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Aug 25

Hyper-SD: Trajectory Segmented Consistency Model for Efficient Image Synthesis

Recently, a series of diffusion-aware distillation algorithms have emerged to alleviate the computational overhead associated with the multi-step inference process of Diffusion Models (DMs). Current distillation techniques often dichotomize into two distinct aspects: i) ODE Trajectory Preservation; and ii) ODE Trajectory Reformulation. However, these approaches suffer from severe performance degradation or domain shifts. To address these limitations, we propose Hyper-SD, a novel framework that synergistically amalgamates the advantages of ODE Trajectory Preservation and Reformulation, while maintaining near-lossless performance during step compression. Firstly, we introduce Trajectory Segmented Consistency Distillation to progressively perform consistent distillation within pre-defined time-step segments, which facilitates the preservation of the original ODE trajectory from a higher-order perspective. Secondly, we incorporate human feedback learning to boost the performance of the model in a low-step regime and mitigate the performance loss incurred by the distillation process. Thirdly, we integrate score distillation to further improve the low-step generation capability of the model and offer the first attempt to leverage a unified LoRA to support the inference process at all steps. Extensive experiments and user studies demonstrate that Hyper-SD achieves SOTA performance from 1 to 8 inference steps for both SDXL and SD1.5. For example, Hyper-SDXL surpasses SDXL-Lightning by +0.68 in CLIP Score and +0.51 in Aes Score in the 1-step inference.

Consistent3D: Towards Consistent High-Fidelity Text-to-3D Generation with Deterministic Sampling Prior

Score distillation sampling (SDS) and its variants have greatly boosted the development of text-to-3D generation, but are vulnerable to geometry collapse and poor textures yet. To solve this issue, we first deeply analyze the SDS and find that its distillation sampling process indeed corresponds to the trajectory sampling of a stochastic differential equation (SDE): SDS samples along an SDE trajectory to yield a less noisy sample which then serves as a guidance to optimize a 3D model. However, the randomness in SDE sampling often leads to a diverse and unpredictable sample which is not always less noisy, and thus is not a consistently correct guidance, explaining the vulnerability of SDS. Since for any SDE, there always exists an ordinary differential equation (ODE) whose trajectory sampling can deterministically and consistently converge to the desired target point as the SDE, we propose a novel and effective "Consistent3D" method that explores the ODE deterministic sampling prior for text-to-3D generation. Specifically, at each training iteration, given a rendered image by a 3D model, we first estimate its desired 3D score function by a pre-trained 2D diffusion model, and build an ODE for trajectory sampling. Next, we design a consistency distillation sampling loss which samples along the ODE trajectory to generate two adjacent samples and uses the less noisy sample to guide another more noisy one for distilling the deterministic prior into the 3D model. Experimental results show the efficacy of our Consistent3D in generating high-fidelity and diverse 3D objects and large-scale scenes, as shown in Fig. 1. The codes are available at https://github.com/sail-sg/Consistent3D.

Diffusion Models as Optimizers for Efficient Planning in Offline RL

Diffusion models have shown strong competitiveness in offline reinforcement learning tasks by formulating decision-making as sequential generation. However, the practicality of these methods is limited due to the lengthy inference processes they require. In this paper, we address this problem by decomposing the sampling process of diffusion models into two decoupled subprocesses: 1) generating a feasible trajectory, which is a time-consuming process, and 2) optimizing the trajectory. With this decomposition approach, we are able to partially separate efficiency and quality factors, enabling us to simultaneously gain efficiency advantages and ensure quality assurance. We propose the Trajectory Diffuser, which utilizes a faster autoregressive model to handle the generation of feasible trajectories while retaining the trajectory optimization process of diffusion models. This allows us to achieve more efficient planning without sacrificing capability. To evaluate the effectiveness and efficiency of the Trajectory Diffuser, we conduct experiments on the D4RL benchmarks. The results demonstrate that our method achieves it 3-it 10 times faster inference speed compared to previous sequence modeling methods, while also outperforming them in terms of overall performance. https://github.com/RenMing-Huang/TrajectoryDiffuser Keywords: Reinforcement Learning and Efficient Planning and Diffusion Model

Accelerating Image Generation with Sub-path Linear Approximation Model

Diffusion models have significantly advanced the state of the art in image, audio, and video generation tasks. However, their applications in practical scenarios are hindered by slow inference speed. Drawing inspiration from the approximation strategies utilized in consistency models, we propose the Sub-path Linear Approximation Model (SLAM), which accelerates diffusion models while maintaining high-quality image generation. SLAM treats the PF-ODE trajectory as a series of PF-ODE sub-paths divided by sampled points, and harnesses sub-path linear (SL) ODEs to form a progressive and continuous error estimation along each individual PF-ODE sub-path. The optimization on such SL-ODEs allows SLAM to construct denoising mappings with smaller cumulative approximated errors. An efficient distillation method is also developed to facilitate the incorporation of more advanced diffusion models, such as latent diffusion models. Our extensive experimental results demonstrate that SLAM achieves an efficient training regimen, requiring only 6 A100 GPU days to produce a high-quality generative model capable of 2 to 4-step generation with high performance. Comprehensive evaluations on LAION, MS COCO 2014, and MS COCO 2017 datasets also illustrate that SLAM surpasses existing acceleration methods in few-step generation tasks, achieving state-of-the-art performance both on FID and the quality of the generated images.

AdjointDPM: Adjoint Sensitivity Method for Gradient Backpropagation of Diffusion Probabilistic Models

Existing customization methods require access to multiple reference examples to align pre-trained diffusion probabilistic models (DPMs) with user-provided concepts. This paper aims to address the challenge of DPM customization when the only available supervision is a differentiable metric defined on the generated contents. Since the sampling procedure of DPMs involves recursive calls to the denoising UNet, na\"ive gradient backpropagation requires storing the intermediate states of all iterations, resulting in extremely high memory consumption. To overcome this issue, we propose a novel method AdjointDPM, which first generates new samples from diffusion models by solving the corresponding probability-flow ODEs. It then uses the adjoint sensitivity method to backpropagate the gradients of the loss to the models' parameters (including conditioning signals, network weights, and initial noises) by solving another augmented ODE. To reduce numerical errors in both the forward generation and gradient backpropagation processes, we further reparameterize the probability-flow ODE and augmented ODE as simple non-stiff ODEs using exponential integration. Finally, we demonstrate the effectiveness of AdjointDPM on three interesting tasks: converting visual effects into identification text embeddings, finetuning DPMs for specific types of stylization, and optimizing initial noise to generate adversarial samples for security auditing.

Improving the Training of Rectified Flows

Diffusion models have shown great promise for image and video generation, but sampling from state-of-the-art models requires expensive numerical integration of a generative ODE. One approach for tackling this problem is rectified flows, which iteratively learn smooth ODE paths that are less susceptible to truncation error. However, rectified flows still require a relatively large number of function evaluations (NFEs). In this work, we propose improved techniques for training rectified flows, allowing them to compete with knowledge distillation methods even in the low NFE setting. Our main insight is that under realistic settings, a single iteration of the Reflow algorithm for training rectified flows is sufficient to learn nearly straight trajectories; hence, the current practice of using multiple Reflow iterations is unnecessary. We thus propose techniques to improve one-round training of rectified flows, including a U-shaped timestep distribution and LPIPS-Huber premetric. With these techniques, we improve the FID of the previous 2-rectified flow by up to 72% in the 1 NFE setting on CIFAR-10. On ImageNet 64times64, our improved rectified flow outperforms the state-of-the-art distillation methods such as consistency distillation and progressive distillation in both one-step and two-step settings and rivals the performance of improved consistency training (iCT) in FID. Code is available at https://github.com/sangyun884/rfpp.

