIM provides an effective and practical solution for enhancing LLM merging.

Preference optimization for diffusion models aims to align them with human preferences for images. Previous methods typically leverage Vision-Language Models (VLMs) as pixel-level reward models to approximate human preferences. However, when used for step-level preference optimization, these models face challenges in handling noisy images of different timesteps and require complex transformations into pixel space. In this work, we demonstrate that diffusion models are inherently well-suited for step-level reward modeling in the latent space, as they can naturally extract features from noisy latent images. Accordingly, we propose the Latent Reward Model (LRM), which repurposes components of diffusion models to predict preferences of latent images at various timesteps. Building on LRM, we introduce Latent Preference Optimization (LPO), a method designed for step-level preference optimization directly in the latent space. Experimental results indicate that LPO not only significantly enhances performance in aligning diffusion models with general, aesthetic, and text-image alignment preferences, but also achieves 2.5-28times training speedup compared to existing preference optimization methods. Our code will be available at https://github.com/casiatao/LPO.

Retrieval-augmented generation (RAG) enhances large language models (LLMs) by integrating external knowledge retrieved from a knowledge base. However, its effectiveness is fundamentally constrained by the reliability of both the retriever and the knowledge base. In real-world scenarios, imperfections in these components often lead to the retrieval of noisy, irrelevant, or misleading counterfactual information, ultimately undermining the trustworthiness of RAG systems. To address this challenge, we propose Robust Fine-Tuning (RbFT), a method designed to enhance the resilience of LLMs against retrieval defects through two targeted fine-tuning tasks. Experimental results demonstrate that RbFT significantly improves the robustness of RAG systems across diverse retrieval conditions, surpassing existing methods while maintaining high inference efficiency and compatibility with other robustness techniques.

Existing low-rank adaptation (LoRA) methods face challenges on sparse large language models (LLMs) due to the inability to maintain sparsity. Recent works introduced methods that maintain sparsity by augmenting LoRA techniques with additional masking mechanisms. Despite these successes, such approaches suffer from an increased memory and computation overhead, which affects efficiency of LoRA methods. In response to this limitation, we introduce LoRS, an innovative method designed to achieve both memory and computation efficiency when fine-tuning sparse LLMs. To mitigate the substantial memory and computation demands associated with preserving sparsity, our approach incorporates strategies of weight recompute and computational graph rearrangement. In addition, we also improve the effectiveness of LoRS through better adapter initialization. These innovations lead to a notable reduction in memory and computation consumption during the fine-tuning phase, all while achieving performance levels that outperform existing LoRA approaches.

In text-to-image (T2I) generation applications, negative embeddings have proven to be a simple yet effective approach for enhancing generation quality. Typically, these negative embeddings are derived from user-defined negative prompts, which, while being functional, are not necessarily optimal. In this paper, we introduce ReNeg, an end-to-end method designed to learn improved Negative embeddings guided by a Reward model. We employ a reward feedback learning framework and integrate classifier-free guidance (CFG) into the training process, which was previously utilized only during inference, thus enabling the effective learning of negative embeddings. We also propose two strategies for learning both global and per-sample negative embeddings. Extensive experiments show that the learned negative embedding significantly outperforms null-text and handcrafted counterparts, achieving substantial improvements in human preference alignment. Additionally, the negative embedding learned within the same text embedding space exhibits strong generalization capabilities. For example, using the same CLIP text encoder, the negative embedding learned on SD1.5 can be seamlessly transferred to text-to-image or even text-to-video models such as ControlNet, ZeroScope, and VideoCrafter2, resulting in consistent performance improvements across the board.

In this paper, we introduce PruneVid, a visual token pruning method designed to enhance the efficiency of multi-modal video understanding. Large Language Models (LLMs) have shown promising performance in video tasks due to their extended capabilities in comprehending visual modalities. However, the substantial redundancy in video data presents significant computational challenges for LLMs. To address this issue, we introduce a training-free method that 1) minimizes video redundancy by merging spatial-temporal tokens, and 2) leverages LLMs' reasoning capabilities to selectively prune visual features relevant to question tokens, enhancing model efficiency. We validate our method across multiple video benchmarks, which demonstrate that PruneVid can prune over 80% of tokens while maintaining competitive performance combined with different model networks. This highlights its superior effectiveness and efficiency compared to existing pruning methods. Code: https://github.com/Visual-AI/PruneVid.

Artificial intelligence has advanced in Medical Visual Question Answering (Med-VQA), but prevalent research tends to focus on the accuracy of the answers, often overlooking the reasoning paths and interpretability, which are crucial in clinical settings. Besides, current Med-VQA algorithms, typically reliant on singular models, lack the robustness needed for real-world medical diagnostics which usually require collaborative expert evaluation. To address these shortcomings, this paper presents MedCoT, a novel hierarchical expert verification reasoning chain method designed to enhance interpretability and accuracy in biomedical imaging inquiries. MedCoT is predicated on two principles: The necessity for explicit reasoning paths in Med-VQA and the requirement for multi-expert review to formulate accurate conclusions. The methodology involves an Initial Specialist proposing diagnostic rationales, followed by a Follow-up Specialist who validates these rationales, and finally, a consensus is reached through a vote among a sparse Mixture of Experts within the locally deployed Diagnostic Specialist, which then provides the definitive diagnosis. Experimental evaluations on four standard Med-VQA datasets demonstrate that MedCoT surpasses existing state-of-the-art approaches, providing significant improvements in performance and interpretability.

The Single-Turn Crescendo Attack (STCA), first introduced in Aqrawi and Abbasi [2024], is an innovative method designed to bypass the ethical safeguards of text-to-text AI models, compelling them to generate harmful content. This technique leverages a strategic escalation of context within a single prompt, combined with trust-building mechanisms, to subtly deceive the model into producing unintended outputs. Extending the application of STCA to text-to-image models, we demonstrate its efficacy by compromising the guardrails of a widely-used model, DALL-E 3, achieving outputs comparable to outputs from the uncensored model Flux Schnell, which served as a baseline control. This study provides a framework for researchers to rigorously evaluate the robustness of guardrails in text-to-image models and benchmark their resilience against adversarial attacks.

Recent works integrating Knowledge Graphs (KGs) have led to promising improvements in enhancing the reasoning accuracy of Large Language Models (LLMs). However, current benchmarks focus mainly on closed-ended tasks, leaving a gap in the assessment of more complex real-world scenarios. This gap has also obscured the evaluation of KGs' potential to mitigate the problem of hallucination in LLMs. To fill the gap, we introduce OKGQA, a new benchmark specifically designed to assess LLMs enhanced with KGs under open-ended, real-world question answering scenarios. OKGQA is designed to closely reflect the complexities of practical applications using questions from different types, and incorporates specific metrics to measure both hallucination ratio and the enhancement in reasoning capabilities. To consider the scenario in which KGs may have varying levels of mistakes, we propose another benchmark variant OKGQA-P to assess model performance when the semantics and structure of KGs are deliberately perturbed and contaminated. OKGQA aims to (1) explore whether KGs can make LLMs more trustworthy in an open-ended setting, and (2) conduct a comparative analysis to shed light on method design. We believe that this study can facilitate a more complete performance comparison and encourage continuous improvement in integrating KGs with LLMs to reduce hallucination.

In modern commercial systems, including Recommendation, Ranking, and E-Commerce platforms, there is a trend towards improving customer experiences by incorporating Personalization context as input into Large Language Models (LLMs). However, LLMs often struggle to effectively parse and utilize sparse and complex personal context without additional processing or contextual enrichment, underscoring the need for more sophisticated context understanding mechanisms. In this work, we propose Guided Profile Generation (GPG), a general method designed to generate personal profiles in natural language. As is observed, intermediate guided profile generation enables LLMs to summarize, and extract the important, distinctive features from the personal context into concise, descriptive sentences, precisely tailoring their generation more closely to an individual's unique habits and preferences. Our experimental results show that GPG improves LLM's personalization ability across different tasks, for example, it increases 37% accuracy in predicting personal preference compared to directly feeding the LLMs with raw personal context.

Digital watermarking has shown its effectiveness in protecting multimedia content. However, existing watermarking is predominantly tailored for specific media types, rendering them less effective for the protection of content displayed on computer screens, which is often multi-modal and dynamic. Visual Screen Content (VSC), is particularly susceptible to theft and leakage through screenshots, a vulnerability that current watermarking methods fail to adequately address.To address these challenges, we propose ScreenMark, a robust and practical watermarking method designed specifically for arbitrary VSC protection. ScreenMark utilizes a three-stage progressive watermarking framework. Initially, inspired by diffusion principles, we initialize the mutual transformation between regular watermark information and irregular watermark patterns. Subsequently, these patterns are integrated with screen content using a pre-multiplication alpha blending technique, supported by a pre-trained screen decoder for accurate watermark retrieval. The progressively complex distorter enhances the robustness of the watermark in real-world screenshot scenarios. Finally, the model undergoes fine-tuning guided by a joint-level distorter to ensure optimal performance. To validate the effectiveness of ScreenMark, we compiled a dataset comprising 100,000 screenshots from various devices and resolutions. Extensive experiments on different datasets confirm the superior robustness, imperceptibility, and practical applicability of the method.

Recent advances in large language models (LLMs) have enabled autonomous agents with complex reasoning and task-fulfillment capabilities using a wide range of tools. However, effectively identifying the most relevant tools for a given task becomes a key bottleneck as the toolset size grows, hindering reliable tool utilization. To address this, we introduce Re-Invoke, an unsupervised tool retrieval method designed to scale effectively to large toolsets without training. Specifically, we first generate a diverse set of synthetic queries that comprehensively cover different aspects of the query space associated with each tool document during the tool indexing phase. Second, we leverage LLM's query understanding capabilities to extract key tool-related context and underlying intents from user queries during the inference phase. Finally, we employ a novel multi-view similarity ranking strategy based on intents to pinpoint the most relevant tools for each query. Our evaluation demonstrates that Re-Invoke significantly outperforms state-of-the-art alternatives in both single-tool and multi-tool scenarios, all within a fully unsupervised setting. Notably, on the ToolE datasets, we achieve a 20% relative improvement in nDCG@5 for single-tool retrieval and a 39% improvement for multi-tool retrieval.

In this paper, we introduce Mask2Map, a novel end-to-end online HD map construction method designed for autonomous driving applications. Our approach focuses on predicting the class and ordered point set of map instances within a scene, represented in the bird's eye view (BEV). Mask2Map consists of two primary components: the Instance-Level Mask Prediction Network (IMPNet) and the Mask-Driven Map Prediction Network (MMPNet). IMPNet generates Mask-Aware Queries and BEV Segmentation Masks to capture comprehensive semantic information globally. Subsequently, MMPNet enhances these query features using local contextual information through two submodules: the Positional Query Generator (PQG) and the Geometric Feature Extractor (GFE). PQG extracts instance-level positional queries by embedding BEV positional information into Mask-Aware Queries, while GFE utilizes BEV Segmentation Masks to generate point-level geometric features. However, we observed limited performance in Mask2Map due to inter-network inconsistency stemming from different predictions to Ground Truth (GT) matching between IMPNet and MMPNet. To tackle this challenge, we propose the Inter-network Denoising Training method, which guides the model to denoise the output affected by both noisy GT queries and perturbed GT Segmentation Masks. Our evaluation conducted on nuScenes and Argoverse2 benchmarks demonstrates that Mask2Map achieves remarkable performance improvements over previous state-of-the-art methods, with gains of 10.1% mAP and 4.1 mAP, respectively. Our code can be found at https://github.com/SehwanChoi0307/Mask2Map.

Recently, with the rise of web videos, managing and understanding large-scale video datasets has become increasingly important. Video Large Language Models (VideoLLMs) have emerged in recent years due to their strong video understanding capabilities. However, training and inference processes for VideoLLMs demand vast amounts of data, presenting significant challenges to data management, particularly regarding efficiency, robustness, and effectiveness. In this work, we present KeyVideoLLM, a text-video frame similarity-based keyframe selection method designed to manage VideoLLM data efficiently, robustly, and effectively. Specifically, KeyVideoLLM achieves a remarkable data compression rate of up to 60.9 times, substantially lowering disk space requirements, which proves its high efficiency. Additionally, it maintains a 100% selection success rate across all video formats and scales, enhances processing speed by up to 200 times compared to existing keyframe selection methods, and does not require hyperparameter tuning. Beyond its outstanding efficiency and robustness, KeyVideoLLM further improves model performance in video question-answering tasks during both training and inference stages. Notably, it consistently achieved the state-of-the-art (SoTA) experimental results on diverse datasets.

Training models with longer in-context lengths is a significant challenge for multimodal model due to substantial GPU memory and computational costs. This exploratory study does not present state-of-the-art models; rather, it introduces an innovative method designed to increase in-context text length in multi-modality large language models (MLLMs) efficiently. We present Visualized In-Context Text Processing (VisInContext), which processes long in-context text using visual tokens. This technique significantly reduces GPU memory usage and floating point operations (FLOPs) for both training and inferenceing stage. For instance, our method expands the pre-training in-context text length from 256 to 2048 tokens with nearly same FLOPs for a 56 billion parameter MOE model. Experimental results demonstrate that model trained with VisInContext delivers superior performance on common downstream benchmarks for in-context few-shot evaluation. Additionally, VisInContext is complementary to existing methods for increasing in-context text length and enhances document understanding capabilities, showing great potential in document QA tasks and sequential document retrieval.

Text-to-image (T2I) diffusion models have shown significant success in personalized text-to-image generation, which aims to generate novel images with human identities indicated by the reference images. Despite promising identity fidelity has been achieved by several tuning-free methods, they usually suffer from overfitting issues. The learned identity tends to entangle with irrelevant information, resulting in unsatisfied text controllability, especially on faces. In this work, we present MasterWeaver, a test-time tuning-free method designed to generate personalized images with both faithful identity fidelity and flexible editability. Specifically, MasterWeaver adopts an encoder to extract identity features and steers the image generation through additional introduced cross attention. To improve editability while maintaining identity fidelity, we propose an editing direction loss for training, which aligns the editing directions of our MasterWeaver with those of the original T2I model. Additionally, a face-augmented dataset is constructed to facilitate disentangled identity learning, and further improve the editability. Extensive experiments demonstrate that our MasterWeaver can not only generate personalized images with faithful identity, but also exhibit superiority in text controllability. Our code will be publicly available at https://github.com/csyxwei/MasterWeaver.

The objective of image super-resolution is to generate clean and high-resolution images from degraded versions. Recent advancements in diffusion modeling have led to the emergence of various image super-resolution techniques that leverage pretrained text-to-image (T2I) models. Nevertheless, due to the prevalent severe degradation in low-resolution images and the inherent characteristics of diffusion models, achieving high-fidelity image restoration remains challenging. Existing methods often exhibit issues including semantic loss, artifacts, and the introduction of spurious content not present in the original image. To tackle this challenge, we propose Cascaded diffusion for Super-Resolution, CasSR , a novel method designed to produce highly detailed and realistic images. In particular, we develop a cascaded controllable diffusion model that aims to optimize the extraction of information from low-resolution images. This model generates a preliminary reference image to facilitate initial information extraction and degradation mitigation. Furthermore, we propose a multi-attention mechanism to enhance the T2I model's capability in maximizing the restoration of the original image content. Through a comprehensive blend of qualitative and quantitative analyses, we substantiate the efficacy and superiority of our approach.

Adapting pretrained large language models (LLMs) to various downstream tasks in tens or hundreds of human languages is computationally expensive. Parameter-efficient fine-tuning (PEFT) significantly reduces the adaptation cost, by tuning only a small amount of parameters. However, directly applying PEFT methods such as LoRA (Hu et al., 2022) on diverse dataset mixtures could lead to suboptimal performance due to limited parameter capacity and negative interference among different datasets. In this work, we propose Featurized Low-rank Mixtures (FLix), a novel PEFT method designed for effective multitask multilingual tuning. FLix associates each unique dataset feature, such as the dataset's language or task, with its own low-rank weight update parameters. By composing feature-specific parameters for each dataset, FLix can accommodate diverse dataset mixtures and generalize better to unseen datasets. Our experiments show that FLix leads to significant improvements over a variety of tasks for both supervised learning and zero-shot settings using different training data mixtures.

Witnessing the evolution of text-to-image diffusion models, significant strides have been made in text-to-3D generation. Currently, two primary paradigms dominate the field of text-to-3D: the feed-forward generation solutions, capable of swiftly producing 3D assets but often yielding coarse results, and the Score Distillation Sampling (SDS) based solutions, known for generating high-fidelity 3D assets albeit at a slower pace. The synergistic integration of these methods holds substantial promise for advancing 3D generation techniques. In this paper, we present BoostDream, a highly efficient plug-and-play 3D refining method designed to transform coarse 3D assets into high-quality. The BoostDream framework comprises three distinct processes: (1) We introduce 3D model distillation that fits differentiable representations from the 3D assets obtained through feed-forward generation. (2) A novel multi-view SDS loss is designed, which utilizes a multi-view aware 2D diffusion model to refine the 3D assets. (3) We propose to use prompt and multi-view consistent normal maps as guidance in refinement.Our extensive experiment is conducted on different differentiable 3D representations, revealing that BoostDream excels in generating high-quality 3D assets rapidly, overcoming the Janus problem compared to conventional SDS-based methods. This breakthrough signifies a substantial advancement in both the efficiency and quality of 3D generation processes.

Recently, diffusion-based methods, like InstructPix2Pix (IP2P), have achieved effective instruction-based image editing, requiring only natural language instructions from the user. However, these methods often inadvertently alter unintended areas and struggle with multi-instruction editing, resulting in compromised outcomes. To address these issues, we introduce the Focus on Your Instruction (FoI), a method designed to ensure precise and harmonious editing across multiple instructions without extra training or test-time optimization. In the FoI, we primarily emphasize two aspects: (1) precisely extracting regions of interest for each instruction and (2) guiding the denoising process to concentrate within these regions of interest. For the first objective, we identify the implicit grounding capability of IP2P from the cross-attention between instruction and image, then develop an effective mask extraction method. For the second objective, we introduce a cross attention modulation module for rough isolation of target editing regions and unrelated regions. Additionally, we introduce a mask-guided disentangle sampling strategy to further ensure clear region isolation. Experimental results demonstrate that FoI surpasses existing methods in both quantitative and qualitative evaluations, especially excelling in multi-instruction editing task.

Recent advancements in NLP have witnessed the groundbreaking impact of pretrained models, yielding impressive outcomes across various tasks. This study seeks to extend the power of pretraining methodologies to facilitating the prediction over tables in data science, a domain traditionally overlooked, yet inherently challenging due to the plethora of table schemas intrinsic to different tasks. The primary research questions underpinning this work revolve around the establishment of a universal pretraining protocol for tables with varied structures, the generalizability and transferability of learned knowledge across tasks, the adaptation to diverse downstream applications, and the incorporation of incremental columns over time. In response to these challenges, we introduce UniTabE, a straightforward yet effective method designed to process tables in a uniform manner, devoid of constraints imposed by specific table structures. UniTabE's core concept relies on representing each basic table element with a module, termed TabUnit. This is subsequently followed by a Transformer encoder to refine the representation. Moreover, our model is designed to facilitate pretraining and finetuning through the utilization of free-form prompts. In order to implement the pretraining phase, we curated an expansive tabular dataset comprising approximately 13B samples, meticulously gathered from the Kaggle platform. This research primarily centers on classification and regression tasks involving tabular data, and conducts rigorous experimental testing and analyses to validate the effectiveness of our methodology. The experimental results demonstrate UniTabE's superior performance against several baselines across massive benchmarks. This, therefore, underscores UniTabE's potential to significantly enhance the semantic representation of tabular data, thereby marking a significant stride for tabular data analysis.

While Deep Learning excels in structured data as encountered in vision and natural language processing, it failed to meet its expectations on tabular data. For tabular data, Support Vector Machines (SVMs), Random Forests, and Gradient Boosting are the best performing techniques with Gradient Boosting in the lead. Recently, we saw a surge of Deep Learning methods that were tailored to tabular data but still underperform compared to Gradient Boosting on small-sized datasets. We suggest "Hopular", a novel Deep Learning architecture for medium- and small-sized datasets, where each layer is equipped with continuous modern Hopfield networks. The modern Hopfield networks use stored data to identify feature-feature, feature-target, and sample-sample dependencies. Hopular's novelty is that every layer can directly access the original input as well as the whole training set via stored data in the Hopfield networks. Therefore, Hopular can step-wise update its current model and the resulting prediction at every layer like standard iterative learning algorithms. In experiments on small-sized tabular datasets with less than 1,000 samples, Hopular surpasses Gradient Boosting, Random Forests, SVMs, and in particular several Deep Learning methods. In experiments on medium-sized tabular data with about 10,000 samples, Hopular outperforms XGBoost, CatBoost, LightGBM and a state-of-the art Deep Learning method designed for tabular data. Thus, Hopular is a strong alternative to these methods on tabular data.

Traditional computer vision generally solves each single task independently by a dedicated model with the task instruction implicitly designed in the model architecture, arising two limitations: (1) it leads to task-specific models, which require multiple models for different tasks and restrict the potential synergies from diverse tasks; (2) it leads to a pre-defined and fixed model interface that has limited interactivity and adaptability in following user' task instructions. To address them, Visual Instruction Tuning (VIT) has been intensively studied recently, which finetunes a large vision model with language as task instructions, aiming to learn from a wide range of vision tasks described by language instructions a general-purpose multimodal model that can follow arbitrary instructions and thus solve arbitrary tasks specified by the user. This work aims to provide a systematic review of visual instruction tuning, covering (1) the background that presents computer vision task paradigms and the development of VIT; (2) the foundations of VIT that introduce commonly used network architectures, visual instruction tuning frameworks and objectives, and evaluation setups and tasks; (3) the commonly used datasets in visual instruction tuning and evaluation; (4) the review of existing VIT methods that categorizes them with a taxonomy according to both the studied vision task and the method design and highlights the major contributions, strengths, and shortcomings of them; (5) the comparison and discussion of VIT methods over various instruction-following benchmarks; (6) several challenges, open directions and possible future works in visual instruction tuning research.

Applying Reinforcement Learning (RL) to Video Large Language Models (Video-LLMs) shows significant promise for complex video reasoning. However, popular Reinforcement Fine-Tuning (RFT) methods, such as outcome-based Group Relative Policy Optimization (GRPO), are limited by data preparation bottlenecks (e.g., noise or high cost) and exhibit unstable improvements in the quality of long chain-of-thoughts (CoTs) and downstream performance.To address these limitations, we propose VerIPO, a Verifier-guided Iterative Policy Optimization method designed to gradually improve video LLMs' capacity for generating deep, long-term reasoning chains. The core component is Rollout-Aware Verifier, positioned between the GRPO and Direct Preference Optimization (DPO) training phases to form the GRPO-Verifier-DPO training loop. This verifier leverages small LLMs as a judge to assess the reasoning logic of rollouts, enabling the construction of high-quality contrastive data, including reflective and contextually consistent CoTs. These curated preference samples drive the efficient DPO stage (7x faster than GRPO), leading to marked improvements in reasoning chain quality, especially in terms of length and contextual consistency. This training loop benefits from GRPO's expansive search and DPO's targeted optimization. Experimental results demonstrate: 1) Significantly faster and more effective optimization compared to standard GRPO variants, yielding superior performance; 2) Our trained models exceed the direct inference of large-scale instruction-tuned Video-LLMs, producing long and contextually consistent CoTs on diverse video reasoning tasks; and 3) Our model with one iteration outperforms powerful LMMs (e.g., Kimi-VL) and long reasoning models (e.g., Video-R1), highlighting its effectiveness and stability.