Rectified Diffusion: Straightness Is Not Your Need in Rectified Flow

Diffusion models have greatly improved visual generation but are hindered by slow generation speed due to the computationally intensive nature of solving generative ODEs. Rectified flow, a widely recognized solution, improves generation speed by straightening the ODE path. Its key components include: 1) using the diffusion form of flow-matching, 2) employing boldsymbol v-prediction, and 3) performing rectification (a.k.a. reflow). In this paper, we argue that the success of rectification primarily lies in using a pretrained diffusion model to obtain matched pairs of noise and samples, followed by retraining with these matched noise-sample pairs. Based on this, components 1) and 2) are unnecessary. Furthermore, we highlight that straightness is not an essential training target for rectification; rather, it is a specific case of flow-matching models. The more critical training target is to achieve a first-order approximate ODE path, which is inherently curved for models like DDPM and Sub-VP. Building on this insight, we propose Rectified Diffusion, which generalizes the design space and application scope of rectification to encompass the broader category of diffusion models, rather than being restricted to flow-matching models. We validate our method on Stable Diffusion v1-5 and Stable Diffusion XL. Our method not only greatly simplifies the training procedure of rectified flow-based previous works (e.g., InstaFlow) but also achieves superior performance with even lower training cost. Our code is available at https://github.com/G-U-N/Rectified-Diffusion.

OS-Genesis: Automating GUI Agent Trajectory Construction via Reverse Task Synthesis

Graphical User Interface (GUI) agents powered by Vision-Language Models (VLMs) have demonstrated human-like computer control capability. Despite their utility in advancing digital automation, a critical bottleneck persists: collecting high-quality trajectory data for training. Common practices for collecting such data rely on human supervision or synthetic data generation through executing pre-defined tasks, which are either resource-intensive or unable to guarantee data quality. Moreover, these methods suffer from limited data diversity and significant gaps between synthetic data and real-world environments. To address these challenges, we propose OS-Genesis, a novel GUI data synthesis pipeline that reverses the conventional trajectory collection process. Instead of relying on pre-defined tasks, OS-Genesis enables agents first to perceive environments and perform step-wise interactions, then retrospectively derive high-quality tasks to enable trajectory-level exploration. A trajectory reward model is then employed to ensure the quality of the generated trajectories. We demonstrate that training GUI agents with OS-Genesis significantly improves their performance on highly challenging online benchmarks. In-depth analysis further validates OS-Genesis's efficiency and its superior data quality and diversity compared to existing synthesis methods. Our codes, data, and checkpoints are available at https://qiushisun.github.io/OS-Genesis-Home/{OS-Genesis Homepage}.

Deep Stochastic Kinematic Models for Probabilistic Motion Forecasting in Traffic

In trajectory forecasting tasks for traffic, future output trajectories can be computed by advancing the ego vehicle's state with predicted actions according to a kinematics model. By unrolling predicted trajectories via time integration and models of kinematic dynamics, predicted trajectories should not only be kinematically feasible but also relate uncertainty from one timestep to the next. While current works in probabilistic prediction do incorporate kinematic priors for mean trajectory prediction, variance is often left as a learnable parameter, despite uncertainty in one time step being inextricably tied to uncertainty in the previous time step. In this paper, we show simple and differentiable analytical approximations describing the relationship between variance at one timestep and that at the next with the kinematic bicycle model. These approximations can be easily incorporated with negligible additional overhead into any existing trajectory forecasting framework utilizing probabilistic predictions, whether it is autoregressive or one-shot prediction. In our results, we find that encoding the relationship between variance across timesteps works especially well in unoptimal settings, such as with small or noisy datasets. We observe up to a 50% performance boost in partial dataset settings and up to an 8% performance boost in large-scale learning compared to previous kinematic prediction methods on SOTA trajectory forecasting architectures out-of-the-box, with no fine-tuning. In this paper, we show four analytical formulations of probabilistic kinematic priors which can be used for any Gaussian Mixture Model (GMM)-based deep learning models, quantify the error bound on linear approximations applied during trajectory unrolling, and show results to evaluate each formulation in trajectory forecasting.

Graph-based Multi-ODE Neural Networks for Spatio-Temporal Traffic Forecasting

There is a recent surge in the development of spatio-temporal forecasting models in the transportation domain. Long-range traffic forecasting, however, remains a challenging task due to the intricate and extensive spatio-temporal correlations observed in traffic networks. Current works primarily rely on road networks with graph structures and learn representations using graph neural networks (GNNs), but this approach suffers from over-smoothing problem in deep architectures. To tackle this problem, recent methods introduced the combination of GNNs with residual connections or neural ordinary differential equations (ODE). However, current graph ODE models face two key limitations in feature extraction: (1) they lean towards global temporal patterns, overlooking local patterns that are important for unexpected events; and (2) they lack dynamic semantic edges in their architectural design. In this paper, we propose a novel architecture called Graph-based Multi-ODE Neural Networks (GRAM-ODE) which is designed with multiple connective ODE-GNN modules to learn better representations by capturing different views of complex local and global dynamic spatio-temporal dependencies. We also add some techniques like shared weights and divergence constraints into the intermediate layers of distinct ODE-GNN modules to further improve their communication towards the forecasting task. Our extensive set of experiments conducted on six real-world datasets demonstrate the superior performance of GRAM-ODE compared with state-of-the-art baselines as well as the contribution of different components to the overall performance. The code is available at https://github.com/zbliu98/GRAM-ODE

Pre-training on Synthetic Driving Data for Trajectory Prediction

Accumulating substantial volumes of real-world driving data proves pivotal in the realm of trajectory forecasting for autonomous driving. Given the heavy reliance of current trajectory forecasting models on data-driven methodologies, we aim to tackle the challenge of learning general trajectory forecasting representations under limited data availability. We propose a pipeline-level solution to mitigate the issue of data scarcity in trajectory forecasting. The solution is composed of two parts: firstly, we adopt HD map augmentation and trajectory synthesis for generating driving data, and then we learn representations by pre-training on them. Specifically, we apply vector transformations to reshape the maps, and then employ a rule-based model to generate trajectories on both original and augmented scenes; thus enlarging the driving data without collecting additional real ones. To foster the learning of general representations within this augmented dataset, we comprehensively explore the different pre-training strategies, including extending the concept of a Masked AutoEncoder (MAE) for trajectory forecasting. Without bells and whistles, our proposed pipeline-level solution is general, simple, yet effective: we conduct extensive experiments to demonstrate the effectiveness of our data expansion and pre-training strategies, which outperform the baseline prediction model by large margins, e.g. 5.04%, 3.84% and 8.30% in terms of MR_6, minADE_6 and minFDE_6. The pre-training dataset and the codes for pre-training and fine-tuning are released at https://github.com/yhli123/Pretraining_on_Synthetic_Driving_Data_for_Trajectory_Prediction.