We introduce Multi-Objective Counterfactuals for Design (MCD), a novel method for counterfactual optimization in design problems. Counterfactuals are hypothetical situations that can lead to a different decision or choice. In this paper, the authors frame the counterfactual search problem as a design recommendation tool that can help identify modifications to a design, leading to better functional performance. MCD improves upon existing counterfactual search methods by supporting multi-objective queries, which are crucial in design problems, and by decoupling the counterfactual search and sampling processes, thus enhancing efficiency and facilitating objective tradeoff visualization. The paper demonstrates MCD's core functionality using a two-dimensional test case, followed by three case studies of bicycle design that showcase MCD's effectiveness in real-world design problems. In the first case study, MCD excels at recommending modifications to query designs that can significantly enhance functional performance, such as weight savings and improvements to the structural safety factor. The second case study demonstrates that MCD can work with a pre-trained language model to suggest design changes based on a subjective text prompt effectively. Lastly, the authors task MCD with increasing a query design's similarity to a target image and text prompt while simultaneously reducing weight and improving structural performance, demonstrating MCD's performance on a complex multimodal query. Overall, MCD has the potential to provide valuable recommendations for practitioners and design automation researchers looking for answers to their ``What if'' questions by exploring hypothetical design modifications and their impact on multiple design objectives. The code, test problems, and datasets used in the paper are available to the public at decode.mit.edu/projects/counterfactuals/.

Graphic design is essential for visual communication with layouts being fundamental to composing attractive designs. Layout generation differs from pixel-level image synthesis and is unique in terms of the requirement of mutual relations among the desired components. We propose a method for design layout generation that can satisfy user-specified constraints. The proposed neural design network (NDN) consists of three modules. The first module predicts a graph with complete relations from a graph with user-specified relations. The second module generates a layout from the predicted graph. Finally, the third module fine-tunes the predicted layout. Quantitative and qualitative experiments demonstrate that the generated layouts are visually similar to real design layouts. We also construct real designs based on predicted layouts for a better understanding of the visual quality. Finally, we demonstrate a practical application on layout recommendation.

Sewing patterns, the essential blueprints for fabric cutting and tailoring, act as a crucial bridge between design concepts and producible garments. However, existing uni-modal sewing pattern generation models struggle to effectively encode complex design concepts with a multi-modal nature and correlate them with vectorized sewing patterns that possess precise geometric structures and intricate sewing relations. In this work, we propose a novel sewing pattern generation approach Design2GarmentCode based on Large Multimodal Models (LMMs), to generate parametric pattern-making programs from multi-modal design concepts. LMM offers an intuitive interface for interpreting diverse design inputs, while pattern-making programs could serve as well-structured and semantically meaningful representations of sewing patterns, and act as a robust bridge connecting the cross-domain pattern-making knowledge embedded in LMMs with vectorized sewing patterns. Experimental results demonstrate that our method can flexibly handle various complex design expressions such as images, textual descriptions, designer sketches, or their combinations, and convert them into size-precise sewing patterns with correct stitches. Compared to previous methods, our approach significantly enhances training efficiency, generation quality, and authoring flexibility.

We study experiment design for unique identification of the causal graph of a simple SCM, where the graph may contain cycles. The presence of cycles in the structure introduces major challenges for experiment design as, unlike acyclic graphs, learning the skeleton of causal graphs with cycles may not be possible from merely the observational distribution. Furthermore, intervening on a variable in such graphs does not necessarily lead to orienting all the edges incident to it. In this paper, we propose an experiment design approach that can learn both cyclic and acyclic graphs and hence, unifies the task of experiment design for both types of graphs. We provide a lower bound on the number of experiments required to guarantee the unique identification of the causal graph in the worst case, showing that the proposed approach is order-optimal in terms of the number of experiments up to an additive logarithmic term. Moreover, we extend our result to the setting where the size of each experiment is bounded by a constant. For this case, we show that our approach is optimal in terms of the size of the largest experiment required for uniquely identifying the causal graph in the worst case.

Multi-cellular robot design aims to create robots comprised of numerous cells that can be efficiently controlled to perform diverse tasks. Previous research has demonstrated the ability to generate robots for various tasks, but these approaches often optimize robots directly in the vast design space, resulting in robots with complicated morphologies that are hard to control. In response, this paper presents a novel coarse-to-fine method for designing multi-cellular robots. Initially, this strategy seeks optimal coarse-grained robots and progressively refines them. To mitigate the challenge of determining the precise refinement juncture during the coarse-to-fine transition, we introduce the Hyperbolic Embeddings for Robot Design (HERD) framework. HERD unifies robots of various granularity within a shared hyperbolic space and leverages a refined Cross-Entropy Method for optimization. This framework enables our method to autonomously identify areas of exploration in hyperbolic space and concentrate on regions demonstrating promise. Finally, the extensive empirical studies on various challenging tasks sourced from EvoGym show our approach's superior efficiency and generalization capability.

The combination of Neural Architecture Search (NAS) and quantization has proven successful in automatically designing low-FLOPs INT8 quantized neural networks (QNN). However, directly applying NAS to design accurate QNN models that achieve low latency on real-world devices leads to inferior performance. In this work, we find that the poor INT8 latency is due to the quantization-unfriendly issue: the operator and configuration (e.g., channel width) choices in prior art search spaces lead to diverse quantization efficiency and can slow down the INT8 inference speed. To address this challenge, we propose SpaceEvo, an automatic method for designing a dedicated, quantization-friendly search space for each target hardware. The key idea of SpaceEvo is to automatically search hardware-preferred operators and configurations to construct the search space, guided by a metric called Q-T score to quantify how quantization-friendly a candidate search space is. We further train a quantized-for-all supernet over our discovered search space, enabling the searched models to be directly deployed without extra retraining or quantization. Our discovered models establish new SOTA INT8 quantized accuracy under various latency constraints, achieving up to 10.1% accuracy improvement on ImageNet than prior art CNNs under the same latency. Extensive experiments on diverse edge devices demonstrate that SpaceEvo consistently outperforms existing manually-designed search spaces with up to 2.5x faster speed while achieving the same accuracy.

Vision Transformers (ViTs), with their ability to model long-range dependencies through self-attention mechanisms, have become a standard architecture in computer vision. However, the interpretability of these models remains a challenge. To address this, we propose LeGrad, an explainability method specifically designed for ViTs. LeGrad computes the gradient with respect to the attention maps of ViT layers, considering the gradient itself as the explainability signal. We aggregate the signal over all layers, combining the activations of the last as well as intermediate tokens to produce the merged explainability map. This makes LeGrad a conceptually simple and an easy-to-implement tool for enhancing the transparency of ViTs. We evaluate LeGrad in challenging segmentation, perturbation, and open-vocabulary settings, showcasing its versatility compared to other SotA explainability methods demonstrating its superior spatial fidelity and robustness to perturbations. A demo and the code is available at https://github.com/WalBouss/LeGrad.

Can we automatically design a Convolutional Network (ConvNet) with the highest image classification accuracy under the runtime constraint of a mobile device? Neural architecture search (NAS) has revolutionized the design of hardware-efficient ConvNets by automating this process. However, the NAS problem remains challenging due to the combinatorially large design space, causing a significant searching time (at least 200 GPU-hours). To alleviate this complexity, we propose Single-Path NAS, a novel differentiable NAS method for designing hardware-efficient ConvNets in less than 4 hours. Our contributions are as follows: 1. Single-path search space: Compared to previous differentiable NAS methods, Single-Path NAS uses one single-path over-parameterized ConvNet to encode all architectural decisions with shared convolutional kernel parameters, hence drastically decreasing the number of trainable parameters and the search cost down to few epochs. 2. Hardware-efficient ImageNet classification: Single-Path NAS achieves 74.96% top-1 accuracy on ImageNet with 79ms latency on a Pixel 1 phone, which is state-of-the-art accuracy compared to NAS methods with similar constraints (<80ms). 3. NAS efficiency: Single-Path NAS search cost is only 8 epochs (30 TPU-hours), which is up to 5,000x faster compared to prior work. 4. Reproducibility: Unlike all recent mobile-efficient NAS methods which only release pretrained models, we open-source our entire codebase at: https://github.com/dstamoulis/single-path-nas.

An isotropic antenna radiates and receives electromagnetic wave uniformly in magnitude in 3D space. A multi-frequency quasi-isotropic antenna can serve as a practically feasible solution to emulate an ideal multi-frequency isotropic radiator. It is also an essential technology for mobile smart devices for massive IoT in the upcoming 6G. However, ever since the quasi-isotropic antenna was proposed and achieved more than half a century ago, at most two discrete narrow frequency bands can be achieved, because of the significantly increased structural complexity from multi-frequency isotropic radiation. This limitation impedes numerous related electromagnetic experiments and the advances in wireless communication. Here, for the first time, a design method for multi-band (>2) quasi-isotropic antennas is proposed. An exemplified quasi-isotropic antenna with the desired four frequency bands is also presented for demonstration. The measured results validate excellent performance on both electromagnetics and wireless communications for this antenna.

Techniques for automatically designing deep neural network architectures such as reinforcement learning based approaches have recently shown promising results. However, their success is based on vast computational resources (e.g. hundreds of GPUs), making them difficult to be widely used. A noticeable limitation is that they still design and train each network from scratch during the exploration of the architecture space, which is highly inefficient. In this paper, we propose a new framework toward efficient architecture search by exploring the architecture space based on the current network and reusing its weights. We employ a reinforcement learning agent as the meta-controller, whose action is to grow the network depth or layer width with function-preserving transformations. As such, the previously validated networks can be reused for further exploration, thus saves a large amount of computational cost. We apply our method to explore the architecture space of the plain convolutional neural networks (no skip-connections, branching etc.) on image benchmark datasets (CIFAR-10, SVHN) with restricted computational resources (5 GPUs). Our method can design highly competitive networks that outperform existing networks using the same design scheme. On CIFAR-10, our model without skip-connections achieves 4.23\% test error rate, exceeding a vast majority of modern architectures and approaching DenseNet. Furthermore, by applying our method to explore the DenseNet architecture space, we are able to achieve more accurate networks with fewer parameters.

This paper develops an agentic framework that employs large language models (LLMs) to automate the generation of persuasive and grounded marketing content, using real estate listing descriptions as our focal application domain. Our method is designed to align the generated content with user preferences while highlighting useful factual attributes. This agent consists of three key modules: (1) Grounding Module, mimicking expert human behavior to predict marketable features; (2) Personalization Module, aligning content with user preferences; (3) Marketing Module, ensuring factual accuracy and the inclusion of localized features. We conduct systematic human-subject experiments in the domain of real estate marketing, with a focus group of potential house buyers. The results demonstrate that marketing descriptions generated by our approach are preferred over those written by human experts by a clear margin. Our findings suggest a promising LLM-based agentic framework to automate large-scale targeted marketing while ensuring responsible generation using only facts.

Radiology report generation (RRG) has attracted significant attention due to its potential to reduce the workload of radiologists. Current RRG approaches are still unsatisfactory against clinical standards. This paper introduces a novel RRG method, LM-RRG, that integrates large models (LMs) with clinical quality reinforcement learning to generate accurate and comprehensive chest X-ray radiology reports. Our method first designs a large language model driven feature extractor to analyze and interpret different regions of the chest X-ray image, emphasizing specific regions with medical significance. Next, based on the large model's decoder, we develop a multimodal report generator that leverages multimodal prompts from visual features and textual instruction to produce the radiology report in an auto-regressive way. Finally, to better reflect the clinical significant and insignificant errors that radiologists would normally assign in the report, we introduce a novel clinical quality reinforcement learning strategy. It utilizes the radiology report clinical quality (RadCliQ) metric as a reward function in the learning process. Extensive experiments on the MIMIC-CXR and IU-Xray datasets demonstrate the superiority of our method over the state of the art.

In this paper, we address the challenges posed by the substantial training time and memory consumption associated with video transformers, focusing on the ViViT (Video Vision Transformer) model, in particular the Factorised Encoder version, as our baseline for action recognition tasks. The factorised encoder variant follows the late-fusion approach that is adopted by many state of the art approaches. Despite standing out for its favorable speed/accuracy tradeoffs among the different variants of ViViT, its considerable training time and memory requirements still pose a significant barrier to entry. Our method is designed to lower this barrier and is based on the idea of freezing the spatial transformer during training. This leads to a low accuracy model if naively done. But we show that by (1) appropriately initializing the temporal transformer (a module responsible for processing temporal information) (2) introducing a compact adapter model connecting frozen spatial representations ((a module that selectively focuses on regions of the input image) to the temporal transformer, we can enjoy the benefits of freezing the spatial transformer without sacrificing accuracy. Through extensive experimentation over 6 benchmarks, we demonstrate that our proposed training strategy significantly reduces training costs (by sim 50%) and memory consumption while maintaining or slightly improving performance by up to 1.79\% compared to the baseline model. Our approach additionally unlocks the capability to utilize larger image transformer models as our spatial transformer and access more frames with the same memory consumption.

We propose a novel approach for learning interchangeable tokens in language models to obtain an extendable vocabulary that can generalize to new tokens. Our method is designed to address alpha-equivalence, the principle that renaming bound variables in a syntactic expression preserves semantics. This property arises in many formal languages such as temporal logics, in which all proposition symbols represent the same concept but are distinguishable from each other. To handle such tokens, we develop a dual-part embedding approach. The first part is shared across all interchangeable tokens, thereby enforcing that they represent the same core concept. The second part is randomly generated for each token, which enables distinguishability. We evaluate our method in a Transformer encoder-decoder model on two tasks: solving linear temporal logic formulae and copying with extendable vocabulary. Our method demonstrates promising generalization capabilities in addition to introducing a favorable inductive bias for alpha-equivalence.

Large language models (LLMs) are often augmented with tools to solve complex tasks. By generating code snippets and executing them through task-specific Application Programming Interfaces (APIs), they can offload certain functions to dedicated external modules, such as image encoding and performing calculations. However, most existing approaches to augment LLMs with tools are constrained by general-purpose APIs and lack the flexibility for tailoring them to specific tasks. In this work, we present CRAFT, a general tool creation and retrieval framework for LLMs. It creates toolsets specifically curated for the tasks and equips LLMs with a component that retrieves tools from these sets to enhance their capability to solve complex tasks. For each task, we collect specific code solutions by prompting GPT-4 to solve the training examples. Following a validation step ensuring the correctness, these solutions are abstracted into code snippets to enhance reusability, and deduplicated for higher quality. At inference time, the language model retrieves snippets from the toolsets and then executes them or generates the output conditioning on the retrieved snippets. Our method is designed to be flexible and offers a plug-and-play approach to adapt off-the-shelf LLMs to unseen domains and modalities, without any finetuning. Experiments on vision-language, tabular processing, and mathematical reasoning tasks show that our approach achieves substantial improvements compared to strong baselines. In addition, our in-depth analysis reveals that: (1) consistent performance improvement can be achieved by scaling up the number of tools and the capability of the backbone models; (2) each component of our approach contributes to the performance gains; (3) the created tools are well-structured and reliable with low complexity and atomicity. The code is available at https://github.com/lifan-yuan/CRAFT.

Large Language Models (LLMs) have shown outstanding performance across wide range of downstream tasks. This competency is attributed to their substantial parameter size and pre-training on extensive corpus. Moreover, LLMs have exhibited enhanced reasoning capabilities in tackling complex reasoning tasks, owing to the utilization of a method named ``Chain-of-Thought (CoT) prompting''. This method is designed to generate intermediate reasoning steps that guide the inference of the final answer. However, it is essential to highlight that these advanced reasoning abilities appear to emerge in models with a minimum of 10 billion parameters, thereby limiting its efficacy in situations where computational resources are constrained. In this paper, we investigate the possibility of transferring the reasoning capabilities of LLMs to smaller models via knowledge distillation. Specifically, we propose Sci-CoT, a two-stage framework that separates the processes of generating rationales and inferring answers. This method enables a more efficient use of rationales during the answer inference stage, leading to improved performance on scientific question-answering tasks. Utilizing Sci-CoT, our 80-million parameter model is able to exceed the performance of BLOOM-176B in the ARC-Easy dataset under the few shot setting.

Deep learning models are susceptible to adversarial samples in white and black-box environments. Although previous studies have shown high attack success rates, coupling DNN models with interpretation models could offer a sense of security when a human expert is involved, who can identify whether a given sample is benign or malicious. However, in white-box environments, interpretable deep learning systems (IDLSes) have been shown to be vulnerable to malicious manipulations. In black-box settings, as access to the components of IDLSes is limited, it becomes more challenging for the adversary to fool the system. In this work, we propose a Query-efficient Score-based black-box attack against IDLSes, QuScore, which requires no knowledge of the target model and its coupled interpretation model. QuScore is based on transfer-based and score-based methods by employing an effective microbial genetic algorithm. Our method is designed to reduce the number of queries necessary to carry out successful attacks, resulting in a more efficient process. By continuously refining the adversarial samples created based on feedback scores from the IDLS, our approach effectively navigates the search space to identify perturbations that can fool the system. We evaluate the attack's effectiveness on four CNN models (Inception, ResNet, VGG, DenseNet) and two interpretation models (CAM, Grad), using both ImageNet and CIFAR datasets. Our results show that the proposed approach is query-efficient with a high attack success rate that can reach between 95% and 100% and transferability with an average success rate of 69% in the ImageNet and CIFAR datasets. Our attack method generates adversarial examples with attribution maps that resemble benign samples. We have also demonstrated that our attack is resilient against various preprocessing defense techniques and can easily be transferred to different DNN models.

We propose GroundUp, the first sketch-based ideation tool for 3D city massing of urban areas. We focus on early-stage urban design, where sketching is a common tool and the design starts from balancing building volumes (masses) and open spaces. With Human-Centered AI in mind, we aim to help architects quickly revise their ideas by easily switching between 2D sketches and 3D models, allowing for smoother iteration and sharing of ideas. Inspired by feedback from architects and existing workflows, our system takes as a first input a user sketch of multiple buildings in a top-down view. The user then draws a perspective sketch of the envisioned site. Our method is designed to exploit the complementarity of information in the two sketches and allows users to quickly preview and adjust the inferred 3D shapes. Our model has two main components. First, we propose a novel sketch-to-depth prediction network for perspective sketches that exploits top-down sketch shapes. Second, we use depth cues derived from the perspective sketch as a condition to our diffusion model, which ultimately completes the geometry in a top-down view. Thus, our final 3D geometry is represented as a heightfield, allowing users to construct the city `from the ground up'.

Current image-text retrieval methods have demonstrated impressive performance in recent years. However, they still face two problems: the inter-modal matching missing problem and the intra-modal semantic loss problem. These problems can significantly affect the accuracy of image-text retrieval. To address these challenges, we propose a novel method called Cross-modal and Uni-modal Soft-label Alignment (CUSA). Our method leverages the power of uni-modal pre-trained models to provide soft-label supervision signals for the image-text retrieval model. Additionally, we introduce two alignment techniques, Cross-modal Soft-label Alignment (CSA) and Uni-modal Soft-label Alignment (USA), to overcome false negatives and enhance similarity recognition between uni-modal samples. Our method is designed to be plug-and-play, meaning it can be easily applied to existing image-text retrieval models without changing their original architectures. Extensive experiments on various image-text retrieval models and datasets, we demonstrate that our method can consistently improve the performance of image-text retrieval and achieve new state-of-the-art results. Furthermore, our method can also boost the uni-modal retrieval performance of image-text retrieval models, enabling it to achieve universal retrieval. The code and supplementary files can be found at https://github.com/lerogo/aaai24_itr_cusa.

In this work we develop 3D Paintbrush, a technique for automatically texturing local semantic regions on meshes via text descriptions. Our method is designed to operate directly on meshes, producing texture maps which seamlessly integrate into standard graphics pipelines. We opt to simultaneously produce a localization map (to specify the edit region) and a texture map which conforms to it. This synergistic approach improves the quality of both the localization and the stylization. To enhance the details and resolution of the textured area, we leverage multiple stages of a cascaded diffusion model to supervise our local editing technique with generative priors learned from images at different resolutions. Our technique, referred to as Cascaded Score Distillation (CSD), simultaneously distills scores at multiple resolutions in a cascaded fashion, enabling control over both the granularity and global understanding of the supervision. We demonstrate the effectiveness of 3D Paintbrush to locally texture a variety of shapes within different semantic regions. Project page: https://threedle.github.io/3d-paintbrush

General-purpose text decoding approaches are usually adopted for dialogue response generation. Although the quality of the generated responses can be improved with dialogue-specific encoding methods, conversational decoding methods are still under-explored. Inspired by wu2023learning that a good dialogue feature space should follow the rules of locality and isotropy, we present a fine-grained conversational decoding method, termed isotropic and proximal search (IPS). Our method is designed to generate the semantic-concentrated response, while still maintaining informativeness and discrimination against the context. Experiments show that our approach outperforms existing decoding strategies in the dialogue field across both automatic and human evaluation metrics. More in-depth analyses further confirm the effectiveness of our approach.

We propose a novel approach for aerial video action recognition. Our method is designed for videos captured using UAVs and can run on edge or mobile devices. We present a learning-based approach that uses customized auto zoom to automatically identify the human target and scale it appropriately. This makes it easier to extract the key features and reduces the computational overhead. We also present an efficient temporal reasoning algorithm to capture the action information along the spatial and temporal domains within a controllable computational cost. Our approach has been implemented and evaluated both on the desktop with high-end GPUs and on the low power Robotics RB5 Platform for robots and drones. In practice, we achieve 6.1-7.4% improvement over SOTA in Top-1 accuracy on the RoCoG-v2 dataset, 8.3-10.4% improvement on the UAV-Human dataset and 3.2% improvement on the Drone Action dataset.

Large Language Models (LLMs) have become integral components in various autonomous agent systems. In this study, we present an exploration-based trajectory optimization approach, referred to as ETO. This learning method is designed to enhance the performance of open LLM agents. Contrary to previous studies that exclusively train on successful expert trajectories, our method allows agents to learn from their exploration failures. This leads to improved performance through an iterative optimization framework. During the exploration phase, the agent interacts with the environment while completing given tasks, gathering failure trajectories to create contrastive trajectory pairs. In the subsequent training phase, the agent utilizes these trajectory preference pairs to update its policy using contrastive learning methods like DPO. This iterative cycle of exploration and training fosters continued improvement in the agents. Our experiments on three complex tasks demonstrate that ETO consistently surpasses baseline performance by a large margin. Furthermore, an examination of task-solving efficiency and potential in scenarios lacking expert trajectory underscores the effectiveness of our approach.