Consistency Trajectory Matching for One-Step Generative Super-Resolution

Current diffusion-based super-resolution (SR) approaches achieve commendable performance at the cost of high inference overhead. Therefore, distillation techniques are utilized to accelerate the multi-step teacher model into one-step student model. Nevertheless, these methods significantly raise training costs and constrain the performance of the student model by the teacher model. To overcome these tough challenges, we propose Consistency Trajectory Matching for Super-Resolution (CTMSR), a distillation-free strategy that is able to generate photo-realistic SR results in one step. Concretely, we first formulate a Probability Flow Ordinary Differential Equation (PF-ODE) trajectory to establish a deterministic mapping from low-resolution (LR) images with noise to high-resolution (HR) images. Then we apply the Consistency Training (CT) strategy to directly learn the mapping in one step, eliminating the necessity of pre-trained diffusion model. To further enhance the performance and better leverage the ground-truth during the training process, we aim to align the distribution of SR results more closely with that of the natural images. To this end, we propose to minimize the discrepancy between their respective PF-ODE trajectories from the LR image distribution by our meticulously designed Distribution Trajectory Matching (DTM) loss, resulting in improved realism of our recovered HR images. Comprehensive experimental results demonstrate that the proposed methods can attain comparable or even superior capabilities on both synthetic and real datasets while maintaining minimal inference latency.

Action Flow Matching for Continual Robot Learning

Continual learning in robotics seeks systems that can constantly adapt to changing environments and tasks, mirroring human adaptability. A key challenge is refining dynamics models, essential for planning and control, while addressing issues such as safe adaptation, catastrophic forgetting, outlier management, data efficiency, and balancing exploration with exploitation -- all within task and onboard resource constraints. Towards this goal, we introduce a generative framework leveraging flow matching for online robot dynamics model alignment. Rather than executing actions based on a misaligned model, our approach refines planned actions to better match with those the robot would take if its model was well aligned. We find that by transforming the actions themselves rather than exploring with a misaligned model -- as is traditionally done -- the robot collects informative data more efficiently, thereby accelerating learning. Moreover, we validate that the method can handle an evolving and possibly imperfect model while reducing, if desired, the dependency on replay buffers or legacy model snapshots. We validate our approach using two platforms: an unmanned ground vehicle and a quadrotor. The results highlight the method's adaptability and efficiency, with a record 34.2\% higher task success rate, demonstrating its potential towards enabling continual robot learning. Code: https://github.com/AlejandroMllo/action_flow_matching.

Force-Free Molecular Dynamics Through Autoregressive Equivariant Networks

Molecular dynamics (MD) simulations play a crucial role in scientific research. Yet their computational cost often limits the timescales and system sizes that can be explored. Most data-driven efforts have been focused on reducing the computational cost of accurate interatomic forces required for solving the equations of motion. Despite their success, however, these machine learning interatomic potentials (MLIPs) are still bound to small time-steps. In this work, we introduce TrajCast, a transferable and data-efficient framework based on autoregressive equivariant message passing networks that directly updates atomic positions and velocities lifting the constraints imposed by traditional numerical integration. We benchmark our framework across various systems, including a small molecule, crystalline material, and bulk liquid, demonstrating excellent agreement with reference MD simulations for structural, dynamical, and energetic properties. Depending on the system, TrajCast allows for forecast intervals up to 30times larger than traditional MD time-steps, generating over 15 ns of trajectory data per day for a solid with more than 4,000 atoms. By enabling efficient large-scale simulations over extended timescales, TrajCast can accelerate materials discovery and explore physical phenomena beyond the reach of traditional simulations and experiments. An open-source implementation of TrajCast is accessible under https://github.com/IBM/trajcast.

DPM-Solver-v3: Improved Diffusion ODE Solver with Empirical Model Statistics

Diffusion probabilistic models (DPMs) have exhibited excellent performance for high-fidelity image generation while suffering from inefficient sampling. Recent works accelerate the sampling procedure by proposing fast ODE solvers that leverage the specific ODE form of DPMs. However, they highly rely on specific parameterization during inference (such as noise/data prediction), which might not be the optimal choice. In this work, we propose a novel formulation towards the optimal parameterization during sampling that minimizes the first-order discretization error of the ODE solution. Based on such formulation, we propose DPM-Solver-v3, a new fast ODE solver for DPMs by introducing several coefficients efficiently computed on the pretrained model, which we call empirical model statistics. We further incorporate multistep methods and a predictor-corrector framework, and propose some techniques for improving sample quality at small numbers of function evaluations (NFE) or large guidance scales. Experiments show that DPM-Solver-v3 achieves consistently better or comparable performance in both unconditional and conditional sampling with both pixel-space and latent-space DPMs, especially in 5sim10 NFEs. We achieve FIDs of 12.21 (5 NFE), 2.51 (10 NFE) on unconditional CIFAR10, and MSE of 0.55 (5 NFE, 7.5 guidance scale) on Stable Diffusion, bringing a speed-up of 15\%sim30\% compared to previous state-of-the-art training-free methods. Code is available at https://github.com/thu-ml/DPM-Solver-v3.

DragNUWA: Fine-grained Control in Video Generation by Integrating Text, Image, and Trajectory

Controllable video generation has gained significant attention in recent years. However, two main limitations persist: Firstly, most existing works focus on either text, image, or trajectory-based control, leading to an inability to achieve fine-grained control in videos. Secondly, trajectory control research is still in its early stages, with most experiments being conducted on simple datasets like Human3.6M. This constraint limits the models' capability to process open-domain images and effectively handle complex curved trajectories. In this paper, we propose DragNUWA, an open-domain diffusion-based video generation model. To tackle the issue of insufficient control granularity in existing works, we simultaneously introduce text, image, and trajectory information to provide fine-grained control over video content from semantic, spatial, and temporal perspectives. To resolve the problem of limited open-domain trajectory control in current research, We propose trajectory modeling with three aspects: a Trajectory Sampler (TS) to enable open-domain control of arbitrary trajectories, a Multiscale Fusion (MF) to control trajectories in different granularities, and an Adaptive Training (AT) strategy to generate consistent videos following trajectories. Our experiments validate the effectiveness of DragNUWA, demonstrating its superior performance in fine-grained control in video generation. The homepage link is https://www.microsoft.com/en-us/research/project/dragnuwa/

GoalFlow: Goal-Driven Flow Matching for Multimodal Trajectories Generation in End-to-End Autonomous Driving

We propose GoalFlow, an end-to-end autonomous driving method for generating high-quality multimodal trajectories. In autonomous driving scenarios, there is rarely a single suitable trajectory. Recent methods have increasingly focused on modeling multimodal trajectory distributions. However, they suffer from trajectory selection complexity and reduced trajectory quality due to high trajectory divergence and inconsistencies between guidance and scene information. To address these issues, we introduce GoalFlow, a novel method that effectively constrains the generative process to produce high-quality, multimodal trajectories. To resolve the trajectory divergence problem inherent in diffusion-based methods, GoalFlow constrains the generated trajectories by introducing a goal point. GoalFlow establishes a novel scoring mechanism that selects the most appropriate goal point from the candidate points based on scene information. Furthermore, GoalFlow employs an efficient generative method, Flow Matching, to generate multimodal trajectories, and incorporates a refined scoring mechanism to select the optimal trajectory from the candidates. Our experimental results, validated on the NavsimDauner2024_navsim, demonstrate that GoalFlow achieves state-of-the-art performance, delivering robust multimodal trajectories for autonomous driving. GoalFlow achieved PDMS of 90.3, significantly surpassing other methods. Compared with other diffusion-policy-based methods, our approach requires only a single denoising step to obtain excellent performance. The code is available at https://github.com/YvanYin/GoalFlow.

Progressive Pretext Task Learning for Human Trajectory Prediction

Human trajectory prediction is a practical task of predicting the future positions of pedestrians on the road, which typically covers all temporal ranges from short-term to long-term within a trajectory. However, existing works attempt to address the entire trajectory prediction with a singular, uniform training paradigm, neglecting the distinction between short-term and long-term dynamics in human trajectories. To overcome this limitation, we introduce a novel Progressive Pretext Task learning (PPT) framework, which progressively enhances the model's capacity of capturing short-term dynamics and long-term dependencies for the final entire trajectory prediction. Specifically, we elaborately design three stages of training tasks in the PPT framework. In the first stage, the model learns to comprehend the short-term dynamics through a stepwise next-position prediction task. In the second stage, the model is further enhanced to understand long-term dependencies through a destination prediction task. In the final stage, the model aims to address the entire future trajectory task by taking full advantage of the knowledge from previous stages. To alleviate the knowledge forgetting, we further apply a cross-task knowledge distillation. Additionally, we design a Transformer-based trajectory predictor, which is able to achieve highly efficient two-step reasoning by integrating a destination-driven prediction strategy and a group of learnable prompt embeddings. Extensive experiments on popular benchmarks have demonstrated that our proposed approach achieves state-of-the-art performance with high efficiency. Code is available at https://github.com/iSEE-Laboratory/PPT.

EigenTrajectory: Low-Rank Descriptors for Multi-Modal Trajectory Forecasting

Capturing high-dimensional social interactions and feasible futures is essential for predicting trajectories. To address this complex nature, several attempts have been devoted to reducing the dimensionality of the output variables via parametric curve fitting such as the B\'ezier curve and B-spline function. However, these functions, which originate in computer graphics fields, are not suitable to account for socially acceptable human dynamics. In this paper, we present EigenTrajectory (ET), a trajectory prediction approach that uses a novel trajectory descriptor to form a compact space, known here as ET space, in place of Euclidean space, for representing pedestrian movements. We first reduce the complexity of the trajectory descriptor via a low-rank approximation. We transform the pedestrians' history paths into our ET space represented by spatio-temporal principle components, and feed them into off-the-shelf trajectory forecasting models. The inputs and outputs of the models as well as social interactions are all gathered and aggregated in the corresponding ET space. Lastly, we propose a trajectory anchor-based refinement method to cover all possible futures in the proposed ET space. Extensive experiments demonstrate that our EigenTrajectory predictor can significantly improve both the prediction accuracy and reliability of existing trajectory forecasting models on public benchmarks, indicating that the proposed descriptor is suited to represent pedestrian behaviors. Code is publicly available at https://github.com/inhwanbae/EigenTrajectory .

ReinFlow: Fine-tuning Flow Matching Policy with Online Reinforcement Learning

We propose ReinFlow, a simple yet effective online reinforcement learning (RL) framework that fine-tunes a family of flow matching policies for continuous robotic control. Derived from rigorous RL theory, ReinFlow injects learnable noise into a flow policy's deterministic path, converting the flow into a discrete-time Markov Process for exact and straightforward likelihood computation. This conversion facilitates exploration and ensures training stability, enabling ReinFlow to fine-tune diverse flow model variants, including Rectified Flow [35] and Shortcut Models [19], particularly at very few or even one denoising step. We benchmark ReinFlow in representative locomotion and manipulation tasks, including long-horizon planning with visual input and sparse reward. The episode reward of Rectified Flow policies obtained an average net growth of 135.36% after fine-tuning in challenging legged locomotion tasks while saving denoising steps and 82.63% of wall time compared to state-of-the-art diffusion RL fine-tuning method DPPO [43]. The success rate of the Shortcut Model policies in state and visual manipulation tasks achieved an average net increase of 40.34% after fine-tuning with ReinFlow at four or even one denoising step, whose performance is comparable to fine-tuned DDIM policies while saving computation time for an average of 23.20%. Project webpage: https://reinflow.github.io/

Flow Straight and Fast: Learning to Generate and Transfer Data with Rectified Flow

We present rectified flow, a surprisingly simple approach to learning (neural) ordinary differential equation (ODE) models to transport between two empirically observed distributions \pi_0 and \pi_1, hence providing a unified solution to generative modeling and domain transfer, among various other tasks involving distribution transport. The idea of rectified flow is to learn the ODE to follow the straight paths connecting the points drawn from \pi_0 and \pi_1 as much as possible. This is achieved by solving a straightforward nonlinear least squares optimization problem, which can be easily scaled to large models without introducing extra parameters beyond standard supervised learning. The straight paths are special and preferred because they are the shortest paths between two points, and can be simulated exactly without time discretization and hence yield computationally efficient models. We show that the procedure of learning a rectified flow from data, called rectification, turns an arbitrary coupling of \pi_0 and \pi_1 to a new deterministic coupling with provably non-increasing convex transport costs. In addition, recursively applying rectification allows us to obtain a sequence of flows with increasingly straight paths, which can be simulated accurately with coarse time discretization in the inference phase. In empirical studies, we show that rectified flow performs superbly on image generation, image-to-image translation, and domain adaptation. In particular, on image generation and translation, our method yields nearly straight flows that give high quality results even with a single Euler discretization step.

Dreamer XL: Towards High-Resolution Text-to-3D Generation via Trajectory Score Matching

In this work, we propose a novel Trajectory Score Matching (TSM) method that aims to solve the pseudo ground truth inconsistency problem caused by the accumulated error in Interval Score Matching (ISM) when using the Denoising Diffusion Implicit Models (DDIM) inversion process. Unlike ISM which adopts the inversion process of DDIM to calculate on a single path, our TSM method leverages the inversion process of DDIM to generate two paths from the same starting point for calculation. Since both paths start from the same starting point, TSM can reduce the accumulated error compared to ISM, thus alleviating the problem of pseudo ground truth inconsistency. TSM enhances the stability and consistency of the model's generated paths during the distillation process. We demonstrate this experimentally and further show that ISM is a special case of TSM. Furthermore, to optimize the current multi-stage optimization process from high-resolution text to 3D generation, we adopt Stable Diffusion XL for guidance. In response to the issues of abnormal replication and splitting caused by unstable gradients during the 3D Gaussian splatting process when using Stable Diffusion XL, we propose a pixel-by-pixel gradient clipping method. Extensive experiments show that our model significantly surpasses the state-of-the-art models in terms of visual quality and performance. Code: https://github.com/xingy038/Dreamer-XL.