Recent work like GPT-3 has demonstrated excellent performance of Zero-Shot and Few-Shot learning on many natural language processing (NLP) tasks by scaling up model size, dataset size and the amount of computation. However, training a model like GPT-3 requires huge amount of computational resources which makes it challengeable to researchers. In this work, we propose a method that incorporates large-scale distributed training performance into model architecture design. With this method, Yuan 1.0, the current largest singleton language model with 245B parameters, achieves excellent performance on thousands GPUs during training, and the state-of-the-art results on NLP tasks. A data processing method is designed to efficiently filter massive amount of raw data. The current largest high-quality Chinese corpus with 5TB high quality texts is built based on this method. In addition, a calibration and label expansion method is proposed to improve the Zero-Shot and Few-Shot performance, and steady improvement is observed on the accuracy of various tasks. Yuan 1.0 presents strong capacity of natural language generation, and the generated articles are difficult to distinguish from the human-written ones.

Generative machine learning models are increasingly being used to design novel proteins for therapeutic and biotechnological applications. However, the current methods mostly focus on the design of proteins with a fixed backbone structure, which leads to their limited ability to account for protein flexibility, one of the crucial properties for protein function. Learning to engineer protein flexibility is problematic because the available data are scarce, heterogeneous, and costly to obtain using computational as well as experimental methods. Our contributions to address this problem are three-fold. First, we comprehensively compare methods for quantifying protein flexibility and identify data relevant to learning. Second, we design and train flexibility predictors utilizing sequential or both sequential and structural information on the input. We overcome the data scarcity issue by leveraging a pre-trained protein language model. Third, we introduce a method for fine-tuning a protein inverse folding model to steer it toward desired flexibility in specified regions. We demonstrate that our method Flexpert-Design enables guidance of inverse folding models toward increased flexibility. This opens up new possibilities for protein flexibility engineering and the development of proteins with enhanced biological activities.

Partial Differential Equations are foundational in modeling science and natural systems such as fluid dynamics and weather forecasting. The Latent Evolution of PDEs method is designed to address the computational intensity of classical and deep learning-based PDE solvers by proposing a scalable and efficient alternative. To enhance the efficiency and accuracy of LE-PDE, we incorporate the Mamba model, an advanced machine learning model known for its predictive efficiency and robustness in handling complex dynamic systems with a progressive learning strategy. The LE-PDE was tested on several benchmark problems. The method demonstrated a marked reduction in computational time compared to traditional solvers and standalone deep learning models while maintaining high accuracy in predicting system behavior over time. Our method doubles the inference speed compared to the LE-PDE while retaining the same level of parameter efficiency, making it well-suited for scenarios requiring long-term predictions.

Structural optimization is a popular method for designing objects such as bridge trusses, airplane wings, and optical devices. Unfortunately, the quality of solutions depends heavily on how the problem is parameterized. In this paper, we propose using the implicit bias over functions induced by neural networks to improve the parameterization of structural optimization. Rather than directly optimizing densities on a grid, we instead optimize the parameters of a neural network which outputs those densities. This reparameterization leads to different and often better solutions. On a selection of 116 structural optimization tasks, our approach produces the best design 50% more often than the best baseline method.

Parameter-Efficient Fine-Tuning (PEFT) is a technique that allows us to adapt powerful Foundation Models (FMs) to diverse downstream tasks while preserving and unleashing their inherent capabilities. However, we have observed that existing PEFT methods, which are often designed with natural imagery in mind, struggle when applied to Remote Sensing (RS) scenarios. This is primarily due to their inability to handle artifact influences, a problem particularly severe in RS image features. To tackle this challenge, we introduce Earth-Adapter, the first PEFT method specifically designed for RS artifacts conquering. Earth-Adapter introduces a novel Mixture of Frequency Adaptation process that combines a Mixture of Adapter (MoA) with Discrete Fourier Transformation (DFT). By utilizing DFT, Earth-Adapter can decompose features into different frequency components, precisely separating artifacts from original features. The MoA then dynamically assigns weights to each adapter expert, allowing for the combination of features across various frequency domains. These simple-yet-effective approaches enable Earth-Adapter to more efficiently overcome the disturbances caused by artifacts than previous PEFT methods, significantly enhancing the FMs' performance on RS scenarios. Experiments on Domain Adaptation (DA), and Domain Generalization (DG) semantic segmentation benchmarks showcase the Earth-Adapter's effectiveness. Compared with baseline Rein, Earth-Adapter significantly improves 9.0% mIoU in DA and 3.1% mIoU in DG benchmarks. Our code will be released at https://github.com/VisionXLab/Earth-Adapter.

Person retrieval has attracted rising attention. Existing methods are mainly divided into two retrieval modes, namely image-only and text-only. However, they are unable to make full use of the available information and are difficult to meet diverse application requirements. To address the above limitations, we propose a new Composed Person Retrieval (CPR) task, which combines visual and textual queries to identify individuals of interest from large-scale person image databases. Nevertheless, the foremost difficulty of the CPR task is the lack of available annotated datasets. Therefore, we first introduce a scalable automatic data synthesis pipeline, which decomposes complex multimodal data generation into the creation of textual quadruples followed by identity-consistent image synthesis using fine-tuned generative models. Meanwhile, a multimodal filtering method is designed to ensure the resulting SynCPR dataset retains 1.15 million high-quality and fully synthetic triplets. Additionally, to improve the representation of composed person queries, we propose a novel Fine-grained Adaptive Feature Alignment (FAFA) framework through fine-grained dynamic alignment and masked feature reasoning. Moreover, for objective evaluation, we manually annotate the Image-Text Composed Person Retrieval (ITCPR) test set. The extensive experiments demonstrate the effectiveness of the SynCPR dataset and the superiority of the proposed FAFA framework when compared with the state-of-the-art methods. All code and data will be provided at https://github.com/Delong-liu-bupt/Composed_Person_Retrieval.

Long-context large language models (LLMs) inference is increasingly critical, motivating a number of studies devoted to alleviating the substantial storage and computational costs in such scenarios. Layer-wise skipping methods are promising optimizations but rarely explored in long-context inference. We observe that existing layer-wise skipping strategies have several limitations when applied in long-context inference, including the inability to adapt to model and context variability, disregard for sublayer significance, and inapplicability for the prefilling phase. This paper proposes \sysname, an adaptive sublayer skipping method specifically designed for long-context inference. \sysname adaptively identifies less important layers by leveraging on-the-fly similarity information, enables sublayer-wise skipping, and accelerates both the prefilling and decoding phases. The effectiveness of \sysname is demonstrated through extensive experiments on various long-context benchmarks and models, showcasing its superior inference performance over existing baselines.

Coronary microvascular disease constitutes a substantial risk to human health. Employing computer-aided analysis and diagnostic systems, medical professionals can intervene early in disease progression, with 3D vessel segmentation serving as a crucial component. Nevertheless, conventional U-Net architectures tend to yield incoherent and imprecise segmentation outcomes, particularly for small vessel structures. While models with attention mechanisms, such as Transformers and large convolutional kernels, demonstrate superior performance, their extensive computational demands during training and inference lead to increased time complexity. In this study, we leverage Fourier domain learning as a substitute for multi-scale convolutional kernels in 3D hierarchical segmentation models, which can reduce computational expenses while preserving global receptive fields within the network. Furthermore, a zero-parameter frequency domain fusion method is designed to improve the skip connections in U-Net architecture. Experimental results on a public dataset and an in-house dataset indicate that our novel Fourier transformation-based network achieves remarkable dice performance (84.37\% on ASACA500 and 80.32\% on ImageCAS) in tubular vessel segmentation tasks and substantially reduces computational requirements without compromising global receptive fields.

The ability to deploy robots that can operate safely in diverse environments is crucial for developing embodied intelligent agents. As a community, we have made tremendous progress in within-domain LiDAR semantic segmentation. However, do these methods generalize across domains? To answer this question, we design the first experimental setup for studying domain generalization (DG) for LiDAR semantic segmentation (DG-LSS). Our results confirm a significant gap between methods, evaluated in a cross-domain setting: for example, a model trained on the source dataset (SemanticKITTI) obtains 26.53 mIoU on the target data, compared to 48.49 mIoU obtained by the model trained on the target domain (nuScenes). To tackle this gap, we propose the first method specifically designed for DG-LSS, which obtains 34.88 mIoU on the target domain, outperforming all baselines. Our method augments a sparse-convolutional encoder-decoder 3D segmentation network with an additional, dense 2D convolutional decoder that learns to classify a birds-eye view of the point cloud. This simple auxiliary task encourages the 3D network to learn features that are robust to sensor placement shifts and resolution, and are transferable across domains. With this work, we aim to inspire the community to develop and evaluate future models in such cross-domain conditions.

Named Entity Disambiguation (NED) refers to the task of resolving multiple named entity mentions in a document to their correct references in a knowledge base (KB) (e.g., Wikipedia). In this paper, we propose a novel embedding method specifically designed for NED. The proposed method jointly maps words and entities into the same continuous vector space. We extend the skip-gram model by using two models. The KB graph model learns the relatedness of entities using the link structure of the KB, whereas the anchor context model aims to align vectors such that similar words and entities occur close to one another in the vector space by leveraging KB anchors and their context words. By combining contexts based on the proposed embedding with standard NED features, we achieved state-of-the-art accuracy of 93.1% on the standard CoNLL dataset and 85.2% on the TAC 2010 dataset.

We present DPoser-X, a diffusion-based prior model for 3D whole-body human poses. Building a versatile and robust full-body human pose prior remains challenging due to the inherent complexity of articulated human poses and the scarcity of high-quality whole-body pose datasets. To address these limitations, we introduce a Diffusion model as body Pose prior (DPoser) and extend it to DPoser-X for expressive whole-body human pose modeling. Our approach unifies various pose-centric tasks as inverse problems, solving them through variational diffusion sampling. To enhance performance on downstream applications, we introduce a novel truncated timestep scheduling method specifically designed for pose data characteristics. We also propose a masked training mechanism that effectively combines whole-body and part-specific datasets, enabling our model to capture interdependencies between body parts while avoiding overfitting to specific actions. Extensive experiments demonstrate DPoser-X's robustness and versatility across multiple benchmarks for body, hand, face, and full-body pose modeling. Our model consistently outperforms state-of-the-art alternatives, establishing a new benchmark for whole-body human pose prior modeling.

3D meshes are widely used in computer vision and graphics for their efficiency in animation and minimal memory use, playing a crucial role in movies, games, AR, and VR. However, creating temporally consistent and realistic textures for mesh sequences remains labor-intensive for professional artists. On the other hand, while video diffusion models excel at text-driven video generation, they often lack 3D geometry awareness and struggle with achieving multi-view consistent texturing for 3D meshes. In this work, we present Tex4D, a zero-shot approach that integrates inherent 3D geometry knowledge from mesh sequences with the expressiveness of video diffusion models to produce multi-view and temporally consistent 4D textures. Given an untextured mesh sequence and a text prompt as inputs, our method enhances multi-view consistency by synchronizing the diffusion process across different views through latent aggregation in the UV space. To ensure temporal consistency, we leverage prior knowledge from a conditional video generation model for texture synthesis. However, straightforwardly combining the video diffusion model and the UV texture aggregation leads to blurry results. We analyze the underlying causes and propose a simple yet effective modification to the DDIM sampling process to address this issue. Additionally, we introduce a reference latent texture to strengthen the correlation between frames during the denoising process. To the best of our knowledge, Tex4D is the first method specifically designed for 4D scene texturing. Extensive experiments demonstrate its superiority in producing multi-view and multi-frame consistent videos based on untextured mesh sequences.

Generative Language Models (GLMs) have shown impressive performance in tasks such as text generation, understanding, and reasoning. However, the large model size poses challenges for practical deployment. To solve this problem, Quantization-Aware Training (QAT) has become increasingly popular. However, current QAT methods for generative models have resulted in a noticeable loss of accuracy. To counteract this issue, we propose a novel knowledge distillation method specifically designed for GLMs. Our method, called token-scaled logit distillation, prevents overfitting and provides superior learning from the teacher model and ground truth. This research marks the first evaluation of ternary weight quantization-aware training of large-scale GLMs with less than 1.0 degradation in perplexity and no loss of accuracy in a reasoning task.

Sequential recommendation (SR), which encodes user activity to predict the next action, has emerged as a widely adopted strategy in developing commercial personalized recommendation systems. A critical component of modern SR models is the attention mechanism, which synthesizes users' historical activities. This mechanism is typically order-invariant and generally relies on position encoding (PE). Conventional SR models simply assign a learnable vector to each position, resulting in only modest gains compared to traditional recommendation models. Moreover, limited research has been conducted on position encoding tailored for sequential recommendation, leaving a significant gap in addressing its unique requirements. To bridge this gap, we propose a novel Contextual-Aware Position Encoding method for sequential recommendation, abbreviated as CAPE. To the best of our knowledge, CAPE is the first PE method specifically designed for sequential recommendation. Comprehensive experiments conducted on benchmark SR datasets demonstrate that CAPE consistently enhances multiple mainstream backbone models and achieves state-of-the-art performance, across small and large scale model size. Furthermore, we deployed CAPE in an industrial setting on a real-world commercial platform, clearly showcasing the effectiveness of our approach. Our source code is available at https://github.com/yjdy/CAPE.

Competition-level code generation tasks pose significant challenges for current state-of-the-art large language models (LLMs). For example, on the LiveCodeBench-Hard dataset, models such as O1-Mini and O1-Preview achieve pass@1 rates of only 0.366 and 0.143, respectively. While tree search techniques have proven effective in domains like mathematics and general coding, their potential in competition-level code generation remains under-explored. In this work, we propose a novel token-level tree search method specifically designed for code generation. Leveraging Qwen2.5-Coder-32B-Instruct, our approach achieves a pass rate of 0.305 on LiveCodeBench-Hard, surpassing the pass@100 performance of GPT4o-0513 (0.245). Furthermore, by integrating Chain-of-Thought (CoT) prompting, we improve our method's performance to 0.351, approaching O1-Mini's pass@1 rate. To ensure reproducibility, we report the average number of generations required per problem by our tree search method on the test set. Our findings underscore the potential of tree search to significantly enhance performance on competition-level code generation tasks. This opens up new possibilities for large-scale synthesis of challenging code problems supervised fine-tuning (SFT) data, advancing competition-level code generation tasks.

The increasing success of deep neural networks has raised concerns about their inherent black-box nature, posing challenges related to interpretability and trust. While there has been extensive exploration of interpretation techniques in vision and language, interpretability in the audio domain has received limited attention, primarily focusing on post-hoc explanations. This paper addresses the problem of interpretability by-design in the audio domain by utilizing the recently proposed attention-free focal modulation networks (FocalNets). We apply FocalNets to the task of environmental sound classification for the first time and evaluate their interpretability properties on the popular ESC-50 dataset. Our method outperforms a similarly sized vision transformer both in terms of accuracy and interpretability. Furthermore, it is competitive against PIQ, a method specifically designed for post-hoc interpretation in the audio domain.

Image-level contrastive representation learning has proven to be highly effective as a generic model for transfer learning. Such generality for transfer learning, however, sacrifices specificity if we are interested in a certain downstream task. We argue that this could be sub-optimal and thus advocate a design principle which encourages alignment between the self-supervised pretext task and the downstream task. In this paper, we follow this principle with a pretraining method specifically designed for the task of object detection. We attain alignment in the following three aspects: 1) object-level representations are introduced via selective search bounding boxes as object proposals; 2) the pretraining network architecture incorporates the same dedicated modules used in the detection pipeline (e.g. FPN); 3) the pretraining is equipped with object detection properties such as object-level translation invariance and scale invariance. Our method, called Selective Object COntrastive learning (SoCo), achieves state-of-the-art results for transfer performance on COCO detection using a Mask R-CNN framework. Code is available at https://github.com/hologerry/SoCo.

Patent claims define the scope of protection and establish the legal boundaries of an invention. Drafting these claims is a complex and time-consuming process that usually requires the expertise of skilled patent attorneys, which can form a large access barrier for many small enterprises. To solve these challenges, researchers have investigated the use of large language models (LLMs) for automating patent claim generation. However, existing studies highlight inconsistencies between automated evaluation metrics and human expert assessments. To bridge this gap, we introduce Patent-CE, the first comprehensive benchmark for evaluating patent claims. Patent-CE includes comparative claim evaluations annotated by patent experts, focusing on five key criteria: feature completeness, conceptual clarity, terminology consistency, logical linkage, and overall quality. Additionally, we propose PatClaimEval, a novel multi-dimensional evaluation method specifically designed for patent claims. Our experiments demonstrate that PatClaimEval achieves the highest correlation with human expert evaluations across all assessment criteria among all tested metrics. This research provides the groundwork for more accurate evaluations of automated patent claim generation systems.

Large Vision Language Models (LVLMs) have been widely adopted to guide vision foundation models in performing reasoning segmentation tasks, achieving impressive performance. However, the substantial computational overhead associated with LVLMs presents a new challenge. The primary source of this computational cost arises from processing hundreds of image tokens. Therefore, an effective strategy to mitigate such overhead is to reduce the number of image tokens, a process known as image token pruning. Previous studies on image token pruning for LVLMs have primarily focused on high level visual understanding tasks, such as visual question answering and image captioning. In contrast, guiding vision foundation models to generate accurate visual masks based on textual queries demands precise semantic and spatial reasoning capabilities. Consequently, pruning methods must carefully control individual image tokens throughout the LVLM reasoning process. Our empirical analysis reveals that existing methods struggle to adequately balance reductions in computational overhead with the necessity to maintain high segmentation accuracy. In this work, we propose LVLM_CSP, a novel training free visual token pruning method specifically designed for LVLM based reasoning segmentation tasks. LVLM_CSP consists of three stages: clustering, scattering, and pruning. Initially, the LVLM performs coarse-grained visual reasoning using a subset of selected image tokens. Next, fine grained reasoning is conducted, and finally, most visual tokens are pruned in the last stage. Extensive experiments demonstrate that LVLM_CSP achieves a 65% reduction in image token inference FLOPs with virtually no accuracy degradation, and a 70% reduction with only a minor 1% drop in accuracy on the 7B LVLM.

Due to the lack of paired samples and the low signal-to-noise ratio of functional MRI (fMRI) signals, reconstructing perceived natural images or decoding their semantic contents from fMRI data are challenging tasks. In this work, we propose, for the first time, a task-agnostic fMRI-based brain decoding model, BrainCLIP, which leverages CLIP's cross-modal generalization ability to bridge the modality gap between brain activity, image, and text. Our experiments demonstrate that CLIP can act as a pivot for generic brain decoding tasks, including zero-shot visual categories decoding, fMRI-image/text matching, and fMRI-to-image generation. Specifically, BrainCLIP aims to train a mapping network that transforms fMRI patterns into a well-aligned CLIP embedding space by combining visual and textual supervision. Our experiments show that this combination can boost the decoding model's performance on certain tasks like fMRI-text matching and fMRI-to-image generation. On the zero-shot visual category decoding task, BrainCLIP achieves significantly better performance than BraVL, a recently proposed multi-modal method specifically designed for this task. BrainCLIP can also reconstruct visual stimuli with high semantic fidelity and establishes a new state-of-the-art for fMRI-based natural image reconstruction in terms of high-level semantic features.

This paper poses two critical issues in evaluating base models (without post-training): (1) Unstable evaluation during training: in the early stages of pre-training, the models lack the capability to answer questions as required, leading to unstable evaluation results. This instability makes it difficult to provide solid conclusions to guide the training, especially for key experiments such as data ablation and scaling law. (2) Inconsistency between base and instruct models: base models generally exhibit poorer evaluation performance compared to corresponding instruct models. This gap poses a challenge for assessing whether a base model with better evaluation can truly lead to a better instruct model. To address these issues, we propose Base model Oriented Systematic Evaluation (BOSE), a method specifically designed to optimize the evaluation of base models. Specifically, BOSE introduces two key innovations: In-Context Light-instruction Prompt (ICLiP) for open-ended tasks and Blank-ppl for multi-choice tasks with candidate options, which transforms the standard perplexity (ppl) metric into a fill-in-the-blank format to mitigate early-stage evaluation fluctuations. Furthermore, we are the first to propose Kendall's rank correlation to quantitatively measure the evaluation stability and consistency. Experimental results demonstrate that BOSE significantly enhances both the stability of evaluations during pre-training and the consistency between base and instruct models, thereby providing more reliable guidance for the LLMs' training.

The Maximal Update Parametrization (muP) aims to make the optimal hyperparameters (HPs) of a model independent of its size, allowing them to be swept using a cheap proxy model rather than the full-size target model. We present a new scheme, u-muP, which improves upon muP by combining it with Unit Scaling, a method for designing models that makes them easy to train in low-precision. The two techniques have a natural affinity: muP ensures that the scale of activations is independent of model size, and Unit Scaling ensures that activations, weights and gradients begin training with a scale of one. This synthesis opens the door to a simpler scheme, whose default values are near-optimal. This in turn facilitates a more efficient sweeping strategy, with u-muP models reaching a lower loss than comparable muP models and working out-of-the-box in FP8.

Generating fine-grained video descriptions is a fundamental challenge in video understanding. In this work, we introduce Tarsier, a family of large-scale video-language models designed to generate high-quality video descriptions. Tarsier employs CLIP-ViT to encode frames separately and then uses an LLM to model temporal relationships. Despite its simple architecture, we demonstrate that with a meticulously designed two-stage training procedure, the Tarsier models exhibit substantially stronger video description capabilities than any existing open-source model, showing a +51.4% advantage in human side-by-side evaluation over the strongest model. Additionally, they are comparable to state-of-the-art proprietary models, with a +12.3% advantage against GPT-4V and a -6.7% disadvantage against Gemini 1.5 Pro. Besides video description, Tarsier proves to be a versatile generalist model, achieving new state-of-the-art results across nine public benchmarks, including multi-choice VQA, open-ended VQA, and zero-shot video captioning. Our second contribution is the introduction of a new benchmark for evaluating video description models, consisting of a new challenging dataset featuring videos from diverse sources and varying complexity, along with an automatic method specifically designed to assess the quality of fine-grained video descriptions. We make our models and evaluation benchmark publicly available at https://github.com/bytedance/tarsier.

Long-range sequence processing poses a significant challenge for Transformers due to their quadratic complexity in input length. A promising alternative is Mamba, which demonstrates high performance and achieves Transformer-level capabilities while requiring substantially fewer computational resources. In this paper we explore the length-generalization capabilities of Mamba, which we find to be relatively limited. Through a series of visualizations and analyses we identify that the limitations arise from a restricted effective receptive field, dictated by the sequence length used during training. To address this constraint, we introduce DeciMamba, a context-extension method specifically designed for Mamba. This mechanism, built on top of a hidden filtering mechanism embedded within the S6 layer, enables the trained model to extrapolate well even without additional training. Empirical experiments over real-world long-range NLP tasks show that DeciMamba can extrapolate to context lengths that are 25x times longer than the ones seen during training, and does so without utilizing additional computational resources. We will release our code and models.

In Information Retrieval, and more generally in Natural Language Processing, adapting models to specific domains is conducted through fine-tuning. Despite the successes achieved by this method and its versatility, the need for human-curated and labeled data makes it impractical to transfer to new tasks, domains, and/or languages when training data doesn't exist. Using the model without training (zero-shot) is another option that however suffers an effectiveness cost, especially in the case of first-stage retrievers. Numerous research directions have emerged to tackle these issues, most of them in the context of adapting to a task or a language. However, the literature is scarcer for domain (or topic) adaptation. In this paper, we address this issue of cross-topic discrepancy for a sparse first-stage retriever by transposing a method initially designed for language adaptation. By leveraging pre-training on the target data to learn domain-specific knowledge, this technique alleviates the need for annotated data and expands the scope of domain adaptation. Despite their relatively good generalization ability, we show that even sparse retrievers can benefit from our simple domain adaptation method.

Semantic similarity measures are widely used in natural language processing to catalyze various computer-related tasks. However, no single semantic similarity measure is the most appropriate for all tasks, and researchers often use ensemble strategies to ensure performance. This research work proposes a method for automatically designing semantic similarity ensembles. In fact, our proposed method uses grammatical evolution, for the first time, to automatically select and aggregate measures from a pool of candidates to create an ensemble that maximizes correlation to human judgment. The method is evaluated on several benchmark datasets and compared to state-of-the-art ensembles, showing that it can significantly improve similarity assessment accuracy and outperform existing methods in some cases. As a result, our research demonstrates the potential of using grammatical evolution to automatically compare text and prove the benefits of using ensembles for semantic similarity tasks. The source code that illustrates our approach can be downloaded from https://github.com/jorge-martinez-gil/sesige.

Cis-regulatory elements (CREs), such as promoters and enhancers, are relatively short DNA sequences that directly regulate gene expression. The fitness of CREs, measured by their ability to modulate gene expression, highly depends on the nucleotide sequences, especially specific motifs known as transcription factor binding sites (TFBSs). Designing high-fitness CREs is crucial for therapeutic and bioengineering applications. Current CRE design methods are limited by two major drawbacks: (1) they typically rely on iterative optimization strategies that modify existing sequences and are prone to local optima, and (2) they lack the guidance of biological prior knowledge in sequence optimization. In this paper, we address these limitations by proposing a generative approach that leverages reinforcement learning (RL) to fine-tune a pre-trained autoregressive (AR) model. Our method incorporates data-driven biological priors by deriving computational inference-based rewards that simulate the addition of activator TFBSs and removal of repressor TFBSs, which are then integrated into the RL process. We evaluate our method on promoter design tasks in two yeast media conditions and enhancer design tasks for three human cell types, demonstrating its ability to generate high-fitness CREs while maintaining sequence diversity. The code is available at https://github.com/yangzhao1230/TACO.

Understanding causality should be a core requirement of any attempt to build real impact through AI. Due to the inherent unobservability of counterfactuals, large randomised trials (RCTs) are the standard for causal inference. But large experiments are generically expensive, and randomisation carries its own costs, e.g. when suboptimal decisions are trialed. Recent work has proposed more sample-efficient alternatives to RCTs, but these are not adaptable to the downstream application for which the causal effect is sought. In this work, we develop a task-specific approach to experimental design and derive sampling strategies customised to particular downstream applications. Across a range of important tasks, real-world datasets, and sample sizes, our method outperforms other benchmarks, e.g. requiring an order-of-magnitude less data to match RCT performance on targeted marketing tasks.

Quantum kernels hold great promise for offering computational advantages over classical learners, with the effectiveness of these kernels closely tied to the design of the quantum feature map. However, the challenge of designing effective quantum feature maps for real-world datasets, particularly in the absence of sufficient prior information, remains a significant obstacle. In this study, we present a data-driven approach that automates the design of problem-specific quantum feature maps. Our approach leverages feature-selection techniques to handle high-dimensional data on near-term quantum machines with limited qubits, and incorporates a deep neural predictor to efficiently evaluate the performance of various candidate quantum kernels. Through extensive numerical simulations on different datasets, we demonstrate the superiority of our proposal over prior methods, especially for the capability of eliminating the kernel concentration issue and identifying the feature map with prediction advantages. Our work not only unlocks the potential of quantum kernels for enhancing real-world tasks but also highlights the substantial role of deep learning in advancing quantum machine learning.

In 2020, we introduced a deep reinforcement learning method capable of generating superhuman chip layouts, which we then published in Nature and open-sourced on GitHub. AlphaChip has inspired an explosion of work on AI for chip design, and has been deployed in state-of-the-art chips across Alphabet and extended by external chipmakers. Even so, a non-peer-reviewed invited paper at ISPD 2023 questioned its performance claims, despite failing to run our method as described in Nature. For example, it did not pre-train the RL method (removing its ability to learn from prior experience), used substantially fewer compute resources (20x fewer RL experience collectors and half as many GPUs), did not train to convergence (standard practice in machine learning), and evaluated on test cases that are not representative of modern chips. Recently, Igor Markov published a meta-analysis of three papers: our peer-reviewed Nature paper, the non-peer-reviewed ISPD paper, and Markov's own unpublished paper (though he does not disclose that he co-authored it). Although AlphaChip has already achieved widespread adoption and impact, we publish this response to ensure that no one is wrongly discouraged from innovating in this impactful area.

Current visual foundation models are trained purely on unstructured 2D data, limiting their understanding of 3D structure of objects and scenes. In this work, we show that fine-tuning on 3D-aware data improves the quality of emerging semantic features. We design a method to lift semantic 2D features into an efficient 3D Gaussian representation, which allows us to re-render them for arbitrary views. Using the rendered 3D-aware features, we design a fine-tuning strategy to transfer such 3D awareness into a 2D foundation model. We demonstrate that models fine-tuned in that way produce features that readily improve downstream task performance in semantic segmentation and depth estimation through simple linear probing. Notably, though fined-tuned on a single indoor dataset, the improvement is transferable to a variety of indoor datasets and out-of-domain datasets. We hope our study encourages the community to consider injecting 3D awareness when training 2D foundation models. Project page: https://ywyue.github.io/FiT3D.

Despite recent advances in text-to-3D generative methods, there is a notable absence of reliable evaluation metrics. Existing metrics usually focus on a single criterion each, such as how well the asset aligned with the input text. These metrics lack the flexibility to generalize to different evaluation criteria and might not align well with human preferences. Conducting user preference studies is an alternative that offers both adaptability and human-aligned results. User studies, however, can be very expensive to scale. This paper presents an automatic, versatile, and human-aligned evaluation metric for text-to-3D generative models. To this end, we first develop a prompt generator using GPT-4V to generate evaluating prompts, which serve as input to compare text-to-3D models. We further design a method instructing GPT-4V to compare two 3D assets according to user-defined criteria. Finally, we use these pairwise comparison results to assign these models Elo ratings. Experimental results suggest our metric strongly align with human preference across different evaluation criteria.

3D shape modeling is labor-intensive, time-consuming, and requires years of expertise. To facilitate 3D shape modeling, we propose a 3D shape generation network that takes a 3D VR sketch as a condition. We assume that sketches are created by novices without art training and aim to reconstruct geometrically realistic 3D shapes of a given category. To handle potential sketch ambiguity, our method creates multiple 3D shapes that align with the original sketch's structure. We carefully design our method, training the model step-by-step and leveraging multi-modal 3D shape representation to support training with limited training data. To guarantee the realism of generated 3D shapes we leverage the normalizing flow that models the distribution of the latent space of 3D shapes. To encourage the fidelity of the generated 3D shapes to an input sketch, we propose a dedicated loss that we deploy at different stages of the training process. The code is available at https://github.com/Rowl1ng/3Dsketch2shape.

Scientific researchers need intensive information about datasets to effectively evaluate and develop theories and methodologies. The information needs regarding datasets are implicitly embedded in particular research tasks, rather than explicitly expressed in search queries. However, existing scientific retrieval and question-answering (QA) datasets typically address straightforward questions, which do not align with the distribution of real-world research inquiries. To bridge this gap, we developed ScIRGen, a dataset generation framework for scientific QA \& retrieval that more accurately reflects the information needs of professional science researchers, and uses it to create a large-scale scientific retrieval-augmented generation (RAG) dataset with realistic queries, datasets and papers. Technically, we designed a dataset-oriented information extraction method that leverages academic papers to augment the dataset representation. We then proposed a question generation framework by employing cognitive taxonomy to ensure the quality of synthesized questions. We also design a method to automatically filter synthetic answers based on the perplexity shift of LLMs, which is highly aligned with human judgment of answers' validity. Collectively, these methodologies culminated in the creation of the 61k QA dataset, ScIRGen-Geo. We benchmarked representative methods on the ScIRGen-Geo dataset for their question-answering and retrieval capabilities, finding out that current methods still suffer from reasoning from complex questions. This work advances the development of more sophisticated tools to support the intricate information needs of the scientific community.

Applications of deep learning for audio effects often focus on modeling analog effects or learning to control effects to emulate a trained audio engineer. However, deep learning approaches also have the potential to expand creativity through neural audio effects that enable new sound transformations. While recent work demonstrated that neural networks with random weights produce compelling audio effects, control of these effects is limited and unintuitive. To address this, we introduce a method for the steerable discovery of neural audio effects. This method enables the design of effects using example recordings provided by the user. We demonstrate how this method produces an effect similar to the target effect, along with interesting inaccuracies, while also providing perceptually relevant controls.

Spatial reasoning is an important component of human intelligence. We can imagine the shapes of 3D objects and reason about their spatial relations by merely looking at their three-view line drawings in 2D, with different levels of competence. Can deep networks be trained to perform spatial reasoning tasks? How can we measure their "spatial intelligence"? To answer these questions, we present the SPARE3D dataset. Based on cognitive science and psychometrics, SPARE3D contains three types of 2D-3D reasoning tasks on view consistency, camera pose, and shape generation, with increasing difficulty. We then design a method to automatically generate a large number of challenging questions with ground truth answers for each task. They are used to provide supervision for training our baseline models using state-of-the-art architectures like ResNet. Our experiments show that although convolutional networks have achieved superhuman performance in many visual learning tasks, their spatial reasoning performance on SPARE3D tasks is either lower than average human performance or even close to random guesses. We hope SPARE3D can stimulate new problem formulations and network designs for spatial reasoning to empower intelligent robots to operate effectively in the 3D world via 2D sensors. The dataset and code are available at https://ai4ce.github.io/SPARE3D.

Large Language Models (LLMs) have exhibited exceptional performance across a broad range of tasks and domains. However, they still encounter difficulties in solving mathematical problems due to the rigorous and logical nature of mathematics. Previous studies have employed techniques such as supervised fine-tuning (SFT), prompt engineering, and search-based methods to improve the mathematical problem-solving abilities of LLMs. Despite these efforts, their performance remains suboptimal and demands substantial computational resources. To address this issue, we propose a novel approach, BEATS, to enhance mathematical problem-solving abilities. Our method leverages newly designed prompts that guide the model to iteratively rewrite, advance by one step, and generate answers based on previous steps. Additionally, we introduce a new back-verification technique that uses LLMs to validate the correctness of the generated answers. Furthermore, we employ a pruning tree search to optimize search time while achieving strong performance. Notably, our method improves Qwen2-7b-Instruct's score from 36.94 to 61.52, outperforming GPT4's 42.5 on the MATH benchmark.

Safety, security, and compliance are essential requirements when aligning large language models (LLMs). However, many seemingly aligned LLMs are soon shown to be susceptible to jailbreak attacks. These attacks aim to circumvent the models' safety guardrails and security mechanisms by introducing jailbreak prompts into malicious queries. In response to these challenges, this paper introduces Defensive Prompt Patch (DPP), a novel prompt-based defense mechanism specifically designed to protect LLMs against such sophisticated jailbreak strategies. Unlike previous approaches, which have often compromised the utility of the model for the sake of safety, DPP is designed to achieve a minimal Attack Success Rate (ASR) while preserving the high utility of LLMs. Our method uses strategically designed interpretable suffix prompts that effectively thwart a wide range of standard and adaptive jailbreak techniques. Empirical results conducted on LLAMA-2-7B-Chat and Mistral-7B-Instruct-v0.2 models demonstrate the robustness and adaptability of DPP, showing significant reductions in ASR with negligible impact on utility. Our approach not only outperforms existing defense strategies in balancing safety and functionality, but also provides a scalable and interpretable solution applicable to various LLM platforms.

Although large pre-trained models of code have delivered significant advancements in various code processing tasks, there is an impediment to the wide and fluent adoption of these powerful models in software developers' daily workflow: these large models consume hundreds of megabytes of memory and run slowly on personal devices, which causes problems in model deployment and greatly degrades the user experience. It motivates us to propose Compressor, a novel approach that can compress the pre-trained models of code into extremely small models with negligible performance sacrifice. Our proposed method formulates the design of tiny models as simplifying the pre-trained model architecture: searching for a significantly smaller model that follows an architectural design similar to the original pre-trained model. Compressor proposes a genetic algorithm (GA)-based strategy to guide the simplification process. Prior studies found that a model with higher computational cost tends to be more powerful. Inspired by this insight, the GA algorithm is designed to maximize a model's Giga floating-point operations (GFLOPs), an indicator of the model computational cost, to satisfy the constraint of the target model size. Then, we use the knowledge distillation technique to train the small model: unlabelled data is fed into the large model and the outputs are used as labels to train the small model. We evaluate Compressor with two state-of-the-art pre-trained models, i.e., CodeBERT and GraphCodeBERT, on two important tasks, i.e., vulnerability prediction and clone detection. We use our method to compress pre-trained models to a size (3 MB), which is 160times smaller than the original size. The results show that compressed CodeBERT and GraphCodeBERT are 4.31times and 4.15times faster than the original model at inference, respectively. More importantly, ...

Peer review, as a cornerstone of scientific research, ensures the integrity and quality of scholarly work by providing authors with objective feedback for refinement. However, in the traditional peer review process, authors often receive vague or insufficiently detailed feedback, which provides limited assistance and leads to a more time-consuming review cycle. If authors can identify some specific weaknesses in their paper, they can not only address the reviewer's concerns but also improve their work. This raises the critical question of how to enhance authors' comprehension of review comments. In this paper, we present SEAGraph, a novel framework developed to clarify review comments by uncovering the underlying intentions behind them. We construct two types of graphs for each paper: the semantic mind graph, which captures the author's thought process, and the hierarchical background graph, which delineates the research domains related to the paper. A retrieval method is then designed to extract relevant content from both graphs, facilitating coherent explanations for the review comments. Extensive experiments show that SEAGraph excels in review comment understanding tasks, offering significant benefits to authors.

Research into the prediction and analysis of perceived audio quality is hampered by the scarcity of openly available datasets of audio signals accompanied by corresponding subjective quality scores. To address this problem, we present the Open Dataset of Audio Quality (ODAQ), a new dataset containing the results of a MUSHRA listening test conducted with expert listeners from 2 international laboratories. ODAQ contains 240 audio samples and corresponding quality scores. Each audio sample is rated by 26 listeners. The audio samples are stereo audio signals sampled at 44.1 or 48 kHz and are processed by a total of 6 method classes, each operating at different quality levels. The processing method classes are designed to generate quality degradations possibly encountered during audio coding and source separation, and the quality levels for each method class span the entire quality range. The diversity of the processing methods, the large span of quality levels, the high sampling frequency, and the pool of international listeners make ODAQ particularly suited for further research into subjective and objective audio quality. The dataset is released with permissive licenses, and the software used to conduct the listening test is also made publicly available.

Recently, the retrieval models based on dense representations have been gradually applied in the first stage of the document retrieval tasks, showing better performance than traditional sparse vector space models. To obtain high efficiency, the basic structure of these models is Bi-encoder in most cases. However, this simple structure may cause serious information loss during the encoding of documents since the queries are agnostic. To address this problem, we design a method to mimic the queries on each of the documents by an iterative clustering process and represent the documents by multiple pseudo queries (i.e., the cluster centroids). To boost the retrieval process using approximate nearest neighbor search library, we also optimize the matching function with a two-step score calculation procedure. Experimental results on several popular ranking and QA datasets show that our model can achieve state-of-the-art results.

The rapid development of AR/VR brings tremendous demands for 3D content. While the widely-used Computer-Aided Design (CAD) method requires a time-consuming and labor-intensive modeling process, sketch-based 3D modeling offers a potential solution as a natural form of computer-human interaction. However, the sparsity and ambiguity of sketches make it challenging to generate high-fidelity content reflecting creators' ideas. Precise drawing from multiple views or strategic step-by-step drawings is often required to tackle the challenge but is not friendly to novice users. In this work, we introduce a novel end-to-end approach, Deep3DSketch+, which performs 3D modeling using only a single free-hand sketch without inputting multiple sketches or view information. Specifically, we introduce a lightweight generation network for efficient inference in real-time and a structural-aware adversarial training approach with a Stroke Enhancement Module (SEM) to capture the structural information to facilitate learning of the realistic and fine-detailed shape structures for high-fidelity performance. Extensive experiments demonstrated the effectiveness of our approach with the state-of-the-art (SOTA) performance on both synthetic and real datasets.

We report a flexible language-model based deep learning strategy, applied here to solve complex forward and inverse problems in protein modeling, based on an attention neural network that integrates transformer and graph convolutional architectures in a causal multi-headed graph mechanism, to realize a generative pretrained model. The model is applied to predict secondary structure content (per-residue level and overall content), protein solubility, and sequencing tasks. Further trained on inverse tasks, the model is rendered capable of designing proteins with these properties as target features. The model is formulated as a general framework, completely prompt-based, and can be adapted for a variety of downstream tasks. We find that adding additional tasks yields emergent synergies that the model exploits in improving overall performance, beyond what would be possible by training a model on each dataset alone. Case studies are presented to validate the method, yielding protein designs specifically focused on structural proteins, but also exploring the applicability in the design of soluble, antimicrobial biomaterials. While our model is trained to ultimately perform 8 distinct tasks, with available datasets it can be extended to solve additional problems. In a broader sense, this work illustrates a form of multiscale modeling that relates a set of ultimate building blocks (here, byte-level utf8 characters) to complex output. This materiomic scheme captures complex emergent relationships between universal building block and resulting properties via a synergizing learning capacity to express a set of potentialities embedded in the knowledge used in training, via the interplay of universality and diversity.

Imperceptible digital watermarking is important in copyright protection, misinformation prevention, and responsible generative AI. We propose TrustMark - a GAN-based watermarking method with novel design in architecture and spatio-spectra losses to balance the trade-off between watermarked image quality with the watermark recovery accuracy. Our model is trained with robustness in mind, withstanding various in- and out-place perturbations on the encoded image. Additionally, we introduce TrustMark-RM - a watermark remover method useful for re-watermarking. Our methods achieve state-of-art performance on 3 benchmarks comprising arbitrary resolution images.

We introduce light diffusion, a novel method to improve lighting in portraits, softening harsh shadows and specular highlights while preserving overall scene illumination. Inspired by professional photographers' diffusers and scrims, our method softens lighting given only a single portrait photo. Previous portrait relighting approaches focus on changing the entire lighting environment, removing shadows (ignoring strong specular highlights), or removing shading entirely. In contrast, we propose a learning based method that allows us to control the amount of light diffusion and apply it on in-the-wild portraits. Additionally, we design a method to synthetically generate plausible external shadows with sub-surface scattering effects while conforming to the shape of the subject's face. Finally, we show how our approach can increase the robustness of higher level vision applications, such as albedo estimation, geometry estimation and semantic segmentation.

In this paper, we present BEVerse, a unified framework for 3D perception and prediction based on multi-camera systems. Unlike existing studies focusing on the improvement of single-task approaches, BEVerse features in producing spatio-temporal Birds-Eye-View (BEV) representations from multi-camera videos and jointly reasoning about multiple tasks for vision-centric autonomous driving. Specifically, BEVerse first performs shared feature extraction and lifting to generate 4D BEV representations from multi-timestamp and multi-view images. After the ego-motion alignment, the spatio-temporal encoder is utilized for further feature extraction in BEV. Finally, multiple task decoders are attached for joint reasoning and prediction. Within the decoders, we propose the grid sampler to generate BEV features with different ranges and granularities for different tasks. Also, we design the method of iterative flow for memory-efficient future prediction. We show that the temporal information improves 3D object detection and semantic map construction, while the multi-task learning can implicitly benefit motion prediction. With extensive experiments on the nuScenes dataset, we show that the multi-task BEVerse outperforms existing single-task methods on 3D object detection, semantic map construction, and motion prediction. Compared with the sequential paradigm, BEVerse also favors in significantly improved efficiency. The code and trained models will be released at https://github.com/zhangyp15/BEVerse.

Long sequence modeling has gained broad interest as large language models (LLMs) continue to advance. Recent research has identified that a large portion of hidden states within the key-value caches of Transformer models can be discarded (also termed evicted) without affecting the perplexity performance in generating long sequences. However, we show that these methods, despite preserving perplexity performance, often drop information that is important for solving downstream tasks, a problem which we call information neglect. To address this issue, we introduce Chunked Instruction-aware State Eviction (CItruS), a novel modeling technique that integrates the attention preferences useful for a downstream task into the eviction process of hidden states. In addition, we design a method for chunked sequence processing to further improve efficiency. Our training-free method exhibits superior performance on long sequence comprehension and retrieval tasks over several strong baselines under the same memory budget, while preserving language modeling perplexity.

Rapidly developing large language models (LLMs) have brought tremendous intelligent applications. Especially, the GPT-4o's excellent duplex speech interaction ability has brought impressive experience to users. Researchers have recently proposed several multi-modal LLMs in this direction that can achieve user-agent speech-to-speech conversations. This paper proposes a novel speech-text multimodal LLM architecture called Freeze-Omni. Our main contribution is that the speech input and output modalities can be easily connected to a textual LLM while keeping the LLM's parameters frozen throughout the training process. We design a three-stage training strategy for modeling both the speech input and output, enabling Freeze-Omni to obtain speech-to-speech conversation ability using text-speech paired data (such as ASR and TTS data) and only 60,000 multi-round text Q&A data on 8 GPUs. Moreover, we can effectively ensure that the intelligence of the Freeze-Omni in the speech modality is at the same level compared with that in the text modality of its backbone LLM, while achieving low latency end-to-end spoken response. In addition, we also designed a method to achieve duplex dialogue ability through multi-task training, giving Freeze-Omni a more natural style of dialogue ability between users and agents. In summary, Freeze-Omni holds great potential to conduct speech-to-speech dialogue based on a multimodal LLM under the condition of a frozen LLM, avoiding the catastrophic forgetting problem caused by limited data and training resources.