ASID: Active Exploration for System Identification in Robotic Manipulation

Model-free control strategies such as reinforcement learning have shown the ability to learn control strategies without requiring an accurate model or simulator of the world. While this is appealing due to the lack of modeling requirements, such methods can be sample inefficient, making them impractical in many real-world domains. On the other hand, model-based control techniques leveraging accurate simulators can circumvent these challenges and use a large amount of cheap simulation data to learn controllers that can effectively transfer to the real world. The challenge with such model-based techniques is the requirement for an extremely accurate simulation, requiring both the specification of appropriate simulation assets and physical parameters. This requires considerable human effort to design for every environment being considered. In this work, we propose a learning system that can leverage a small amount of real-world data to autonomously refine a simulation model and then plan an accurate control strategy that can be deployed in the real world. Our approach critically relies on utilizing an initial (possibly inaccurate) simulator to design effective exploration policies that, when deployed in the real world, collect high-quality data. We demonstrate the efficacy of this paradigm in identifying articulation, mass, and other physical parameters in several challenging robotic manipulation tasks, and illustrate that only a small amount of real-world data can allow for effective sim-to-real transfer. Project website at https://weirdlabuw.github.io/asid

On Kinetic Optimal Probability Paths for Generative Models

Recent successful generative models are trained by fitting a neural network to an a-priori defined tractable probability density path taking noise to training examples. In this paper we investigate the space of Gaussian probability paths, which includes diffusion paths as an instance, and look for an optimal member in some useful sense. In particular, minimizing the Kinetic Energy (KE) of a path is known to make particles' trajectories simple, hence easier to sample, and empirically improve performance in terms of likelihood of unseen data and sample generation quality. We investigate Kinetic Optimal (KO) Gaussian paths and offer the following observations: (i) We show the KE takes a simplified form on the space of Gaussian paths, where the data is incorporated only through a single, one dimensional scalar function, called the data separation function. (ii) We characterize the KO solutions with a one dimensional ODE. (iii) We approximate data-dependent KO paths by approximating the data separation function and minimizing the KE. (iv) We prove that the data separation function converges to 1 in the general case of arbitrary normalized dataset consisting of n samples in d dimension as n/drightarrow 0. A consequence of this result is that the Conditional Optimal Transport (Cond-OT) path becomes kinetic optimal as n/drightarrow 0. We further support this theory with empirical experiments on ImageNet.

COPlanner: Plan to Roll Out Conservatively but to Explore Optimistically for Model-Based RL

Dyna-style model-based reinforcement learning contains two phases: model rollouts to generate sample for policy learning and real environment exploration using current policy for dynamics model learning. However, due to the complex real-world environment, it is inevitable to learn an imperfect dynamics model with model prediction error, which can further mislead policy learning and result in sub-optimal solutions. In this paper, we propose COPlanner, a planning-driven framework for model-based methods to address the inaccurately learned dynamics model problem with conservative model rollouts and optimistic environment exploration. COPlanner leverages an uncertainty-aware policy-guided model predictive control (UP-MPC) component to plan for multi-step uncertainty estimation. This estimated uncertainty then serves as a penalty during model rollouts and as a bonus during real environment exploration respectively, to choose actions. Consequently, COPlanner can avoid model uncertain regions through conservative model rollouts, thereby alleviating the influence of model error. Simultaneously, it explores high-reward model uncertain regions to reduce model error actively through optimistic real environment exploration. COPlanner is a plug-and-play framework that can be applied to any dyna-style model-based methods. Experimental results on a series of proprioceptive and visual continuous control tasks demonstrate that both sample efficiency and asymptotic performance of strong model-based methods are significantly improved combined with COPlanner.

Consistency Trajectory Models: Learning Probability Flow ODE Trajectory of Diffusion

Consistency Models (CM) (Song et al., 2023) accelerate score-based diffusion model sampling at the cost of sample quality but lack a natural way to trade-off quality for speed. To address this limitation, we propose Consistency Trajectory Model (CTM), a generalization encompassing CM and score-based models as special cases. CTM trains a single neural network that can -- in a single forward pass -- output scores (i.e., gradients of log-density) and enables unrestricted traversal between any initial and final time along the Probability Flow Ordinary Differential Equation (ODE) in a diffusion process. CTM enables the efficient combination of adversarial training and denoising score matching loss to enhance performance and achieves new state-of-the-art FIDs for single-step diffusion model sampling on CIFAR-10 (FID 1.73) and ImageNet at 64x64 resolution (FID 1.92). CTM also enables a new family of sampling schemes, both deterministic and stochastic, involving long jumps along the ODE solution trajectories. It consistently improves sample quality as computational budgets increase, avoiding the degradation seen in CM. Furthermore, unlike CM, CTM's access to the score function can streamline the adoption of established controllable/conditional generation methods from the diffusion community. This access also enables the computation of likelihood. The code is available at https://github.com/sony/ctm.

A Low-complexity Structured Neural Network to Realize States of Dynamical Systems

Data-driven learning is rapidly evolving and places a new perspective on realizing state-space dynamical systems. However, dynamical systems derived from nonlinear ordinary differential equations (ODEs) suffer from limitations in computational efficiency. Thus, this paper stems from data-driven learning to advance states of dynamical systems utilizing a structured neural network (StNN). The proposed learning technique also seeks to identify an optimal, low-complexity operator to solve dynamical systems, the so-called Hankel operator, derived from time-delay measurements. Thus, we utilize the StNN based on the Hankel operator to solve dynamical systems as an alternative to existing data-driven techniques. We show that the proposed StNN reduces the number of parameters and computational complexity compared with the conventional neural networks and also with the classical data-driven techniques, such as Sparse Identification of Nonlinear Dynamics (SINDy) and Hankel Alternative view of Koopman (HAVOK), which is commonly known as delay-Dynamic Mode Decomposition(DMD) or Hankel-DMD. More specifically, we present numerical simulations to solve dynamical systems utilizing the StNN based on the Hankel operator beginning from the fundamental Lotka-Volterra model, where we compare the StNN with the LEarning Across Dynamical Systems (LEADS), and extend our analysis to highly nonlinear and chaotic Lorenz systems, comparing the StNN with conventional neural networks, SINDy, and HAVOK. Hence, we show that the proposed StNN paves the way for realizing state-space dynamical systems with a low-complexity learning algorithm, enabling prediction and understanding of future states.

Closing the ODE-SDE gap in score-based diffusion models through the Fokker-Planck equation

Score-based diffusion models have emerged as one of the most promising frameworks for deep generative modelling, due to their state-of-the art performance in many generation tasks while relying on mathematical foundations such as stochastic differential equations (SDEs) and ordinary differential equations (ODEs). Empirically, it has been reported that ODE based samples are inferior to SDE based samples. In this paper we rigorously describe the range of dynamics and approximations that arise when training score-based diffusion models, including the true SDE dynamics, the neural approximations, the various approximate particle dynamics that result, as well as their associated Fokker--Planck equations and the neural network approximations of these Fokker--Planck equations. We systematically analyse the difference between the ODE and SDE dynamics of score-based diffusion models, and link it to an associated Fokker--Planck equation. We derive a theoretical upper bound on the Wasserstein 2-distance between the ODE- and SDE-induced distributions in terms of a Fokker--Planck residual. We also show numerically that conventional score-based diffusion models can exhibit significant differences between ODE- and SDE-induced distributions which we demonstrate using explicit comparisons. Moreover, we show numerically that reducing the Fokker--Planck residual by adding it as an additional regularisation term leads to closing the gap between ODE- and SDE-induced distributions. Our experiments suggest that this regularisation can improve the distribution generated by the ODE, however that this can come at the cost of degraded SDE sample quality.