Adversarial training (AT) is a canonical method for enhancing the robustness of deep neural networks (DNNs). However, recent studies empirically demonstrated that it suffers from robust overfitting, i.e., a long time AT can be detrimental to the robustness of DNNs. This paper presents a theoretical explanation of robust overfitting for DNNs. Specifically, we non-trivially extend the neural tangent kernel (NTK) theory to AT and prove that an adversarially trained wide DNN can be well approximated by a linearized DNN. Moreover, for squared loss, closed-form AT dynamics for the linearized DNN can be derived, which reveals a new AT degeneration phenomenon: a long-term AT will result in a wide DNN degenerates to that obtained without AT and thus cause robust overfitting. Based on our theoretical results, we further design a method namely Adv-NTK, the first AT algorithm for infinite-width DNNs. Experiments on real-world datasets show that Adv-NTK can help infinite-width DNNs enhance comparable robustness to that of their finite-width counterparts, which in turn justifies our theoretical findings. The code is available at https://github.com/fshp971/adv-ntk.

We present SpanBERT, a pre-training method that is designed to better represent and predict spans of text. Our approach extends BERT by (1) masking contiguous random spans, rather than random tokens, and (2) training the span boundary representations to predict the entire content of the masked span, without relying on the individual token representations within it. SpanBERT consistently outperforms BERT and our better-tuned baselines, with substantial gains on span selection tasks such as question answering and coreference resolution. In particular, with the same training data and model size as BERT-large, our single model obtains 94.6% and 88.7% F1 on SQuAD 1.1 and 2.0, respectively. We also achieve a new state of the art on the OntoNotes coreference resolution task (79.6\% F1), strong performance on the TACRED relation extraction benchmark, and even show gains on GLUE.

Stable locomotion in precipitous environments is an essential capability of quadruped robots, demanding the ability to resist various external disturbances. However, recent learning-based policies only use basic domain randomization to improve the robustness of learned policies, which cannot guarantee that the robot has adequate disturbance resistance capabilities. In this paper, we propose to model the learning process as an adversarial interaction between the actor and a newly introduced disturber and ensure their optimization with H_{infty} constraint. In contrast to the actor that maximizes the discounted overall reward, the disturber is responsible for generating effective external forces and is optimized by maximizing the error between the task reward and its oracle, i.e., "cost" in each iteration. To keep joint optimization between the actor and the disturber stable, our H_{infty} constraint mandates the bound of ratio between the cost to the intensity of the external forces. Through reciprocal interaction throughout the training phase, the actor can acquire the capability to navigate increasingly complex physical disturbances. We verify the robustness of our approach on quadrupedal locomotion tasks with Unitree Aliengo robot, and also a more challenging task with Unitree A1 robot, where the quadruped is expected to perform locomotion merely on its hind legs as if it is a bipedal robot. The simulated quantitative results show improvement against baselines, demonstrating the effectiveness of the method and each design choice. On the other hand, real-robot experiments qualitatively exhibit how robust the policy is when interfering with various disturbances on various terrains, including stairs, high platforms, slopes, and slippery terrains. All code, checkpoints, and real-world deployment guidance will be made public.

As large language models (LLMs) are applied to more use cases, creating high quality, task-specific datasets for fine-tuning becomes a bottleneck for model improvement. Using high quality human data has been the most common approach to unlock model performance, but is prohibitively expensive in many scenarios. Several alternative methods have also emerged, such as generating synthetic or hybrid data, but the effectiveness of these approaches remain unclear, especially in resource-constrained scenarios and tasks that are not easily verified. To investigate this, we group various synthetic data generation strategies into three representative categories -- Answer Augmentation, Question Rephrase and New Question -- and study the performance of student LLMs trained under various constraints, namely seed instruction set size and query budget. We demonstrate that these strategies are not equally effective across settings. Notably, the optimal data generation strategy depends strongly on the ratio between the available teacher query budget and the size of the seed instruction set. When this ratio is low, generating new answers to existing questions proves most effective, but as this ratio increases, generating new questions becomes optimal. Across all tasks, we find that choice of augmentation method and other design choices matter substantially more in low to mid data regimes than in high data regimes. We provide a practical framework for selecting the appropriate augmentation method across settings, taking into account additional factors such as the scalability of each method, the importance of verifying synthetic data, and the use of different LLMs for synthetic data generation.

Diffusion inversion is the problem of taking an image and a text prompt that describes it and finding a noise latent that would generate the image. Most current inversion techniques operate by approximately solving an implicit equation and may converge slowly or yield poor reconstructed images. Here, we formulate the problem as finding the roots of an implicit equation and design a method to solve it efficiently. Our solution is based on Newton-Raphson (NR), a well-known technique in numerical analysis. A naive application of NR may be computationally infeasible and tends to converge to incorrect solutions. We describe an efficient regularized formulation that converges quickly to a solution that provides high-quality reconstructions. We also identify a source of inconsistency stemming from prompt conditioning during the inversion process, which significantly degrades the inversion quality. To address this, we introduce a prompt-aware adjustment of the encoding, effectively correcting this issue. Our solution, Regularized Newton-Raphson Inversion, inverts an image within 0.5 sec for latent consistency models, opening the door for interactive image editing. We further demonstrate improved results in image interpolation and generation of rare objects.

Although powerful graph neural networks (GNNs) have boosted numerous real-world applications, the potential privacy risk is still underexplored. To close this gap, we perform the first comprehensive study of graph reconstruction attack that aims to reconstruct the adjacency of nodes. We show that a range of factors in GNNs can lead to the surprising leakage of private links. Especially by taking GNNs as a Markov chain and attacking GNNs via a flexible chain approximation, we systematically explore the underneath principles of graph reconstruction attack, and propose two information theory-guided mechanisms: (1) the chain-based attack method with adaptive designs for extracting more private information; (2) the chain-based defense method that sharply reduces the attack fidelity with moderate accuracy loss. Such two objectives disclose a critical belief that to recover better in attack, you must extract more multi-aspect knowledge from the trained GNN; while to learn safer for defense, you must forget more link-sensitive information in training GNNs. Empirically, we achieve state-of-the-art results on six datasets and three common GNNs. The code is publicly available at: https://github.com/tmlr-group/MC-GRA.

Document retrieval is an important task for search and Retrieval-Augmented Generation (RAG) applications. Large Language Models (LLMs) have contributed to improving the accuracy of text-based document retrieval. However, documents with complex layout and visual elements like tables, charts and infographics are not perfectly represented in textual format. Recently, image-based document retrieval pipelines have become popular, which use visual large language models (VLMs) to retrieve relevant page images given a query. Current evaluation benchmarks on visual document retrieval are limited, as they primarily focus only English language, rely on synthetically generated questions and offer a small corpus size. Therefore, we introduce MIRACL-VISION, a multilingual visual document retrieval evaluation benchmark. MIRACL-VISION covers 18 languages, and is an extension of the MIRACL dataset, a popular benchmark to evaluate text-based multilingual retrieval pipelines. MIRACL was built using a human-intensive annotation process to generate high-quality questions. In order to reduce MIRACL-VISION corpus size to make evaluation more compute friendly while keeping the datasets challenging, we have designed a method for eliminating the "easy" negatives from the corpus. We conducted extensive experiments comparing MIRACL-VISION with other benchmarks, using popular public text and image models. We observe a gap in state-of-the-art VLM-based embedding models on multilingual capabilities, with up to 59.7% lower retrieval accuracy than a text-based retrieval models. Even for the English language, the visual models retrieval accuracy is 12.1% lower compared to text-based models. MIRACL-VISION is a challenging, representative, multilingual evaluation benchmark for visual retrieval pipelines and will help the community build robust models for document retrieval.

Enabling Large Language Models (LLMs) to generate citations in Question-Answering (QA) tasks is an emerging paradigm aimed at enhancing the verifiability of their responses when LLMs are utilizing external references to generate an answer. However, there is currently no unified framework to standardize and fairly compare different citation generation methods, leading to difficulties in reproducing different methods and a comprehensive assessment. To cope with the problems above, we introduce \name, an open-source and modular toolkit designed to facilitate the implementation and evaluation of existing citation generation methods, while also fostering the development of new approaches to improve citation quality in LLM outputs. This tool is highly extensible, allowing users to utilize 4 main modules and 14 components to construct a pipeline, evaluating an existing method or innovative designs. Our experiments with two state-of-the-art LLMs and 11 citation generation baselines demonstrate varying strengths of different modules in answer accuracy and citation quality improvement, as well as the challenge of enhancing granularity. Based on our analysis of the effectiveness of components, we propose a new method, self-RAG \snippet, obtaining a balanced answer accuracy and citation quality. Citekit is released at https://github.com/SjJ1017/Citekit.

Large language models (LLMs) have garnered significant attention in both the AI community and beyond. Among these, the Generative Pre-trained Transformer (GPT) has emerged as the dominant architecture, spawning numerous variants. However, these variants have undergone pre-training under diverse conditions, including variations in input data, data preprocessing, and training methodologies, resulting in a lack of controlled comparative studies. Here we meticulously examine two prominent open-sourced GPT architectures, GPT-NeoX and LLaMA, leveraging the computational power of Frontier, the world's first Exascale supercomputer. Employing the same materials science text corpus and a comprehensive end-to-end pipeline, we conduct a comparative analysis of their training and downstream performance. Our efforts culminate in achieving state-of-the-art performance on a challenging materials science benchmark. Furthermore, we investigate the computation and energy efficiency, and propose a computationally efficient method for architecture design. To our knowledge, these pre-trained models represent the largest available for materials science. Our findings provide practical guidance for building LLMs on HPC platforms.

Large language models have demonstrated remarkable performance across various natural language processing tasks; however, their efficacy in more challenging and domain-specific tasks remains less explored. This paper introduces the GAOKAO-Benchmark (GAOKAO-Bench), an intuitive benchmark that employs questions from the Chinese Gaokao examination as test samples for evaluating large language models.In order to align the evaluation results with humans as much as possible, we designed a method based on zero-shot prompts to analyze the accuracy and scoring rate of the model by dividing the questions into subjective and objective types. We evaluated the ChatGPT model on GAOKAO-Benchmark performance.Our findings reveal that the ChatGPT model excels in tackling objective questions, while also shedding light on its shortcomings and areas for improvement. To further scrutinize the model's responses, we incorporate human evaluations.In conclusion, this research contributes a robust evaluation benchmark for future large-scale language models and offers valuable insights into the limitations of such models.

Evaluating user interface (UI) design effectiveness extends beyond aesthetics to influencing user behavior, a principle central to Design Persuasiveness. A/B testing is the predominant method for determining which UI variations drive higher user engagement, but it is costly and time-consuming. While recent Vision-Language Models (VLMs) can process automated UI analysis, current approaches focus on isolated design attributes rather than comparative persuasiveness-the key factor in optimizing user interactions. To address this, we introduce WiserUI-Bench, a benchmark designed for Pairwise UI Design Persuasiveness Assessment task, featuring 300 real-world UI image pairs labeled with A/B test results and expert rationales. Additionally, we propose G-FOCUS, a novel inference-time reasoning strategy that enhances VLM-based persuasiveness assessment by reducing position bias and improving evaluation accuracy. Experimental results show that G-FOCUS surpasses existing inference strategies in consistency and accuracy for pairwise UI evaluation. Through promoting VLM-driven evaluation of UI persuasiveness, our work offers an approach to complement A/B testing, propelling progress in scalable UI preference modeling and design optimization. Code and data will be released publicly.

A modified LAB algorithm is introduced in this paper. It builds upon the original LAB algorithm (Reddy et al. 2023), which is a socio-inspired algorithm that models competitive and learning behaviours within a group, establishing hierarchical roles. The proposed algorithm incorporates the roulette wheel approach and a reduction factor introducing inter-group competition and iteratively narrowing down the sample space. The algorithm is validated by solving the benchmark test problems from CEC 2005 and CEC 2017. The solutions are validated using standard statistical tests such as two-sided and pairwise signed rank Wilcoxon test and Friedman rank test. The algorithm exhibited improved and superior robustness as well as search space exploration capabilities. Furthermore, a Clustering-Based Search Space Reduction (C-SSR) method is proposed, making the algorithm capable to solve constrained problems. The C-SSR method enables the algorithm to identify clusters of feasible regions, satisfying the constraints and contributing to achieve the optimal solution. This method demonstrates its effectiveness as a potential alternative to traditional constraint handling techniques. The results obtained using the Modified LAB algorithm are then compared with those achieved by other recent metaheuristic algorithms.

The computational prediction and design of peptide binders targeting specific linear epitopes is crucial in biological and biomedical research, yet it remains challenging due to their highly dynamic nature and the scarcity of experimentally solved binding data. To address this problem, we built an unprecedentedly large-scale library of peptide pairs within stable secondary structures (beta sheets), leveraging newly available AlphaFold predicted structures. We then developed a machine learning method based on the Transformer architecture for the design of specific linear binders, in analogy to a language translation task. Our method, TransformerBeta, accurately predicts specific beta strand interactions and samples sequences with beta sheet-like molecular properties, while capturing interpretable physico-chemical interaction patterns. As such, it can propose specific candidate binders targeting linear epitope for experimental validation to inform protein design.

As the issue of global climate change becomes increasingly severe, the demand for research in climate science continues to grow. Natural language processing technologies, represented by Large Language Models (LLMs), have been widely applied to climate change-specific research, providing essential information support for decision-makers and the public. Some studies have improved model performance on relevant tasks by constructing climate change-related instruction data and instruction-tuning LLMs. However, current research remains inadequate in efficiently producing large volumes of high-precision instruction data for climate change, which limits further development of climate change LLMs. This study introduces an automated method for constructing instruction data. The method generates instructions using facts and background knowledge from documents and enhances the diversity of the instruction data through web scraping and the collection of seed instructions. Using this method, we constructed a climate change instruction dataset, named ClimateChat-Corpus, which was used to fine-tune open-source LLMs, resulting in an LLM named ClimateChat. Evaluation results show that ClimateChat significantly improves performance on climate change question-and-answer tasks. Additionally, we evaluated the impact of different base models and instruction data on LLM performance and demonstrated its capability to adapt to a wide range of climate change scientific discovery tasks, emphasizing the importance of selecting an appropriate base model for instruction tuning. This research provides valuable references and empirical support for constructing climate change instruction data and training climate change-specific LLMs.

Despite significant popularity, Large-language Models (LLMs) require explicit, contextual facts to support domain-specific knowledge-intensive tasks in the design process. The applications built using LLMs should hence adopt Retrieval-Augmented Generation (RAG) to better suit the design process. In this article, we present a data-driven method to identify explicit facts from patent documents that provide standard descriptions of over 8 million artefacts. In our method, we train roBERTa Transformer-based sequence classification models using our dataset of 44,227 sentences and facts. Upon classifying tokens in a sentence as entities or relationships, our method uses another classifier to identify specific relationship tokens for a given pair of entities so that explicit facts of the form head entity :: relationship :: tail entity are identified. In the benchmark approaches for constructing facts, we use linear classifiers and Graph Neural Networks (GNNs) both incorporating BERT Transformer-based token embeddings to predict associations among the entities and relationships. We apply our method to 4,870 fan system related patents and populate a knowledge base of around 3 million facts. Upon retrieving the facts representing generalisable domain knowledge and the knowledge of specific subsystems and issues, we demonstrate how these facts contextualise LLMs for generating text that is more relevant to the design process.

Segmenting biomarkers in medical images is crucial for various biotech applications. Despite advances, Transformer and CNN based methods often struggle with variations in staining and morphology, limiting feature extraction. In medical image segmentation, where datasets often have limited sample availability, recent state-of-the-art (SOTA) methods achieve higher accuracy by leveraging pre-trained encoders, whereas end-to-end methods tend to underperform. This is due to challenges in effectively transferring rich multiscale features from encoders to decoders, as well as limitations in decoder efficiency. To address these issues, we propose an architecture that captures multi-scale local and global contextual information and a novel decoder design, which effectively integrates features from the encoder, emphasizes important channels and regions, and reconstructs spatial dimensions to enhance segmentation accuracy. Our method, compatible with various encoders, outperforms SOTA methods, as demonstrated by experiments on four datasets and ablation studies. Specifically, our method achieves absolute performance gains of 2.76% on MoNuSeg, 3.12% on DSB, 2.87% on Electron Microscopy, and 4.03% on TNBC datasets compared to existing SOTA methods. Code: https://github.com/saadwazir/MCADS-Decoder

Reward functions are central in reinforcement learning (RL), guiding agents towards optimal decision-making. The complexity of RL tasks requires meticulously designed reward functions that effectively drive learning while avoiding unintended consequences. Effective reward design aims to provide signals that accelerate the agent's convergence to optimal behavior. Crafting rewards that align with task objectives, foster desired behaviors, and prevent undesirable actions is inherently challenging. This thesis delves into the critical role of reward signals in RL, highlighting their impact on the agent's behavior and learning dynamics and addressing challenges such as delayed, ambiguous, or intricate rewards. In this thesis work, we tackle different aspects of reward shaping. First, we address the problem of designing informative and interpretable reward signals from a teacher's/expert's perspective (teacher-driven). Here, the expert, equipped with the optimal policy and the corresponding value function, designs reward signals that expedite the agent's convergence to optimal behavior. Second, we build on this teacher-driven approach by introducing a novel method for adaptive interpretable reward design. In this scenario, the expert tailors the rewards based on the learner's current policy, ensuring alignment and optimal progression. Third, we propose a meta-learning approach, enabling the agent to self-design its reward signals online without expert input (agent-driven). This self-driven method considers the agent's learning and exploration to establish a self-improving feedback loop.

This paper presents a data-driven, task-specific paradigm for experimental design, to shorten acquisition time, reduce costs, and accelerate the deployment of imaging devices. Current approaches in experimental design focus on model-parameter estimation and require specification of a particular model, whereas in imaging, other tasks may drive the design. Furthermore, such approaches often lead to intractable optimization problems in real-world imaging applications. Here we present a new paradigm for experimental design that simultaneously optimizes the design (set of image channels) and trains a machine-learning model to execute a user-specified image-analysis task. The approach obtains data densely-sampled over the measurement space (many image channels) for a small number of acquisitions, then identifies a subset of channels of prespecified size that best supports the task. We propose a method: TADRED for TAsk-DRiven Experimental Design in imaging, to identify the most informative channel-subset whilst simultaneously training a network to execute the task given the subset. Experiments demonstrate the potential of TADRED in diverse imaging applications: several clinically-relevant tasks in magnetic resonance imaging; and remote sensing and physiological applications of hyperspectral imaging. Results show substantial improvement over classical experimental design, two recent application-specific methods within the new paradigm, and state-of-the-art approaches in supervised feature selection. We anticipate further applications of our approach. Code is available: https://github.com/sbb-gh/experimental-design-multichannel

We identify and overcome two key obstacles in extending the success of BERT-style pre-training, or the masked image modeling, to convolutional networks (convnets): (i) convolution operation cannot handle irregular, random-masked input images; (ii) the single-scale nature of BERT pre-training is inconsistent with convnet's hierarchical structure. For (i), we treat unmasked pixels as sparse voxels of 3D point clouds and use sparse convolution to encode. This is the first use of sparse convolution for 2D masked modeling. For (ii), we develop a hierarchical decoder to reconstruct images from multi-scale encoded features. Our method called Sparse masKed modeling (SparK) is general: it can be used directly on any convolutional model without backbone modifications. We validate it on both classical (ResNet) and modern (ConvNeXt) models: on three downstream tasks, it surpasses both state-of-the-art contrastive learning and transformer-based masked modeling by similarly large margins (around +1.0%). Improvements on object detection and instance segmentation are more substantial (up to +3.5%), verifying the strong transferability of features learned. We also find its favorable scaling behavior by observing more gains on larger models. All this evidence reveals a promising future of generative pre-training on convnets. Codes and models are released at https://github.com/keyu-tian/SparK.

Diffusion models have achieved remarkable success in the domain of text-guided image generation and, more recently, in text-guided image editing. A commonly adopted strategy for editing real images involves inverting the diffusion process to obtain a noisy representation of the original image, which is then denoised to achieve the desired edits. However, current methods for diffusion inversion often struggle to produce edits that are both faithful to the specified text prompt and closely resemble the source image. To overcome these limitations, we introduce a novel and adaptable diffusion inversion technique for real image editing, which is grounded in a theoretical analysis of the role of eta in the DDIM sampling equation for enhanced editability. By designing a universal diffusion inversion method with a time- and region-dependent eta function, we enable flexible control over the editing extent. Through a comprehensive series of quantitative and qualitative assessments, involving a comparison with a broad array of recent methods, we demonstrate the superiority of our approach. Our method not only sets a new benchmark in the field but also significantly outperforms existing strategies.

Recent years have seen substantial progress in diffusion-based controllable video generation. However, achieving precise control in complex scenarios, including fine-grained object parts, sophisticated motion trajectories, and coherent background movement, remains a challenge. In this paper, we introduce TrackGo, a novel approach that leverages free-form masks and arrows for conditional video generation. This method offers users with a flexible and precise mechanism for manipulating video content. We also propose the TrackAdapter for control implementation, an efficient and lightweight adapter designed to be seamlessly integrated into the temporal self-attention layers of a pretrained video generation model. This design leverages our observation that the attention map of these layers can accurately activate regions corresponding to motion in videos. Our experimental results demonstrate that our new approach, enhanced by the TrackAdapter, achieves state-of-the-art performance on key metrics such as FVD, FID, and ObjMC scores. The project page of TrackGo can be found at: https://zhtjtcz.github.io/TrackGo-Page/

High-dimensional vector embeddings are widely used in retrieval systems, yet dimensionality reduction (DR) is seldom applied due to its tendency to distort nearest-neighbor (NN) structure critical for search. Existing DR techniques such as PCA and UMAP optimize global or manifold-preserving criteria, rather than retrieval-specific objectives. We present MPAD: Maximum Pairwise Absolute Difference, an unsupervised DR method that explicitly preserves approximate NN relations by maximizing the margin between k-NNs and non-k-NNs under a soft orthogonality constraint. This design enables MPAD to retain ANN-relevant geometry without supervision or changes to the original embedding model. Experiments across multiple domains show that MPAD consistently outperforms standard DR methods in preserving neighborhood structure, enabling more accurate search in reduced dimensions.

We introduce a gradient-free framework for Bayesian Optimal Experimental Design (BOED) in sequential settings, aimed at complex systems where gradient information is unavailable. Our method combines Ensemble Kalman Inversion (EKI) for design optimization with the Affine-Invariant Langevin Dynamics (ALDI) sampler for efficient posterior sampling-both of which are derivative-free and ensemble-based. To address the computational challenges posed by nested expectations in BOED, we propose variational Gaussian and parametrized Laplace approximations that provide tractable upper and lower bounds on the Expected Information Gain (EIG). These approximations enable scalable utility estimation in high-dimensional spaces and PDE-constrained inverse problems. We demonstrate the performance of our framework through numerical experiments ranging from linear Gaussian models to PDE-based inference tasks, highlighting the method's robustness, accuracy, and efficiency in information-driven experimental design.

This paper evaluates questions generated by LLMs from context, comparing them to human-generated questions across six dimensions. We introduce an automated LLM-based evaluation method, focusing on aspects like question length, type, context coverage, and answerability. Our findings highlight unique characteristics of LLM-generated questions, contributing insights that can support further research in question quality and downstream applications.

Inverse design, where we seek to design input variables in order to optimize an underlying objective function, is an important problem that arises across fields such as mechanical engineering to aerospace engineering. Inverse design is typically formulated as an optimization problem, with recent works leveraging optimization across learned dynamics models. However, as models are optimized they tend to fall into adversarial modes, preventing effective sampling. We illustrate that by instead optimizing over the learned energy function captured by the diffusion model, we can avoid such adversarial examples and significantly improve design performance. We further illustrate how such a design system is compositional, enabling us to combine multiple different diffusion models representing subcomponents of our desired system to design systems with every specified component. In an N-body interaction task and a challenging 2D multi-airfoil design task, we demonstrate that by composing the learned diffusion model at test time, our method allows us to design initial states and boundary shapes that are more complex than those in the training data. Our method generalizes to more objects for N-body dataset and discovers formation flying to minimize drag in the multi-airfoil design task. Project website and code can be found at https://github.com/AI4Science-WestlakeU/cindm.

The rising number of the elderly incurs growing concern about healthcare, and in particular rehabilitation healthcare. Assistive technology and assistive robotics in particular may help to improve this process. We develop a robot coach capable of demonstrating rehabilitation exercises to patients, watch a patient carry out the exercises and give him feedback so as to improve his performance and encourage him. The HRI of the system is based on our study with a team of rehabilitation therapists and with the target population.The system relies on human motion analysis. We develop a method for learning a probabilistic representation of ideal movements from expert demonstrations. A Gaussian Mixture Model is employed from position and orientation features captured using a Microsoft Kinect v2. For assessing patients' movements, we propose a real-time multi-level analysis to both temporally and spatially identify and explain body part errors. This analysis combined with a classification algorithm allows the robot to provide coaching advice to make the patient improve his movements. The evaluation on three rehabilitation exercises shows the potential of the proposed approach for learning and assessing kinaesthetic movements.

Few-shot classification involves identifying new categories using a limited number of labeled samples. Current few-shot classification methods based on local descriptors primarily leverage underlying consistent features across visible and invisible classes, facing challenges including redundant neighboring information, noisy representations, and limited interpretability. This paper proposes a Feature Aligning Few-shot Learning Method Using Local Descriptors Weighted Rules (FAFD-LDWR). It innovatively introduces a cross-normalization method into few-shot image classification to preserve the discriminative information of local descriptors as much as possible; and enhances classification performance by aligning key local descriptors of support and query sets to remove background noise. FAFD-LDWR performs excellently on three benchmark datasets , outperforming state-of-the-art methods in both 1-shot and 5-shot settings. The designed visualization experiments also demonstrate FAFD-LDWR's improvement in prediction interpretability.

This paper presents a method that allows users to design cinematic video shots in the context of image-to-video generation. Shot design, a critical aspect of filmmaking, involves meticulously planning both camera movements and object motions in a scene. However, enabling intuitive shot design in modern image-to-video generation systems presents two main challenges: first, effectively capturing user intentions on the motion design, where both camera movements and scene-space object motions must be specified jointly; and second, representing motion information that can be effectively utilized by a video diffusion model to synthesize the image animations. To address these challenges, we introduce MotionCanvas, a method that integrates user-driven controls into image-to-video (I2V) generation models, allowing users to control both object and camera motions in a scene-aware manner. By connecting insights from classical computer graphics and contemporary video generation techniques, we demonstrate the ability to achieve 3D-aware motion control in I2V synthesis without requiring costly 3D-related training data. MotionCanvas enables users to intuitively depict scene-space motion intentions, and translates them into spatiotemporal motion-conditioning signals for video diffusion models. We demonstrate the effectiveness of our method on a wide range of real-world image content and shot-design scenarios, highlighting its potential to enhance the creative workflows in digital content creation and adapt to various image and video editing applications.

Discovering novel drug candidate molecules is one of the most fundamental and critical steps in drug development. Generative deep learning models, which create synthetic data given a probability distribution, offer a high potential for designing de novo molecules. However, to be utilisable in real life drug development pipelines, these models should be able to design drug like and target centric molecules. In this study, we propose an end to end generative system, DrugGEN, for the de novo design of drug candidate molecules that interact with intended target proteins. The proposed method represents molecules as graphs and processes them via a generative adversarial network comprising graph transformer layers. The system is trained using a large dataset of drug like compounds and target specific bioactive molecules to design effective inhibitory molecules against the AKT1 protein, which is critically important in developing treatments for various types of cancer. We conducted molecular docking and dynamics to assess the target centric generation performance of the model, as well as attention score visualisation to examine model interpretability. In parallel, selected compounds were chemically synthesised and evaluated in the context of in vitro enzymatic assays, which identified two bioactive molecules that inhibited AKT1 at low micromolar concentrations. These results indicate that DrugGEN's de novo molecules have a high potential for interacting with the AKT1 protein at the level of its native ligands. Using the open access DrugGEN codebase, it is possible to easily train models for other druggable proteins, given a dataset of experimentally known bioactive molecules.

Understanding real-world videos with complex semantics and long temporal dependencies remains a fundamental challenge in computer vision. Recent progress in multimodal large language models (MLLMs) has demonstrated strong capabilities in vision-language tasks, while reinforcement learning tuning (RLT) has further improved their reasoning abilities. In this work, we explore RLT as a post-training strategy to enhance the video-specific reasoning capabilities of MLLMs. Built upon the Group Relative Policy Optimization (GRPO) framework, we propose a dual-reward formulation that supervises both semantic and temporal reasoning through discrete and continuous reward signals. To facilitate effective preference-based optimization, we introduce a variance-aware data selection strategy based on repeated inference to identify samples that provide informative learning signals. We evaluate our approach across eight representative video understanding tasks, including VideoQA, Temporal Video Grounding, and Grounded VideoQA. Our method consistently outperforms supervised fine-tuning and existing RLT baselines, achieving superior performance with significantly less training data. These results underscore the importance of reward design and data selection in advancing reasoning-centric video understanding with MLLMs. Notably, The initial code release (two months ago) has now been expanded with updates, including optimized reward mechanisms and additional datasets. The latest version is available at https://github.com/appletea233/Temporal-R1 .

Realistic digital garment modeling remains a labor-intensive task due to the intricate process of translating 2D sewing patterns into high-fidelity, simulation-ready 3D garments. We introduce GarmageNet, a unified generative framework that automates the creation of 2D sewing patterns, the construction of sewing relationships, and the synthesis of 3D garment initializations compatible with physics-based simulation. Central to our approach is Garmage, a novel garment representation that encodes each panel as a structured geometry image, effectively bridging the semantic and geometric gap between 2D structural patterns and 3D garment shapes. GarmageNet employs a latent diffusion transformer to synthesize panel-wise geometry images and integrates GarmageJigsaw, a neural module for predicting point-to-point sewing connections along panel contours. To support training and evaluation, we build GarmageSet, a large-scale dataset comprising over 10,000 professionally designed garments with detailed structural and style annotations. Our method demonstrates versatility and efficacy across multiple application scenarios, including scalable garment generation from multi-modal design concepts (text prompts, sketches, photographs), automatic modeling from raw flat sewing patterns, pattern recovery from unstructured point clouds, and progressive garment editing using conventional instructions-laying the foundation for fully automated, production-ready pipelines in digital fashion. Project page: https://style3d.github.io/garmagenet.

Innovations like protein diffusion have enabled significant progress in de novo protein design, which is a vital topic in life science. These methods typically depend on protein structure encoders to model residue backbone frames, where atoms do not exist. Most prior encoders rely on atom-wise features, such as angles and distances between atoms, which are not available in this context. Thus far, only several simple encoders, such as IPA, have been proposed for this scenario, exposing the frame modeling as a bottleneck. In this work, we proffer the Vector Field Network (VFN), which enables network layers to perform learnable vector computations between coordinates of frame-anchored virtual atoms, thus achieving a higher capability for modeling frames. The vector computation operates in a manner similar to a linear layer, with each input channel receiving 3D virtual atom coordinates instead of scalar values. The multiple feature vectors output by the vector computation are then used to update the residue representations and virtual atom coordinates via attention aggregation. Remarkably, VFN also excels in modeling both frames and atoms, as the real atoms can be treated as the virtual atoms for modeling, positioning VFN as a potential universal encoder. In protein diffusion (frame modeling), VFN exhibits an impressive performance advantage over IPA, excelling in terms of both designability (67.04% vs. 53.58%) and diversity (66.54% vs. 51.98%). In inverse folding (frame and atom modeling), VFN outperforms the previous SoTA model, PiFold (54.7% vs. 51.66%), on sequence recovery rate. We also propose a method of equipping VFN with the ESM model, which significantly surpasses the previous ESM-based SoTA (62.67% vs. 55.65%), LM-Design, by a substantial margin.

Guidance in conditional diffusion generation is of great importance for sample quality and controllability. However, existing guidance schemes are to be desired. On one hand, mainstream methods such as classifier guidance and classifier-free guidance both require extra training with labeled data, which is time-consuming and unable to adapt to new conditions. On the other hand, training-free methods such as universal guidance, though more flexible, have yet to demonstrate comparable performance. In this work, through a comprehensive investigation into the design space, we show that it is possible to achieve significant performance improvements over existing guidance schemes by leveraging off-the-shelf classifiers in a training-free fashion, enjoying the best of both worlds. Employing calibration as a general guideline, we propose several pre-conditioning techniques to better exploit pretrained off-the-shelf classifiers for guiding diffusion generation. Extensive experiments on ImageNet validate our proposed method, showing that state-of-the-art diffusion models (DDPM, EDM, DiT) can be further improved (up to 20%) using off-the-shelf classifiers with barely any extra computational cost. With the proliferation of publicly available pretrained classifiers, our proposed approach has great potential and can be readily scaled up to text-to-image generation tasks. The code is available at https://github.com/AlexMaOLS/EluCD/tree/main.

The past decade has seen vast progress in deep reinforcement learning (RL) on the back of algorithms manually designed by human researchers. Recently, it has been shown that it is possible to meta-learn update rules, with the hope of discovering algorithms that can perform well on a wide range of RL tasks. Despite impressive initial results from algorithms such as Learned Policy Gradient (LPG), there remains a generalization gap when these algorithms are applied to unseen environments. In this work, we examine how characteristics of the meta-training distribution impact the generalization performance of these algorithms. Motivated by this analysis and building on ideas from Unsupervised Environment Design (UED), we propose a novel approach for automatically generating curricula to maximize the regret of a meta-learned optimizer, in addition to a novel approximation of regret, which we name algorithmic regret (AR). The result is our method, General RL Optimizers Obtained Via Environment Design (GROOVE). In a series of experiments, we show that GROOVE achieves superior generalization to LPG, and evaluate AR against baseline metrics from UED, identifying it as a critical component of environment design in this setting. We believe this approach is a step towards the discovery of truly general RL algorithms, capable of solving a wide range of real-world environments.

The significant advancements of Large Language Models (LLMs) in generative tasks have led to a growing body of work exploring LLM-based embedding models. While these models, employing different pooling and attention strategies, have achieved state-of-the-art performance on public embedding benchmarks, questions still arise about what constitutes an effective design for LLM-based embedding models. However, these models are often trained on different datasets, using different LLM base models or training settings. Moreover, evaluations on public embedding benchmarks often fail to report statistical significance, making it difficult to determine which designs truly contribute to final performance. This complicates the process for practitioners seeking optimal training recipes for LLM-based embedding models. In this study, we conduct a large-scale experiment by training a series of LLM-based embedding models using the same training data and base model but differing in their pooling and attention strategies. The results show that there is no one-size-fits-all solution: while bidirectional attention and an additional trainable pooling layer outperform in text similarity and information retrieval tasks, they do not significantly surpass simpler designs like EOS-last token pooling and default causal attention in clustering and classification tasks. Furthermore, we propose a new pooling strategy, Multi-Layers Trainable Pooling, which transforms the outputs of all hidden layers, rather than just the last layer, using a cross-attention network. This method proves to be statistically superior in text similarity and retrieval tasks compared to existing pooling methods. Overall, this paper sheds light on effective training strategies for LLM-based embedding models.

The success of artificial neural networks (ANNs) hinges greatly on the judicious selection of an activation function, introducing non-linearity into network and enabling them to model sophisticated relationships in data. However, the search of activation functions has largely relied on empirical knowledge in the past, lacking theoretical guidance, which has hindered the identification of more effective activation functions. In this work, we offer a proper solution to such issue. Firstly, we theoretically demonstrate the existence of the worst activation function with boundary conditions (WAFBC) from the perspective of information entropy. Furthermore, inspired by the Taylor expansion form of information entropy functional, we propose the Entropy-based Activation Function Optimization (EAFO) methodology. EAFO methodology presents a novel perspective for designing static activation functions in deep neural networks and the potential of dynamically optimizing activation during iterative training. Utilizing EAFO methodology, we derive a novel activation function from ReLU, known as Correction Regularized ReLU (CRReLU). Experiments conducted with vision transformer and its variants on CIFAR-10, CIFAR-100 and ImageNet-1K datasets demonstrate the superiority of CRReLU over existing corrections of ReLU. Extensive empirical studies on task of large language model (LLM) fine-tuning, CRReLU exhibits superior performance compared to GELU, suggesting its broader potential for practical applications.

Coding assistants are increasingly leveraged in game design, both generating code and making high-level plans. To what degree can these tools align with developer workflows, and what new modes of human-computer interaction can emerge from their use? We present DreamGarden, an AI system capable of assisting with the development of diverse game environments in Unreal Engine. At the core of our method is an LLM-driven planner, capable of breaking down a single, high-level prompt -- a dream, memory, or imagined scenario provided by a human user -- into a hierarchical action plan, which is then distributed across specialized submodules facilitating concrete implementation. This system is presented to the user as a garden of plans and actions, both growing independently and responding to user intervention via seed prompts, pruning, and feedback. Through a user study, we explore design implications of this system, charting courses for future work in semi-autonomous assistants and open-ended simulation design.

An emerging area of research aims to learn deep generative models with limited training data. Prior generative models like GANs and diffusion models require a lot of data to perform well, and their performance degrades when they are trained on only a small amount of data. A recent technique called Implicit Maximum Likelihood Estimation (IMLE) has been adapted to the few-shot setting, achieving state-of-the-art performance. However, current IMLE-based approaches encounter challenges due to inadequate correspondence between the latent codes selected for training and those drawn during inference. This results in suboptimal test-time performance. We theoretically show a way to address this issue and propose RS-IMLE, a novel approach that changes the prior distribution used for training. This leads to substantially higher quality image generation compared to existing GAN and IMLE-based methods, as validated by comprehensive experiments conducted on nine few-shot image datasets.

Large language models (LLMs) have demonstrated remarkable capabilities across various tasks but still face challenges such as hallucinations. One potential reason for hallucinations is the lack of relevant knowledge or context. Thus, a promising solution to mitigate this issue involves instructing LLMs to respond with "I do not know" when a question falls outside their knowledge domain or the provided context. However, in this work, we observed that LLMs struggle to admit their lack of knowledge, primarily due to existing instruction datasets designed to encourage specific answers. To improve large language models' capability to recognize the boundaries of their knowledge, we propose a novel approach called uncertainty-sensitive tuning. This method involves two-stage training designed for uncertainty recognition and prompt-sensitive activation. In the first stage, we guide the LLM to reject unknown questions. In the second stage, we recover the decreased performance in QA tasks by incorporating designed causal instructions. By leveraging this method, we aim to enhance the model's ability to identify areas of uncertainty. The experimental results demonstrate that our proposed uncertainty-sensitive tuning method significantly improves the performance of the Llama2-chat-7B model. Specifically, it achieves a substantial 34.7% improvement in handling questions involving knowledge gaps compared to the original model. Moreover, our approach outperforms GPT-4, exhibiting a 9.4% increase in overall performance. We open-source the model and code on GitHub.

We present Cephalo, a series of multimodal vision large language models (V-LLMs) designed for materials science applications, integrating visual and linguistic data for enhanced understanding and interaction within human-AI and multi-agent AI frameworks. A key innovation of Cephalo is its advanced dataset generation method, which employs a sophisticated algorithm to accurately detect and separate images and their corresponding textual descriptions from PDF documents, such as scientific papers. The method includes a careful refinement of image-text pairs through integrated vision and language processing, ensuring high-quality, contextually relevant, and well reasoned training data. Cephalo is trained on integrated image and text data extracted from thousands of scientific papers and science-focused Wikipedia pages demonstrates can interpret complex visual scenes, generate precise language descriptions, and answer queries about images effectively. The combination of a vision encoder with an autoregressive transformer supports complex natural language understanding in an integrated model, which can be coupled with other generative methods to create an image-to-text-to-image or image-to-text-to-3D pipeline. To explore the development of larger models from smaller ones, we merge sets of layers that originate from different pre-trained source models. This hybrid approach allows us to leverage the domain-specific expertise and general conversational capabilities to harness the strengths of multiple models. We examine the models in diverse use cases that incorporate biological materials, fracture and engineering analysis, protein biophysics, and bio-inspired design based on insect behavior. Generative applications include bio-inspired designs, including pollen-inspired architected materials, as well as the synthesis of bio-inspired material microstructures from a photograph of a solar eclipse.

Traditional time-series forecasting often focuses only on minimizing prediction errors, ignoring the specific requirements of real-world applications that employ them. This paper presents a new training methodology, which allows a forecasting model to dynamically adjust its focus based on the importance of forecast ranges specified by the end application. Unlike previous methods that fix these ranges beforehand, our training approach breaks down predictions over the entire signal range into smaller segments, which are then dynamically weighted and combined to produce accurate forecasts. We tested our method on standard datasets, including a new dataset from wireless communication, and found that not only it improves prediction accuracy but also improves the performance of end application employing the forecasting model. This research provides a basis for creating forecasting systems that better connect prediction and decision-making in various practical applications.

Describing skills in natural language has the potential to provide an accessible way to inject human knowledge about decision-making into an AI system. We present MaestroMotif, a method for AI-assisted skill design, which yields high-performing and adaptable agents. MaestroMotif leverages the capabilities of Large Language Models (LLMs) to effectively create and reuse skills. It first uses an LLM's feedback to automatically design rewards corresponding to each skill, starting from their natural language description. Then, it employs an LLM's code generation abilities, together with reinforcement learning, for training the skills and combining them to implement complex behaviors specified in language. We evaluate MaestroMotif using a suite of complex tasks in the NetHack Learning Environment (NLE), demonstrating that it surpasses existing approaches in both performance and usability.

This paper describes a method combining Bayesian optimization (BO) and a lamped-capacitance thermal circuit network model that is effective for speeding up the thermal design optimization of an electronic circuit board layout with transient heating chips. As electronic devices have become smaller and more complex, the importance of thermal design optimization to ensure heat dissipation performance has increased. However, such thermal design optimization is difficult because it is necessary to consider various trade-offs associated with packaging and transient temperature changes of heat-generating components. This study aims to improve the performance of thermal design optimization by artificial intelligence. BO using a Gaussian process was combined with the lamped-capacitance thermal circuit network model, and its performance was verified by case studies. As a result, BO successfully found the ideal circuit board layout as well as particle swarm optimization (PSO) and genetic algorithm (GA) could. The CPU time for BO was 1/5 and 1/4 of that for PSO and GA, respectively. In addition, BO found a non-intuitive optimal solution in approximately 7 minutes from 10 million layout patterns. It was estimated that this was 1/1000 of the CPU time required for analyzing all layout patterns.

In this paper, we propose a multimodal search engine that combines visual and textual cues to retrieve items from a multimedia database aesthetically similar to the query. The goal of our engine is to enable intuitive retrieval of fashion merchandise such as clothes or furniture. Existing search engines treat textual input only as an additional source of information about the query image and do not correspond to the real-life scenario where the user looks for 'the same shirt but of denim'. Our novel method, dubbed DeepStyle, mitigates those shortcomings by using a joint neural network architecture to model contextual dependencies between features of different modalities. We prove the robustness of this approach on two different challenging datasets of fashion items and furniture where our DeepStyle engine outperforms baseline methods by 18-21% on the tested datasets. Our search engine is commercially deployed and available through a Web-based application.

Protein family design emerges as a promising alternative by combining the advantages of de novo protein design and mutation-based directed evolution.In this paper, we propose ProfileBFN, the Profile Bayesian Flow Networks, for specifically generative modeling of protein families. ProfileBFN extends the discrete Bayesian Flow Network from an MSA profile perspective, which can be trained on single protein sequences by regarding it as a degenerate profile, thereby achieving efficient protein family design by avoiding large-scale MSA data construction and training. Empirical results show that ProfileBFN has a profound understanding of proteins. When generating diverse and novel family proteins, it can accurately capture the structural characteristics of the family. The enzyme produced by this method is more likely than the previous approach to have the corresponding function, offering better odds of generating diverse proteins with the desired functionality.

Handcrafting heuristics for solving complex planning tasks (e.g., NP-hard combinatorial optimization (CO) problems) is a common practice but requires extensive domain knowledge. Recently, Large Language Model (LLM)-based automatic heuristics design (AHD) methods have shown promise in generating high-quality heuristics without manual intervention. Existing LLM-based AHD methods employ a population to maintain a fixed number of top-performing LLM-generated heuristics and introduce evolutionary computation (EC) to enhance the population iteratively. However, the population-based procedure brings greedy properties, often resulting in convergence to local optima. Instead, to more comprehensively explore the space of heuristics, we propose using Monte Carlo Tree Search (MCTS) for LLM-based heuristic evolution while preserving all LLM-generated heuristics in a tree structure. With a novel thought-alignment process and an exploration-decay technique, the proposed MCTS-AHD method delivers significantly higher-quality heuristics on various complex tasks. Our code is available at https://github.com/zz1358m/MCTS-AHD-master.