DPM-Solver: A Fast ODE Solver for Diffusion Probabilistic Model Sampling in Around 10 Steps

Diffusion probabilistic models (DPMs) are emerging powerful generative models. Despite their high-quality generation performance, DPMs still suffer from their slow sampling as they generally need hundreds or thousands of sequential function evaluations (steps) of large neural networks to draw a sample. Sampling from DPMs can be viewed alternatively as solving the corresponding diffusion ordinary differential equations (ODEs). In this work, we propose an exact formulation of the solution of diffusion ODEs. The formulation analytically computes the linear part of the solution, rather than leaving all terms to black-box ODE solvers as adopted in previous works. By applying change-of-variable, the solution can be equivalently simplified to an exponentially weighted integral of the neural network. Based on our formulation, we propose DPM-Solver, a fast dedicated high-order solver for diffusion ODEs with the convergence order guarantee. DPM-Solver is suitable for both discrete-time and continuous-time DPMs without any further training. Experimental results show that DPM-Solver can generate high-quality samples in only 10 to 20 function evaluations on various datasets. We achieve 4.70 FID in 10 function evaluations and 2.87 FID in 20 function evaluations on the CIFAR10 dataset, and a 4sim 16times speedup compared with previous state-of-the-art training-free samplers on various datasets.

Locally Regularized Neural Differential Equations: Some Black Boxes Were Meant to Remain Closed!

Implicit layer deep learning techniques, like Neural Differential Equations, have become an important modeling framework due to their ability to adapt to new problems automatically. Training a neural differential equation is effectively a search over a space of plausible dynamical systems. However, controlling the computational cost for these models is difficult since it relies on the number of steps the adaptive solver takes. Most prior works have used higher-order methods to reduce prediction timings while greatly increasing training time or reducing both training and prediction timings by relying on specific training algorithms, which are harder to use as a drop-in replacement due to strict requirements on automatic differentiation. In this manuscript, we use internal cost heuristics of adaptive differential equation solvers at stochastic time points to guide the training toward learning a dynamical system that is easier to integrate. We "close the black-box" and allow the use of our method with any adjoint technique for gradient calculations of the differential equation solution. We perform experimental studies to compare our method to global regularization to show that we attain similar performance numbers without compromising the flexibility of implementation on ordinary differential equations (ODEs) and stochastic differential equations (SDEs). We develop two sampling strategies to trade off between performance and training time. Our method reduces the number of function evaluations to 0.556-0.733x and accelerates predictions by 1.3-2x.

PFGM++: Unlocking the Potential of Physics-Inspired Generative Models

We introduce a new family of physics-inspired generative models termed PFGM++ that unifies diffusion models and Poisson Flow Generative Models (PFGM). These models realize generative trajectories for N dimensional data by embedding paths in N{+}D dimensional space while still controlling the progression with a simple scalar norm of the D additional variables. The new models reduce to PFGM when D{=}1 and to diffusion models when D{to}infty. The flexibility of choosing D allows us to trade off robustness against rigidity as increasing D results in more concentrated coupling between the data and the additional variable norms. We dispense with the biased large batch field targets used in PFGM and instead provide an unbiased perturbation-based objective similar to diffusion models. To explore different choices of D, we provide a direct alignment method for transferring well-tuned hyperparameters from diffusion models (D{to} infty) to any finite D values. Our experiments show that models with finite D can be superior to previous state-of-the-art diffusion models on CIFAR-10/FFHQ 64{times}64 datasets, with FID scores of 1.91/2.43 when D{=}2048/128. In class-conditional setting, D{=}2048 yields current state-of-the-art FID of 1.74 on CIFAR-10. In addition, we demonstrate that models with smaller D exhibit improved robustness against modeling errors. Code is available at https://github.com/Newbeeer/pfgmpp

Minimizing the Accumulated Trajectory Error to Improve Dataset Distillation

Model-based deep learning has achieved astounding successes due in part to the availability of large-scale real-world data. However, processing such massive amounts of data comes at a considerable cost in terms of computations, storage, training and the search for good neural architectures. Dataset distillation has thus recently come to the fore. This paradigm involves distilling information from large real-world datasets into tiny and compact synthetic datasets such that processing the latter ideally yields similar performances as the former. State-of-the-art methods primarily rely on learning the synthetic dataset by matching the gradients obtained during training between the real and synthetic data. However, these gradient-matching methods suffer from the so-called accumulated trajectory error caused by the discrepancy between the distillation and subsequent evaluation. To mitigate the adverse impact of this accumulated trajectory error, we propose a novel approach that encourages the optimization algorithm to seek a flat trajectory. We show that the weights trained on synthetic data are robust against the accumulated errors perturbations with the regularization towards the flat trajectory. Our method, called Flat Trajectory Distillation (FTD), is shown to boost the performance of gradient-matching methods by up to 4.7% on a subset of images of the ImageNet dataset with higher resolution images. We also validate the effectiveness and generalizability of our method with datasets of different resolutions and demonstrate its applicability to neural architecture search. Code is available at https://github.com/AngusDujw/FTD-distillation.

Fast Sampling of Diffusion Models with Exponential Integrator

The past few years have witnessed the great success of Diffusion models~(DMs) in generating high-fidelity samples in generative modeling tasks. A major limitation of the DM is its notoriously slow sampling procedure which normally requires hundreds to thousands of time discretization steps of the learned diffusion process to reach the desired accuracy. Our goal is to develop a fast sampling method for DMs with a much less number of steps while retaining high sample quality. To this end, we systematically analyze the sampling procedure in DMs and identify key factors that affect the sample quality, among which the method of discretization is most crucial. By carefully examining the learned diffusion process, we propose Diffusion Exponential Integrator Sampler~(DEIS). It is based on the Exponential Integrator designed for discretizing ordinary differential equations (ODEs) and leverages a semilinear structure of the learned diffusion process to reduce the discretization error. The proposed method can be applied to any DMs and can generate high-fidelity samples in as few as 10 steps. In our experiments, it takes about 3 minutes on one A6000 GPU to generate 50k images from CIFAR10. Moreover, by directly using pre-trained DMs, we achieve the state-of-art sampling performance when the number of score function evaluation~(NFE) is limited, e.g., 4.17 FID with 10 NFEs, 3.37 FID, and 9.74 IS with only 15 NFEs on CIFAR10. Code is available at https://github.com/qsh-zh/deis

Opening the Blackbox: Accelerating Neural Differential Equations by Regularizing Internal Solver Heuristics

Democratization of machine learning requires architectures that automatically adapt to new problems. Neural Differential Equations (NDEs) have emerged as a popular modeling framework by removing the need for ML practitioners to choose the number of layers in a recurrent model. While we can control the computational cost by choosing the number of layers in standard architectures, in NDEs the number of neural network evaluations for a forward pass can depend on the number of steps of the adaptive ODE solver. But, can we force the NDE to learn the version with the least steps while not increasing the training cost? Current strategies to overcome slow prediction require high order automatic differentiation, leading to significantly higher training time. We describe a novel regularization method that uses the internal cost heuristics of adaptive differential equation solvers combined with discrete adjoint sensitivities to guide the training process towards learning NDEs that are easier to solve. This approach opens up the blackbox numerical analysis behind the differential equation solver's algorithm and directly uses its local error estimates and stiffness heuristics as cheap and accurate cost estimates. We incorporate our method without any change in the underlying NDE framework and show that our method extends beyond Ordinary Differential Equations to accommodate Neural Stochastic Differential Equations. We demonstrate how our approach can halve the prediction time and, unlike other methods which can increase the training time by an order of magnitude, we demonstrate similar reduction in training times. Together this showcases how the knowledge embedded within state-of-the-art equation solvers can be used to enhance machine learning.