For humans to trust the fluent generations of large language models (LLMs), they must be able to verify their correctness against trusted, external sources. Recent efforts aim to increase verifiability through citations of retrieved documents or post-hoc provenance. However, such citations are prone to mistakes that further complicate their verifiability. To address these limitations, we tackle the verifiability goal with a different philosophy: we trivialize the verification process by developing models that quote verbatim statements from trusted sources in pre-training data. We propose Quote-Tuning, which demonstrates the feasibility of aligning LLMs to leverage memorized information and quote from pre-training data. Quote-Tuning quantifies quoting against large corpora with efficient membership inference tools, and uses the amount of quotes as an implicit reward signal to construct a synthetic preference dataset for quoting, without any human annotation. Next, the target model is aligned to quote using preference optimization algorithms. Experimental results show that Quote-Tuning significantly increases the percentage of LLM generation quoted verbatim from high-quality pre-training documents by 55% to 130% relative to untuned models while maintaining response quality. Further experiments demonstrate that Quote-Tuning generalizes quoting to out-of-domain data, is applicable in different tasks, and provides additional benefits to truthfulness. Quote-Tuning not only serves as a hassle-free method to increase quoting but also opens up avenues for improving LLM trustworthiness through better verifiability.

Time series forecasting is an important and forefront task in many real-world applications. However, most of time series forecasting techniques assume that the training data is clean without anomalies. This assumption is unrealistic since the collected time series data can be contaminated in practice. The forecasting model will be inferior if it is directly trained by time series with anomalies. Thus it is essential to develop methods to automatically learn a robust forecasting model from the contaminated data. In this paper, we first statistically define three types of anomalies, then theoretically and experimentally analyze the loss robustness and sample robustness when these anomalies exist. Based on our analyses, we propose a simple and efficient algorithm to learn a robust forecasting model. Extensive experiments show that our method is highly robust and outperforms all existing approaches. The code is available at https://github.com/haochenglouis/RobustTSF.

We study the problem of optimizing biological sequences, e.g., proteins, DNA, and RNA, to maximize a black-box score function that is only evaluated in an offline dataset. We propose a novel solution, bootstrapped training of score-conditioned generator (BootGen) algorithm. Our algorithm repeats a two-stage process. In the first stage, our algorithm trains the biological sequence generator with rank-based weights to enhance the accuracy of sequence generation based on high scores. The subsequent stage involves bootstrapping, which augments the training dataset with self-generated data labeled by a proxy score function. Our key idea is to align the score-based generation with a proxy score function, which distills the knowledge of the proxy score function to the generator. After training, we aggregate samples from multiple bootstrapped generators and proxies to produce a diverse design. Extensive experiments show that our method outperforms competitive baselines on biological sequential design tasks. We provide reproducible source code: https://github.com/kaist-silab/bootgen{https://github.com/kaist-silab/bootgen}.

We introduce a gradient-based approach for the problem of Bayesian optimal experimental design to learn causal models in a batch setting -- a critical component for causal discovery from finite data where interventions can be costly or risky. Existing methods rely on greedy approximations to construct a batch of experiments while using black-box methods to optimize over a single target-state pair to intervene with. In this work, we completely dispose of the black-box optimization techniques and greedy heuristics and instead propose a conceptually simple end-to-end gradient-based optimization procedure to acquire a set of optimal intervention target-state pairs. Such a procedure enables parameterization of the design space to efficiently optimize over a batch of multi-target-state interventions, a setting which has hitherto not been explored due to its complexity. We demonstrate that our proposed method outperforms baselines and existing acquisition strategies in both single-target and multi-target settings across a number of synthetic datasets.

Image-based fashion design with AI techniques has attracted increasing attention in recent years. We focus on a new fashion design task, where we aim to transfer a reference appearance image onto a clothing image while preserving the structure of the clothing image. It is a challenging task since there are no reference images available for the newly designed output fashion images. Although diffusion-based image translation or neural style transfer (NST) has enabled flexible style transfer, it is often difficult to maintain the original structure of the image realistically during the reverse diffusion, especially when the referenced appearance image greatly differs from the common clothing appearance. To tackle this issue, we present a novel diffusion model-based unsupervised structure-aware transfer method to semantically generate new clothes from a given clothing image and a reference appearance image. In specific, we decouple the foreground clothing with automatically generated semantic masks by conditioned labels. And the mask is further used as guidance in the denoising process to preserve the structure information. Moreover, we use the pre-trained vision Transformer (ViT) for both appearance and structure guidance. Our experimental results show that the proposed method outperforms state-of-the-art baseline models, generating more realistic images in the fashion design task. Code and demo can be found at https://github.com/Rem105-210/DiffFashion.

Offline model-based optimization aims to maximize a black-box objective function with a static dataset of designs and their scores. In this paper, we focus on biological sequence design to maximize some sequence score. A recent approach employs bidirectional learning, combining a forward mapping for exploitation and a backward mapping for constraint, and it relies on the neural tangent kernel (NTK) of an infinitely wide network to build a proxy model. Though effective, the NTK cannot learn features because of its parametrization, and its use prevents the incorporation of powerful pre-trained Language Models (LMs) that can capture the rich biophysical information in millions of biological sequences. We adopt an alternative proxy model, adding a linear head to a pre-trained LM, and propose a linearization scheme. This yields a closed-form loss and also takes into account the biophysical information in the pre-trained LM. In addition, the forward mapping and the backward mapping play different roles and thus deserve different weights during sequence optimization. To achieve this, we train an auxiliary model and leverage its weak supervision signal via a bi-level optimization framework to effectively learn how to balance the two mappings. Further, by extending the framework, we develop the first learning rate adaptation module Adaptive-eta, which is compatible with all gradient-based algorithms for offline model-based optimization. Experimental results on DNA/protein sequence design tasks verify the effectiveness of our algorithm. Our code is available~https://anonymous.4open.science/r/BIB-ICLR2023-Submission/README.md{here.}

In e-commerce and digital marketing, generating high-fidelity human-product demonstration videos is important for effective product presentation. However, most existing frameworks either fail to preserve the identities of both humans and products or lack an understanding of human-product spatial relationships, leading to unrealistic representations and unnatural interactions. To address these challenges, we propose a Diffusion Transformer (DiT)-based framework. Our method simultaneously preserves human identities and product-specific details, such as logos and textures, by injecting paired human-product reference information and utilizing an additional masked cross-attention mechanism. We employ a 3D body mesh template and product bounding boxes to provide precise motion guidance, enabling intuitive alignment of hand gestures with product placements. Additionally, structured text encoding is used to incorporate category-level semantics, enhancing 3D consistency during small rotational changes across frames. Trained on a hybrid dataset with extensive data augmentation strategies, our approach outperforms state-of-the-art techniques in maintaining the identity integrity of both humans and products and generating realistic demonstration motions. Project page: https://submit2025-dream.github.io/DreamActor-H1/.

Anomaly detection in videos is a significant yet challenging problem. Previous approaches based on deep neural networks employ either reconstruction-based or prediction-based approaches. Nevertheless, existing reconstruction-based methods 1) rely on old-fashioned convolutional autoencoders and are poor at modeling temporal dependency; 2) are prone to overfit the training samples, leading to indistinguishable reconstruction errors of normal and abnormal frames during the inference phase. To address such issues, firstly, we get inspiration from transformer and propose {textbf S}patio-{textbf T}emporal {textbf A}uto-{textbf T}rans-{textbf E}ncoder, dubbed as STATE, as a new autoencoder model for enhanced consecutive frame reconstruction. Our STATE is equipped with a specifically designed learnable convolutional attention module for efficient temporal learning and reasoning. Secondly, we put forward a novel reconstruction-based input perturbation technique during testing to further differentiate anomalous frames. With the same perturbation magnitude, the testing reconstruction error of the normal frames lowers more than that of the abnormal frames, which contributes to mitigating the overfitting problem of reconstruction. Owing to the high relevance of the frame abnormality and the objects in the frame, we conduct object-level reconstruction using both the raw frame and the corresponding optical flow patches. Finally, the anomaly score is designed based on the combination of the raw and motion reconstruction errors using perturbed inputs. Extensive experiments on benchmark video anomaly detection datasets demonstrate that our approach outperforms previous reconstruction-based methods by a notable margin, and achieves state-of-the-art anomaly detection performance consistently. The code is available at https://github.com/wyzjack/MRMGA4VAD.

The ever-increasing size of large language models (LLMs) presents significant challenges for deployment due to their heavy computational and memory requirements. Current model pruning techniques attempt to alleviate these issues by relying heavily on external calibration datasets to determine which parameters to prune or compress, thus limiting their flexibility and scalability across different compression ratios. Moreover, these methods often cause severe performance degradation, particularly in downstream tasks, when subjected to higher compression rates. In this paper, we propose PruneNet, a novel model compression method that addresses these limitations by reformulating model pruning as a policy learning process. PruneNet decouples the pruning process from the model architecture, eliminating the need for calibration datasets. It learns a stochastic pruning policy to assess parameter importance solely based on intrinsic model properties while preserving the spectral structure to minimize information loss. PruneNet can compress the LLaMA-2-7B model in just 15 minutes, achieving over 80% retention of its zero-shot performance with a 30% compression ratio, outperforming existing methods that retain only 75% performance. Furthermore, on complex multitask language understanding tasks, PruneNet demonstrates its robustness by preserving up to 80% performance of the original model, proving itself a superior alternative to conventional structured compression techniques.

We introduce "Method Actors" as a mental model for guiding LLM prompt engineering and prompt architecture. Under this mental model, LLMs should be thought of as actors; prompts as scripts and cues; and LLM responses as performances. We apply this mental model to the task of improving LLM performance at playing Connections, a New York Times word puzzle game that prior research identified as a challenging benchmark for evaluating LLM reasoning. Our experiments with GPT-4o show that a "Method Actors" approach can significantly improve LLM performance over both a vanilla and "Chain of Thoughts" approach. A vanilla approach solves 27% of Connections puzzles in our dataset and a "Chain of Thoughts" approach solves 41% of puzzles, whereas our strongest "Method Actor" approach solves 86% of puzzles. We also test OpenAI's newest model designed specifically for complex reasoning tasks, o1-preview. When asked to solve a puzzle all at once, o1-preview solves 79% of Connections puzzles in our dataset, and when allowed to build puzzle solutions one guess at a time over multiple API calls, o1-preview solves 100% of the puzzles. Incorporating a "Method Actor" prompt architecture increases the percentage of puzzles that o1-preview solves perfectly from 76% to 87%.

Alignment is crucial for training large language models. The predominant strategy is Reinforcement Learning from Human Feedback (RLHF), with Proximal Policy Optimization (PPO) as the de-facto algorithm. Yet, PPO is known to struggle with computational inefficiency, a challenge that this paper aims to address. We identify three important properties of RLHF tasks: fast simulation, deterministic transitions, and trajectory-level rewards, which are not leveraged in PPO. Based on these properties, we develop ReMax, a new algorithm tailored for RLHF. The design of ReMax builds on the celebrated algorithm REINFORCE but is enhanced with a new variance-reduction technique. ReMax offers threefold advantages over PPO: first, it is simple to implement with just 6 lines of code. It further eliminates more than 4 hyper-parameters in PPO, which are laborious to tune. Second, ReMax reduces memory usage by about 50%. To illustrate, PPO runs out of memory when fine-tuning a Llama2-7B model on A100-80GB GPUs, whereas ReMax can support the training. Even though memory-efficient techniques (e.g., ZeRO and offload) are employed for PPO to afford training, ReMax can utilize a larger batch size to increase throughput. Third, in terms of wall-clock time, PPO is about twice as slow as ReMax per iteration. Importantly, these improvements do not sacrifice task performance. We hypothesize that these advantages can be maintained in larger-scale models.

High-quality instruction-tuning data is critical to improving LLM capabilities. Existing data collection methods are limited by unrealistic manual labeling costs or by the hallucination of relying solely on LLM generation. To address the problems, this paper presents a scalable method to automatically collect high-quality instructional adaptation data by training language models to automatically design tasks based on human-written texts. Intuitively, human-written text helps to help the model attenuate illusions during the generation of tasks. Unlike instruction back-translation-based methods that directly take the given text as a response, we require the model to generate the instruction, input, and output simultaneously to filter the noise. The results of the automated and manual evaluation experiments demonstrate the quality of our dataset.

Line art colorization plays a crucial role in hand-drawn animation production, where digital artists manually colorize segments using a paint bucket tool, guided by RGB values from character color design sheets. This process, often called paint bucket colorization, involves two main tasks: keyframe colorization, where colors are applied according to the character's color design sheet, and consecutive frame colorization, where these colors are replicated across adjacent frames. Current automated colorization methods primarily focus on reference-based and segment-matching approaches. However, reference-based methods often fail to accurately assign specific colors to each region, while matching-based methods are limited to consecutive frame colorization and struggle with issues like significant deformation and occlusion. In this work, we introduce inclusion matching, which allows the network to understand the inclusion relationships between segments, rather than relying solely on direct visual correspondences. By integrating this approach with segment parsing and color warping modules, our inclusion matching pipeline significantly improves performance in both keyframe colorization and consecutive frame colorization. To support our network's training, we have developed a unique dataset named PaintBucket-Character, which includes rendered line arts alongside their colorized versions and shading annotations for various 3D characters. To replicate industry animation data formats, we also created color design sheets for each character, with semantic information for each color and standard pose reference images. Experiments highlight the superiority of our method, demonstrating accurate and consistent colorization across both our proposed benchmarks and hand-drawn animations.

In volume rendering, transfer functions are used to classify structures of interest, and to assign optical properties such as color and opacity. They are commonly defined as 1D or 2D functions that map simple features to these optical properties. As the process of designing a transfer function is typically tedious and unintuitive, several approaches have been proposed for their interactive specification. In this paper, we present a novel method to define transfer functions for volume rendering by leveraging the feature extraction capabilities of self-supervised pre-trained vision transformers. To design a transfer function, users simply select the structures of interest in a slice viewer, and our method automatically selects similar structures based on the high-level features extracted by the neural network. Contrary to previous learning-based transfer function approaches, our method does not require training of models and allows for quick inference, enabling an interactive exploration of the volume data. Our approach reduces the amount of necessary annotations by interactively informing the user about the current classification, so they can focus on annotating the structures of interest that still require annotation. In practice, this allows users to design transfer functions within seconds, instead of minutes. We compare our method to existing learning-based approaches in terms of annotation and compute time, as well as with respect to segmentation accuracy. Our accompanying video showcases the interactivity and effectiveness of our method.

This work puts forth a new optimal design formulation for planar elastic membranes. The goal is to minimize the membrane's compliance through choosing the material distribution described by a positive Radon measure. The deformation of the membrane itself is governed by the convexified F\"{o}ppl's model. The uniqueness of this model lies in the convexity of its variational formulation despite the inherent nonlinearity of the strain-displacement relation. It makes it possible to rewrite the optimization problem as a pair of mutually dual convex variational problems. In the primal problem a linear functional is maximized with respect to displacement functions while enforcing that point-wisely the strain lies in an unbounded closed convex set. The dual problem consists in finding equilibrated stresses that are to minimize a convex integral functional of linear growth defined on the space of Radon measures. The pair of problems is analysed: existence and regularity results are provided, together with the system of optimality criteria. To demonstrate the computational potential of the pair, a finite element scheme is developed around it. Upon reformulation to a conic-quadratic & semi-definite programming problem, the method is employed to produce numerical simulations for several load case scenarios.

Recent technological advances, especially in the field of machine learning, provide astonishing progress on the road towards artificial general intelligence. However, tasks in current real-world business applications cannot yet be solved by machines alone. We, therefore, identify the need for developing socio-technological ensembles of humans and machines. Such systems possess the ability to accomplish complex goals by combining human and artificial intelligence to collectively achieve superior results and continuously improve by learning from each other. Thus, the need for structured design knowledge for those systems arises. Following a taxonomy development method, this article provides three main contributions: First, we present a structured overview of interdisciplinary research on the role of humans in the machine learning pipeline. Second, we envision hybrid intelligence systems and conceptualize the relevant dimensions for system design for the first time. Finally, we offer useful guidance for system developers during the implementation of such applications.

Dictionary learning is a widely used unsupervised learning method in signal processing and machine learning. Most existing works of dictionary learning are in an offline manner. There are mainly two offline ways for dictionary learning. One is to do an alternative optimization of both the dictionary and the sparse code; the other way is to optimize the dictionary by restricting it over the orthogonal group. The latter one is called orthogonal dictionary learning which has a lower complexity implementation, hence, it is more favorable for lowcost devices. However, existing schemes on orthogonal dictionary learning only work with batch data and can not be implemented online, which is not applicable for real-time applications. This paper proposes a novel online orthogonal dictionary scheme to dynamically learn the dictionary from streaming data without storing the historical data. The proposed scheme includes a novel problem formulation and an efficient online algorithm design with convergence analysis. In the problem formulation, we relax the orthogonal constraint to enable an efficient online algorithm. In the algorithm design, we propose a new Frank-Wolfe-based online algorithm with a convergence rate of O(ln t/t^(1/4)). The convergence rate in terms of key system parameters is also derived. Experiments with synthetic data and real-world sensor readings demonstrate the effectiveness and efficiency of the proposed online orthogonal dictionary learning scheme.

We propose a new defense mechanism against adversarial attacks inspired by an optical co-processor, providing robustness without compromising natural accuracy in both white-box and black-box settings. This hardware co-processor performs a nonlinear fixed random transformation, where the parameters are unknown and impossible to retrieve with sufficient precision for large enough dimensions. In the white-box setting, our defense works by obfuscating the parameters of the random projection. Unlike other defenses relying on obfuscated gradients, we find we are unable to build a reliable backward differentiable approximation for obfuscated parameters. Moreover, while our model reaches a good natural accuracy with a hybrid backpropagation - synthetic gradient method, the same approach is suboptimal if employed to generate adversarial examples. We find the combination of a random projection and binarization in the optical system also improves robustness against various types of black-box attacks. Finally, our hybrid training method builds robust features against transfer attacks. We demonstrate our approach on a VGG-like architecture, placing the defense on top of the convolutional features, on CIFAR-10 and CIFAR-100. Code is available at https://github.com/lightonai/adversarial-robustness-by-design.

Scalable and cost-effective solutions to renewable energy storage are essential to addressing the world's rising energy needs while reducing climate change. As we increase our reliance on renewable energy sources such as wind and solar, which produce intermittent power, storage is needed to transfer power from times of peak generation to peak demand. This may require the storage of power for hours, days, or months. One solution that offers the potential of scaling to nation-sized grids is the conversion of renewable energy to other fuels, such as hydrogen or methane. To be widely adopted, this process requires cost-effective solutions to running electrochemical reactions. An open challenge is finding low-cost electrocatalysts to drive these reactions at high rates. Through the use of quantum mechanical simulations (density functional theory), new catalyst structures can be tested and evaluated. Unfortunately, the high computational cost of these simulations limits the number of structures that may be tested. The use of machine learning may provide a method to efficiently approximate these calculations, leading to new approaches in finding effective electrocatalysts. In this paper, we provide an introduction to the challenges in finding suitable electrocatalysts, how machine learning may be applied to the problem, and the use of the Open Catalyst Project OC20 dataset for model training.

Many mission-critical systems are based on GPU for inference. It requires not only high recognition accuracy but also low latency in responding time. Although many studies are devoted to optimizing the structure of deep models for efficient inference, most of them do not leverage the architecture of modern GPU for fast inference, leading to suboptimal performance. To address this issue, we propose a general principle for designing GPU-efficient networks based on extensive empirical studies. This design principle enables us to search for GPU-efficient network structures effectively by a simple and lightweight method as opposed to most Neural Architecture Search (NAS) methods that are complicated and computationally expensive. Based on the proposed framework, we design a family of GPU-Efficient Networks, or GENets in short. We did extensive evaluations on multiple GPU platforms and inference engines. While achieving geq 81.3% top-1 accuracy on ImageNet, GENet is up to 6.4 times faster than EfficienNet on GPU. It also outperforms most state-of-the-art models that are more efficient than EfficientNet in high precision regimes. Our source code and pre-trained models are available from https://github.com/idstcv/GPU-Efficient-Networks.

This paper presents EasyAnimate, an advanced method for video generation that leverages the power of transformer architecture for high-performance outcomes. We have expanded the DiT framework originally designed for 2D image synthesis to accommodate the complexities of 3D video generation by incorporating a motion module block. It is used to capture temporal dynamics, thereby ensuring the production of consistent frames and seamless motion transitions. The motion module can be adapted to various DiT baseline methods to generate video with different styles. It can also generate videos with different frame rates and resolutions during both training and inference phases, suitable for both images and videos. Moreover, we introduce slice VAE, a novel approach to condense the temporal axis, facilitating the generation of long duration videos. Currently, EasyAnimate exhibits the proficiency to generate videos with 144 frames. We provide a holistic ecosystem for video production based on DiT, encompassing aspects such as data pre-processing, VAE training, DiT models training (both the baseline model and LoRA model), and end-to-end video inference. Code is available at: https://github.com/aigc-apps/EasyAnimate. We are continuously working to enhance the performance of our method.

Parenting brings emotional and physical challenges, from balancing work, childcare, and finances to coping with exhaustion and limited personal time. Yet, one in three parents never seek support. AI systems potentially offer stigma-free, accessible, and affordable solutions. Yet, user adoption often fails due to issues with explainability and reliability. To see if these issues could be solved using a co-design approach, we developed and tested NurtureBot, a wellbeing support assistant for new parents. 32 parents co-designed the system through Asynchronous Remote Communities method, identifying the key challenge as achieving a "successful chat". Aspart of co-design, parents role-played as NurturBot, rewriting its dialogues to improve user understanding, control, and outcomes. The refined prototype evaluated by 32 initial and 46 new parents, showed improved user experience and usability, with final CUQ score of 91.3/100, demonstrating successful interaction patterns. Our process revealed useful interaction design lessons for effective AI parenting support.

Dataset distillation offers a potential means to enhance data efficiency in deep learning. Recent studies have shown its ability to counteract backdoor risks present in original training samples. In this study, we delve into the theoretical aspects of backdoor attacks and dataset distillation based on kernel methods. We introduce two new theory-driven trigger pattern generation methods specialized for dataset distillation. Following a comprehensive set of analyses and experiments, we show that our optimization-based trigger design framework informs effective backdoor attacks on dataset distillation. Notably, datasets poisoned by our designed trigger prove resilient against conventional backdoor attack detection and mitigation methods. Our empirical results validate that the triggers developed using our approaches are proficient at executing resilient backdoor attacks.

This paper presents IMAGGarment-1, a fine-grained garment generation (FGG) framework that enables high-fidelity garment synthesis with precise control over silhouette, color, and logo placement. Unlike existing methods that are limited to single-condition inputs, IMAGGarment-1 addresses the challenges of multi-conditional controllability in personalized fashion design and digital apparel applications. Specifically, IMAGGarment-1 employs a two-stage training strategy to separately model global appearance and local details, while enabling unified and controllable generation through end-to-end inference. In the first stage, we propose a global appearance model that jointly encodes silhouette and color using a mixed attention module and a color adapter. In the second stage, we present a local enhancement model with an adaptive appearance-aware module to inject user-defined logos and spatial constraints, enabling accurate placement and visual consistency. To support this task, we release GarmentBench, a large-scale dataset comprising over 180K garment samples paired with multi-level design conditions, including sketches, color references, logo placements, and textual prompts. Extensive experiments demonstrate that our method outperforms existing baselines, achieving superior structural stability, color fidelity, and local controllability performance. The code and model are available at https://github.com/muzishen/IMAGGarment-1.

Despite rapid progress in large language models (LLMs), their performance on a vast majority of languages remain unsatisfactory. In this paper, we study building language-specific LLMs by adapting monolingual and multilingual LLMs. We conduct systematic experiments on how design choices (base model selection, vocabulary extension, and continued fine-tuning) impact the adapted LLM, both in terms of efficiency (how many tokens are needed to encode the same amount of information) and end task performance. We find that (1) the initial performance before the adaptation is not always indicative of the final performance. (2) Efficiency can easily improved with simple vocabulary extension and continued fine-tuning in most LLMs we study, and (3) The optimal adaptation method is highly language-dependent, and the simplest approach works well across various experimental settings. Adapting English-centric models can yield better results than adapting multilingual models despite their worse initial performance on low-resource languages. Together, our work lays foundations on efficiently building language-specific LLMs by adapting existing LLMs.

In this study, a chair-type asymmetric tripedal low-rigidity robot was designed based on the three-legged chair character in the movie "Suzume" and its gait was generated. Its body structure consists of three legs that are asymmetric to the body, so it cannot be easily balanced. In addition, the actuator is a servo motor that can only feed-forward rotational angle commands and the sensor can only sense the robot's posture quaternion. In such an asymmetric and imperfect body structure, we analyzed how gait is generated in walking and stand-up motions by generating gaits with two different methods: a method using linear completion to connect the postures necessary for the gait discovered through trial and error using the actual robot, and a method using the gait generated by reinforcement learning in the simulator and reflecting it to the actual robot. Both methods were able to generate gait that realized walking and stand-up motions, and interesting gait patterns were observed, which differed depending on the method, and were confirmed on the actual robot. Our code and demonstration videos are available here: https://github.com/shin0805/Chair-TypeAsymmetricalTripedalRobot.git

This paper presents a configurable Convolutional Neural Network Accelerator (CNNA) for a System on Chip design (SoC). The goal was to accelerate inference of different deep learning networks on an embedded SoC platform. The presented CNNA has a scalable architecture which uses High Level Synthesis (HLS) and SystemC for the hardware accelerator. It is able to accelerate any Convolutional Neural Network (CNN) exported from Python and supports a combination of convolutional, max-pooling, and fully connected layers. A training method with fixed-point quantized weights is proposed and presented in the paper. The CNNA is template-based, enabling it to scale for different targets of the Xilinx Zynq platform. This approach enables design space exploration, which makes it possible to explore several configurations of the CNNA during C- and RTL-simulation, fitting it to the desired platform and model. The CNN VGG16 was used to test the solution on a Xilinx Ultra96 board using PYNQ. The result gave a high level of accuracy in training with an auto-scaled fixed-point Q2.14 format compared to a similar floating-point model. It was able to perform inference in 2.0 seconds, while having an average power consumption of 2.63 W, which corresponds to a power efficiency of 6.0 GOPS/W.

Materials discovery and design are essential for advancing technology across various industries by enabling the development of application-specific materials. Recent research has leveraged Large Language Models (LLMs) to accelerate this process. We explore the potential of LLMs to generate viable hypotheses that, once validated, can expedite materials discovery. Collaborating with materials science experts, we curated a novel dataset from recent journal publications, featuring real-world goals, constraints, and methods for designing real-world applications. Using this dataset, we test LLM-based agents that generate hypotheses for achieving given goals under specific constraints. To assess the relevance and quality of these hypotheses, we propose a novel scalable evaluation metric that emulates the process a materials scientist would use to evaluate a hypothesis critically. Our curated dataset, proposed method, and evaluation framework aim to advance future research in accelerating materials discovery and design with LLMs.

Large Language Models (LLMs) have shown significant potential in designing reward functions for Reinforcement Learning (RL) tasks. However, obtaining high-quality reward code often involves human intervention, numerous LLM queries, or repetitive RL training. To address these issues, we propose CARD, a LLM-driven Reward Design framework that iteratively generates and improves reward function code. Specifically, CARD includes a Coder that generates and verifies the code, while a Evaluator provides dynamic feedback to guide the Coder in improving the code, eliminating the need for human feedback. In addition to process feedback and trajectory feedback, we introduce Trajectory Preference Evaluation (TPE), which evaluates the current reward function based on trajectory preferences. If the code fails the TPE, the Evaluator provides preference feedback, avoiding RL training at every iteration and making the reward function better aligned with the task objective. Empirical results on Meta-World and ManiSkill2 demonstrate that our method achieves an effective balance between task performance and token efficiency, outperforming or matching the baselines across all tasks. On 10 out of 12 tasks, CARD shows better or comparable performance to policies trained with expert-designed rewards, and our method even surpasses the oracle on 3 tasks.

Agents, as user-centric tools, are increasingly deployed for human task delegation, assisting with a broad spectrum of requests by generating thoughts, engaging with user proxies, and producing action plans. However, agents based on large language models (LLMs) often face substantial planning latency due to two primary factors: the efficiency limitations of the underlying LLMs due to their large size and high demand, and the structural complexity of the agents due to the extensive generation of intermediate thoughts to produce the final output. Given that inefficiency in service provision can undermine the value of automation for users, this paper presents a human-centered efficient agent planning method -- Interactive Speculative Planning -- aiming at enhancing the efficiency of agent planning through both system design and human-AI interaction. Our approach advocates for the co-design of the agent system and user interface, underscoring the importance of an agent system that can fluidly manage user interactions and interruptions. By integrating human interruptions as a fundamental component of the system, we not only make it more user-centric but also expedite the entire process by leveraging human-in-the-loop interactions to provide accurate intermediate steps. Code and data will be released.

Scene flow estimation predicts the 3D motion at each point in successive LiDAR scans. This detailed, point-level, information can help autonomous vehicles to accurately predict and understand dynamic changes in their surroundings. Current state-of-the-art methods require annotated data to train scene flow networks and the expense of labeling inherently limits their scalability. Self-supervised approaches can overcome the above limitations, yet face two principal challenges that hinder optimal performance: point distribution imbalance and disregard for object-level motion constraints. In this paper, we propose SeFlow, a self-supervised method that integrates efficient dynamic classification into a learning-based scene flow pipeline. We demonstrate that classifying static and dynamic points helps design targeted objective functions for different motion patterns. We also emphasize the importance of internal cluster consistency and correct object point association to refine the scene flow estimation, in particular on object details. Our real-time capable method achieves state-of-the-art performance on the self-supervised scene flow task on Argoverse 2 and Waymo datasets. The code is open-sourced at https://github.com/KTH-RPL/SeFlow along with trained model weights.

Clinical trials are fundamental in developing new drugs, medical devices, and treatments. However, they are often time-consuming and have low success rates. Although there have been initial attempts to create large language models (LLMs) for clinical trial design and patient-trial matching, these models remain task-specific and not adaptable to diverse clinical trial tasks. To address this challenge, we propose a clinical trial foundation model named Panacea, designed to handle multiple tasks, including trial search, trial summarization, trial design, and patient-trial matching. We also assemble a large-scale dataset, named TrialAlign, of 793,279 trial documents and 1,113,207 trial-related scientific papers, to infuse clinical knowledge into the model by pre-training. We further curate TrialInstruct, which has 200,866 of instruction data for fine-tuning. These resources enable Panacea to be widely applicable for a range of clinical trial tasks based on user requirements. We evaluated Panacea on a new benchmark, named TrialPanorama, which covers eight clinical trial tasks. Our method performed the best on seven of the eight tasks compared to six cutting-edge generic or medicine-specific LLMs. Specifically, Panacea showed great potential to collaborate with human experts in crafting the design of eligibility criteria, study arms, and outcome measures, in multi-round conversations. In addition, Panacea achieved 14.42% improvement in patient-trial matching, 41.78% to 52.02% improvement in trial search, and consistently ranked at the top for five aspects of trial summarization. Our approach demonstrates the effectiveness of Panacea in clinical trials and establishes a comprehensive resource, including training data, model, and benchmark, for developing clinical trial foundation models, paving the path for AI-based clinical trial development.

Indirect experiments provide a valuable framework for estimating treatment effects in situations where conducting randomized control trials (RCTs) is impractical or unethical. Unlike RCTs, indirect experiments estimate treatment effects by leveraging (conditional) instrumental variables, enabling estimation through encouragement and recommendation rather than strict treatment assignment. However, the sample efficiency of such estimators depends not only on the inherent variability in outcomes but also on the varying compliance levels of users with the instrumental variables and the choice of estimator being used, especially when dealing with numerous instrumental variables. While adaptive experiment design has a rich literature for direct experiments, in this paper we take the initial steps towards enhancing sample efficiency for indirect experiments by adaptively designing a data collection policy over instrumental variables. Our main contribution is a practical computational procedure that utilizes influence functions to search for an optimal data collection policy, minimizing the mean-squared error of the desired (non-linear) estimator. Through experiments conducted in various domains inspired by real-world applications, we showcase how our method can significantly improve the sample efficiency of indirect experiments.

Imaging systems consist of cameras to encode visual information about the world and perception models to interpret this encoding. Cameras contain (1) illumination sources, (2) optical elements, and (3) sensors, while perception models use (4) algorithms. Directly searching over all combinations of these four building blocks to design an imaging system is challenging due to the size of the search space. Moreover, cameras and perception models are often designed independently, leading to sub-optimal task performance. In this paper, we formulate these four building blocks of imaging systems as a context-free grammar (CFG), which can be automatically searched over with a learned camera designer to jointly optimize the imaging system with task-specific perception models. By transforming the CFG to a state-action space, we then show how the camera designer can be implemented with reinforcement learning to intelligently search over the combinatorial space of possible imaging system configurations. We demonstrate our approach on two tasks, depth estimation and camera rig design for autonomous vehicles, showing that our method yields rigs that outperform industry-wide standards. We believe that our proposed approach is an important step towards automating imaging system design.

Federated Learning (FL) has recently emerged as a promising distributed machine learning framework to preserve clients' privacy, by allowing multiple clients to upload the gradients calculated from their local data to a central server. Recent studies find that the exchanged gradients also take the risk of privacy leakage, e.g., an attacker can invert the shared gradients and recover sensitive data against an FL system by leveraging pre-trained generative adversarial networks (GAN) as prior knowledge. However, performing gradient inversion attacks in the latent space of the GAN model limits their expression ability and generalizability. To tackle these challenges, we propose Gradient Inversion over Feature Domains (GIFD), which disassembles the GAN model and searches the feature domains of the intermediate layers. Instead of optimizing only over the initial latent code, we progressively change the optimized layer, from the initial latent space to intermediate layers closer to the output images. In addition, we design a regularizer to avoid unreal image generation by adding a small {l_1} ball constraint to the searching range. We also extend GIFD to the out-of-distribution (OOD) setting, which weakens the assumption that the training sets of GANs and FL tasks obey the same data distribution. Extensive experiments demonstrate that our method can achieve pixel-level reconstruction and is superior to the existing methods. Notably, GIFD also shows great generalizability under different defense strategy settings and batch sizes.

We introduce LegoGPT, the first approach for generating physically stable LEGO brick models from text prompts. To achieve this, we construct a large-scale, physically stable dataset of LEGO designs, along with their associated captions, and train an autoregressive large language model to predict the next brick to add via next-token prediction. To improve the stability of the resulting designs, we employ an efficient validity check and physics-aware rollback during autoregressive inference, which prunes infeasible token predictions using physics laws and assembly constraints. Our experiments show that LegoGPT produces stable, diverse, and aesthetically pleasing LEGO designs that align closely with the input text prompts. We also develop a text-based LEGO texturing method to generate colored and textured designs. We show that our designs can be assembled manually by humans and automatically by robotic arms. We also release our new dataset, StableText2Lego, containing over 47,000 LEGO structures of over 28,000 unique 3D objects accompanied by detailed captions, along with our code and models at the project website: https://avalovelace1.github.io/LegoGPT/.

Change detection in remote sensing imagery is a critical technique for Earth observation, primarily focusing on pixel-level segmentation of change regions between bi-temporal images. The essence of pixel-level change detection lies in determining whether corresponding pixels in bi-temporal images have changed. In deep learning, the spatial and channel dimensions of feature maps represent different information from the original images. In this study, we found that in change detection tasks, difference information can be computed not only from the spatial dimension of bi-temporal features but also from the channel dimension. Therefore, we designed the Channel-Spatial Difference Weighting (CSDW) module as an aggregation-distribution mechanism for bi-temporal features in change detection. This module enhances the sensitivity of the change detection model to difference features. Additionally, bi-temporal images share the same geographic location and exhibit strong inter-image correlations. To construct the correlation between bi-temporal images, we designed a decoding structure based on the Layer-Exchange (LE) method to enhance the interaction of bi-temporal features. Comprehensive experiments on the CLCD, PX-CLCD, LEVIR-CD, and S2Looking datasets demonstrate that the proposed LENet model significantly improves change detection performance. The code and pre-trained models will be available at: https://github.com/dyzy41/lenet.

The growing use of voice user interfaces has led to a surge in the collection and storage of speech data. While data collection allows for the development of efficient tools powering most speech services, it also poses serious privacy issues for users as centralized storage makes private personal speech data vulnerable to cyber threats. With the increasing use of voice-based digital assistants like Amazon's Alexa, Google's Home, and Apple's Siri, and with the increasing ease with which personal speech data can be collected, the risk of malicious use of voice-cloning and speaker/gender/pathological/etc. recognition has increased. This thesis proposes solutions for anonymizing speech and evaluating the degree of the anonymization. In this work, anonymization refers to making personal speech data unlinkable to an identity while maintaining the usefulness (utility) of the speech signal (e.g., access to linguistic content). We start by identifying several challenges that evaluation protocols need to consider to evaluate the degree of privacy protection properly. We clarify how anonymization systems must be configured for evaluation purposes and highlight that many practical deployment configurations do not permit privacy evaluation. Furthermore, we study and examine the most common voice conversion-based anonymization system and identify its weak points before suggesting new methods to overcome some limitations. We isolate all components of the anonymization system to evaluate the degree of speaker PPI associated with each of them. Then, we propose several transformation methods for each component to reduce as much as possible speaker PPI while maintaining utility. We promote anonymization algorithms based on quantization-based transformation as an alternative to the most-used and well-known noise-based approach. Finally, we endeavor a new attack method to invert anonymization.

Converting webpage designs into code (design-to-code) plays a vital role in User Interface (UI) development for front-end developers, bridging the gap between visual design and functional implementation. While recent Multimodal Large Language Models (MLLMs) have shown significant potential in design-to-code tasks, they often fail to accurately preserve the layout during code generation. To this end, we draw inspiration from the Chain-of-Thought (CoT) reasoning in human cognition and propose LaTCoder, a novel approach that enhances layout preservation in webpage design during code generation with Layout-as-Thought (LaT). Specifically, we first introduce a simple yet efficient algorithm to divide the webpage design into image blocks. Next, we prompt MLLMs using a CoTbased approach to generate code for each block. Finally, we apply two assembly strategies-absolute positioning and an MLLM-based method-followed by dynamic selection to determine the optimal output. We evaluate the effectiveness of LaTCoder using multiple backbone MLLMs (i.e., DeepSeek-VL2, Gemini, and GPT-4o) on both a public benchmark and a newly introduced, more challenging benchmark (CC-HARD) that features complex layouts. The experimental results on automatic metrics demonstrate significant improvements. Specifically, TreeBLEU scores increased by 66.67% and MAE decreased by 38% when using DeepSeek-VL2, compared to direct prompting. Moreover, the human preference evaluation results indicate that annotators favor the webpages generated by LaTCoder in over 60% of cases, providing strong evidence of the effectiveness of our method.

Fragment-based drug discovery has been an effective paradigm in early-stage drug development. An open challenge in this area is designing linkers between disconnected molecular fragments of interest to obtain chemically-relevant candidate drug molecules. In this work, we propose DiffLinker, an E(3)-equivariant 3D-conditional diffusion model for molecular linker design. Given a set of disconnected fragments, our model places missing atoms in between and designs a molecule incorporating all the initial fragments. Unlike previous approaches that are only able to connect pairs of molecular fragments, our method can link an arbitrary number of fragments. Additionally, the model automatically determines the number of atoms in the linker and its attachment points to the input fragments. We demonstrate that DiffLinker outperforms other methods on the standard datasets generating more diverse and synthetically-accessible molecules. Besides, we experimentally test our method in real-world applications, showing that it can successfully generate valid linkers conditioned on target protein pockets.

Research in efficient vision backbones is evolving into models that are a mixture of convolutions and transformer blocks. A smart combination of both, architecture-wise and component-wise is mandatory to excel in the speedaccuracy trade-off. Most publications focus on maximizing accuracy and utilize MACs (multiply accumulate operations) as an efficiency metric. The latter however often do not measure accurately how fast a model actually is due to factors like memory access cost and degree of parallelism. We analyzed common modules and architectural design choices for backbones not in terms of MACs, but rather in actual throughput and latency, as the combination of the latter two is a better representation of the efficiency of models in real applications. We applied the conclusions taken from that analysis to create a recipe for increasing hardware-efficiency in macro design. Additionally we introduce a simple slimmed-down version of MultiHead Self-Attention, that aligns with our analysis. We combine both macro and micro design to create a new family of hardware-efficient backbone networks called LowFormer. LowFormer achieves a remarkable speedup in terms of throughput and latency, while achieving similar or better accuracy than current state-of-the-art efficient backbones. In order to prove the generalizability of our hardware-efficient design, we evaluate our method on GPU, mobile GPU and ARM CPU. We further show that the downstream tasks object detection and semantic segmentation profit from our hardware-efficient architecture. Code and models are available at https://github.com/ altair199797/LowFormer.

Sequential DeepFake detection is an emerging task that predicts the manipulation sequence in order. Existing methods typically formulate it as an image-to-sequence problem, employing conventional Transformer architectures. However, these methods lack dedicated design and consequently result in limited performance. As such, this paper describes a new Transformer design, called {TSOM}, by exploring three perspectives: Texture, Shape, and Order of Manipulations. Our method features four major improvements: 182 we describe a new texture-aware branch that effectively captures subtle manipulation traces with a Diversiform Pixel Difference Attention module. 183 Then we introduce a Multi-source Cross-attention module to seek deep correlations among spatial and sequential features, enabling effective modeling of complex manipulation traces. 184 To further enhance the cross-attention, we describe a Shape-guided Gaussian mapping strategy, providing initial priors of the manipulation shape. 185 Finally, observing that the subsequent manipulation in a sequence may influence traces left in the preceding one, we intriguingly invert the prediction order from forward to backward, leading to notable gains as expected. Building upon TSOM, we introduce an extended method, {TSOM++}, which additionally explores Relation of manipulations: 186 we propose a new sequential contrastive learning scheme to capture relationships between various manipulation types in sequence, further enhancing the detection of manipulation traces. We conduct extensive experiments in comparison with several state-of-the-art methods, demonstrating the superiority of our method. The code has been released at https://github.com/OUC-VAS/TSOM.

In the multiple unmanned aerial vehicle (UAV)- assisted downlink communication, it is challenging for UAV base stations (UAV BSs) to realize trajectory design and resource assignment in unknown environments. The cooperation and competition between UAV BSs in the communication network leads to a Markov game problem. Multi-agent reinforcement learning is a significant solution for the above decision-making. However, there are still many common issues, such as the instability of the system and low utilization of historical data, that limit its application. In this paper, a novel graph-attention multi-agent trust region (GA-MATR) reinforcement learning framework is proposed to solve the multi-UAV assisted communication problem. Graph recurrent network is introduced to process and analyze complex topology of the communication network, so as to extract useful information and patterns from observational information. The attention mechanism provides additional weighting for conveyed information, so that the critic network can accurately evaluate the value of behavior for UAV BSs. This provides more reliable feedback signals and helps the actor network update the strategy more effectively. Ablation simulations indicate that the proposed approach attains improved convergence over the baselines. UAV BSs learn the optimal communication strategies to achieve their maximum cumulative rewards. Additionally, multi-agent trust region method with monotonic convergence provides an estimated Nash equilibrium for the multi-UAV assisted communication Markov game.

Generating molecules with high binding affinities to target proteins (a.k.a. structure-based drug design) is a fundamental and challenging task in drug discovery. Recently, deep generative models have achieved remarkable success in generating 3D molecules conditioned on the protein pocket. However, most existing methods consider molecular generation for protein pockets independently while neglecting the underlying connections such as subpocket-level similarities. Subpockets are the local protein environments of ligand fragments and pockets with similar subpockets may bind the same molecular fragment (motif) even though their overall structures are different. Therefore, the trained models can hardly generalize to unseen protein pockets in real-world applications. In this paper, we propose a novel method DrugGPS for generalizable structure-based drug design. With the biochemical priors, we propose to learn subpocket prototypes and construct a global interaction graph to model the interactions between subpocket prototypes and molecular motifs. Moreover, a hierarchical graph transformer encoder and motif-based 3D molecule generation scheme are used to improve the model's performance. The experimental results show that our model consistently outperforms baselines in generating realistic drug candidates with high affinities in challenging out-of-distribution settings.

In computer-aided engineering design, the goal of a designer is to find an optimal design on a given requirement using the numerical simulator in loop with an optimization method. In this design optimization process, a good design optimization process is one that can reduce the time from inception to design. In this work, we take a class of design problem, that is computationally cheap to evaluate but has high dimensional design space. In such cases, traditional surrogate-based optimization does not offer any benefits. In this work, we propose an alternative way to use ML model to surrogate the design process that formulates the search problem as an inverse problem and can save time by finding the optimal design or at least a good initial seed design for optimization. By using this trained surrogate model with the traditional optimization method, we can get the best of both worlds. We call this as Surrogate Assisted Optimization (SAO)- a hybrid approach by mixing ML surrogate with the traditional optimization method. Empirical evaluations of propeller design problems show that a better efficient design can be found in fewer evaluations using SAO.

In various natural language processing tasks, passage retrieval and passage re-ranking are two key procedures in finding and ranking relevant information. Since both the two procedures contribute to the final performance, it is important to jointly optimize them in order to achieve mutual improvement. In this paper, we propose a novel joint training approach for dense passage retrieval and passage re-ranking. A major contribution is that we introduce the dynamic listwise distillation, where we design a unified listwise training approach for both the retriever and the re-ranker. During the dynamic distillation, the retriever and the re-ranker can be adaptively improved according to each other's relevance information. We also propose a hybrid data augmentation strategy to construct diverse training instances for listwise training approach. Extensive experiments show the effectiveness of our approach on both MSMARCO and Natural Questions datasets. Our code is available at https://github.com/PaddlePaddle/RocketQA.