Stable Neural Stochastic Differential Equations in Analyzing Irregular Time Series Data

Irregular sampling intervals and missing values in real-world time series data present challenges for conventional methods that assume consistent intervals and complete data. Neural Ordinary Differential Equations (Neural ODEs) offer an alternative approach, utilizing neural networks combined with ODE solvers to learn continuous latent representations through parameterized vector fields. Neural Stochastic Differential Equations (Neural SDEs) extend Neural ODEs by incorporating a diffusion term, although this addition is not trivial, particularly when addressing irregular intervals and missing values. Consequently, careful design of drift and diffusion functions is crucial for maintaining stability and enhancing performance, while incautious choices can result in adverse properties such as the absence of strong solutions, stochastic destabilization, or unstable Euler discretizations, significantly affecting Neural SDEs' performance. In this study, we propose three stable classes of Neural SDEs: Langevin-type SDE, Linear Noise SDE, and Geometric SDE. Then, we rigorously demonstrate their robustness in maintaining excellent performance under distribution shift, while effectively preventing overfitting. To assess the effectiveness of our approach, we conduct extensive experiments on four benchmark datasets for interpolation, forecasting, and classification tasks, and analyze the robustness of our methods with 30 public datasets under different missing rates. Our results demonstrate the efficacy of the proposed method in handling real-world irregular time series data.

Generalized Trajectory Scoring for End-to-end Multimodal Planning

End-to-end multi-modal planning is a promising paradigm in autonomous driving, enabling decision-making with diverse trajectory candidates. A key component is a robust trajectory scorer capable of selecting the optimal trajectory from these candidates. While recent trajectory scorers focus on scoring either large sets of static trajectories or small sets of dynamically generated ones, both approaches face significant limitations in generalization. Static vocabularies provide effective coarse discretization but struggle to make fine-grained adaptation, while dynamic proposals offer detailed precision but fail to capture broader trajectory distributions. To overcome these challenges, we propose GTRS (Generalized Trajectory Scoring), a unified framework for end-to-end multi-modal planning that combines coarse and fine-grained trajectory evaluation. GTRS consists of three complementary innovations: (1) a diffusion-based trajectory generator that produces diverse fine-grained proposals; (2) a vocabulary generalization technique that trains a scorer on super-dense trajectory sets with dropout regularization, enabling its robust inference on smaller subsets; and (3) a sensor augmentation strategy that enhances out-of-domain generalization while incorporating refinement training for critical trajectory discrimination. As the winning solution of the Navsim v2 Challenge, GTRS demonstrates superior performance even with sub-optimal sensor inputs, approaching privileged methods that rely on ground-truth perception. Code will be available at https://github.com/NVlabs/GTRS.

Almost-Linear RNNs Yield Highly Interpretable Symbolic Codes in Dynamical Systems Reconstruction

Dynamical systems (DS) theory is fundamental for many areas of science and engineering. It can provide deep insights into the behavior of systems evolving in time, as typically described by differential or recursive equations. A common approach to facilitate mathematical tractability and interpretability of DS models involves decomposing nonlinear DS into multiple linear DS separated by switching manifolds, i.e. piecewise linear (PWL) systems. PWL models are popular in engineering and a frequent choice in mathematics for analyzing the topological properties of DS. However, hand-crafting such models is tedious and only possible for very low-dimensional scenarios, while inferring them from data usually gives rise to unnecessarily complex representations with very many linear subregions. Here we introduce Almost-Linear Recurrent Neural Networks (AL-RNNs) which automatically and robustly produce most parsimonious PWL representations of DS from time series data, using as few PWL nonlinearities as possible. AL-RNNs can be efficiently trained with any SOTA algorithm for dynamical systems reconstruction (DSR), and naturally give rise to a symbolic encoding of the underlying DS that provably preserves important topological properties. We show that for the Lorenz and R\"ossler systems, AL-RNNs discover, in a purely data-driven way, the known topologically minimal PWL representations of the corresponding chaotic attractors. We further illustrate on two challenging empirical datasets that interpretable symbolic encodings of the dynamics can be achieved, tremendously facilitating mathematical and computational analysis of the underlying systems.

Understanding and Improving Transformer From a Multi-Particle Dynamic System Point of View

The Transformer architecture is widely used in natural language processing. Despite its success, the design principle of the Transformer remains elusive. In this paper, we provide a novel perspective towards understanding the architecture: we show that the Transformer can be mathematically interpreted as a numerical Ordinary Differential Equation (ODE) solver for a convection-diffusion equation in a multi-particle dynamic system. In particular, how words in a sentence are abstracted into contexts by passing through the layers of the Transformer can be interpreted as approximating multiple particles' movement in the space using the Lie-Trotter splitting scheme and the Euler's method. Given this ODE's perspective, the rich literature of numerical analysis can be brought to guide us in designing effective structures beyond the Transformer. As an example, we propose to replace the Lie-Trotter splitting scheme by the Strang-Marchuk splitting scheme, a scheme that is more commonly used and with much lower local truncation errors. The Strang-Marchuk splitting scheme suggests that the self-attention and position-wise feed-forward network (FFN) sub-layers should not be treated equally. Instead, in each layer, two position-wise FFN sub-layers should be used, and the self-attention sub-layer is placed in between. This leads to a brand new architecture. Such an FFN-attention-FFN layer is "Macaron-like", and thus we call the network with this new architecture the Macaron Net. Through extensive experiments, we show that the Macaron Net is superior to the Transformer on both supervised and unsupervised learning tasks. The reproducible codes and pretrained models can be found at https://github.com/zhuohan123/macaron-net

Multi-marginal Schrödinger Bridges with Iterative Reference Refinement

Practitioners frequently aim to infer an unobserved population trajectory using sample snapshots at multiple time points. For instance, in single-cell sequencing, scientists would like to learn how gene expression evolves over time. But sequencing any cell destroys that cell. So we cannot access any cell's full trajectory, but we can access snapshot samples from many cells. Stochastic differential equations are commonly used to analyze systems with full individual-trajectory access; since here we have only sample snapshots, these methods are inapplicable. The deep learning community has recently explored using Schr\"odinger bridges (SBs) and their extensions to estimate these dynamics. However, these methods either (1) interpolate between just two time points or (2) require a single fixed reference dynamic within the SB, which is often just set to be Brownian motion. But learning piecewise from adjacent time points can fail to capture long-term dependencies. And practitioners are typically able to specify a model class for the reference dynamic but not the exact values of the parameters within it. So we propose a new method that (1) learns the unobserved trajectories from sample snapshots across multiple time points and (2) requires specification only of a class of reference dynamics, not a single fixed one. In particular, we suggest an iterative projection method inspired by Schr\"odinger bridges; we alternate between learning a piecewise SB on the unobserved trajectories and using the learned SB to refine our best guess for the dynamics within the reference class. We demonstrate the advantages of our method via a well-known simulated parametric model from ecology, simulated and real data from systems biology, and real motion-capture data.

A Unified Sampling Framework for Solver Searching of Diffusion Probabilistic Models

Recent years have witnessed the rapid progress and broad application of diffusion probabilistic models (DPMs). Sampling from DPMs can be viewed as solving an ordinary differential equation (ODE). Despite the promising performance, the generation of DPMs usually consumes much time due to the large number of function evaluations (NFE). Though recent works have accelerated the sampling to around 20 steps with high-order solvers, the sample quality with less than 10 NFE can still be improved. In this paper, we propose a unified sampling framework (USF) to study the optional strategies for solver. Under this framework, we further reveal that taking different solving strategies at different timesteps may help further decrease the truncation error, and a carefully designed solver schedule has the potential to improve the sample quality by a large margin. Therefore, we propose a new sampling framework based on the exponential integral formulation that allows free choices of solver strategy at each step and design specific decisions for the framework. Moreover, we propose S^3, a predictor-based search method that automatically optimizes the solver schedule to get a better time-quality trade-off of sampling. We demonstrate that S^3 can find outstanding solver schedules which outperform the state-of-the-art sampling methods on CIFAR-10, CelebA, ImageNet, and LSUN-Bedroom datasets. Specifically, we achieve 2.69 FID with 10 NFE and 6.86 FID with 5 NFE on CIFAR-10 dataset, outperforming the SOTA method significantly. We further apply S^3 to Stable-Diffusion model and get an acceleration ratio of 2times, showing the feasibility of sampling in very few steps without retraining the neural network.

GeoDrive: 3D Geometry-Informed Driving World Model with Precise Action Control

Recent advancements in world models have revolutionized dynamic environment simulation, allowing systems to foresee future states and assess potential actions. In autonomous driving, these capabilities help vehicles anticipate the behavior of other road users, perform risk-aware planning, accelerate training in simulation, and adapt to novel scenarios, thereby enhancing safety and reliability. Current approaches exhibit deficiencies in maintaining robust 3D geometric consistency or accumulating artifacts during occlusion handling, both critical for reliable safety assessment in autonomous navigation tasks. To address this, we introduce GeoDrive, which explicitly integrates robust 3D geometry conditions into driving world models to enhance spatial understanding and action controllability. Specifically, we first extract a 3D representation from the input frame and then obtain its 2D rendering based on the user-specified ego-car trajectory. To enable dynamic modeling, we propose a dynamic editing module during training to enhance the renderings by editing the positions of the vehicles. Extensive experiments demonstrate that our method significantly outperforms existing models in both action accuracy and 3D spatial awareness, leading to more realistic, adaptable, and reliable scene modeling for safer autonomous driving. Additionally, our model can generalize to novel trajectories and offers interactive scene editing capabilities, such as object editing and object trajectory control.

Continual Model-Based Reinforcement Learning with Hypernetworks

Effective planning in model-based reinforcement learning (MBRL) and model-predictive control (MPC) relies on the accuracy of the learned dynamics model. In many instances of MBRL and MPC, this model is assumed to be stationary and is periodically re-trained from scratch on state transition experience collected from the beginning of environment interactions. This implies that the time required to train the dynamics model - and the pause required between plan executions - grows linearly with the size of the collected experience. We argue that this is too slow for lifelong robot learning and propose HyperCRL, a method that continually learns the encountered dynamics in a sequence of tasks using task-conditional hypernetworks. Our method has three main attributes: first, it includes dynamics learning sessions that do not revisit training data from previous tasks, so it only needs to store the most recent fixed-size portion of the state transition experience; second, it uses fixed-capacity hypernetworks to represent non-stationary and task-aware dynamics; third, it outperforms existing continual learning alternatives that rely on fixed-capacity networks, and does competitively with baselines that remember an ever increasing coreset of past experience. We show that HyperCRL is effective in continual model-based reinforcement learning in robot locomotion and manipulation scenarios, such as tasks involving pushing and door opening. Our project website with videos is at this link https://rvl.cs.toronto.edu/blog/2020/hypercrl

Taming Rectified Flow for Inversion and Editing

Rectified-flow-based diffusion transformers, such as FLUX and OpenSora, have demonstrated exceptional performance in the field of image and video generation. Despite their robust generative capabilities, these models often suffer from inaccurate inversion, which could further limit their effectiveness in downstream tasks such as image and video editing. To address this issue, we propose RF-Solver, a novel training-free sampler that enhances inversion precision by reducing errors in the process of solving rectified flow ODEs. Specifically, we derive the exact formulation of the rectified flow ODE and perform a high-order Taylor expansion to estimate its nonlinear components, significantly decreasing the approximation error at each timestep. Building upon RF-Solver, we further design RF-Edit, which comprises specialized sub-modules for image and video editing. By sharing self-attention layer features during the editing process, RF-Edit effectively preserves the structural information of the source image or video while achieving high-quality editing results. Our approach is compatible with any pre-trained rectified-flow-based models for image and video tasks, requiring no additional training or optimization. Extensive experiments on text-to-image generation, image & video inversion, and image & video editing demonstrate the robust performance and adaptability of our methods. Code is available at https://github.com/wangjiangshan0725/RF-Solver-Edit.

Generalized Teacher Forcing for Learning Chaotic Dynamics

Chaotic dynamical systems (DS) are ubiquitous in nature and society. Often we are interested in reconstructing such systems from observed time series for prediction or mechanistic insight, where by reconstruction we mean learning geometrical and invariant temporal properties of the system in question (like attractors). However, training reconstruction algorithms like recurrent neural networks (RNNs) on such systems by gradient-descent based techniques faces severe challenges. This is mainly due to exploding gradients caused by the exponential divergence of trajectories in chaotic systems. Moreover, for (scientific) interpretability we wish to have as low dimensional reconstructions as possible, preferably in a model which is mathematically tractable. Here we report that a surprisingly simple modification of teacher forcing leads to provably strictly all-time bounded gradients in training on chaotic systems, and, when paired with a simple architectural rearrangement of a tractable RNN design, piecewise-linear RNNs (PLRNNs), allows for faithful reconstruction in spaces of at most the dimensionality of the observed system. We show on several DS that with these amendments we can reconstruct DS better than current SOTA algorithms, in much lower dimensions. Performance differences were particularly compelling on real world data with which most other methods severely struggled. This work thus led to a simple yet powerful DS reconstruction algorithm which is highly interpretable at the same time.

Multi-Fidelity Reinforcement Learning for Time-Optimal Quadrotor Re-planning

High-speed online trajectory planning for UAVs poses a significant challenge due to the need for precise modeling of complex dynamics while also being constrained by computational limitations. This paper presents a multi-fidelity reinforcement learning method (MFRL) that aims to effectively create a realistic dynamics model and simultaneously train a planning policy that can be readily deployed in real-time applications. The proposed method involves the co-training of a planning policy and a reward estimator; the latter predicts the performance of the policy's output and is trained efficiently through multi-fidelity Bayesian optimization. This optimization approach models the correlation between different fidelity levels, thereby constructing a high-fidelity model based on a low-fidelity foundation, which enables the accurate development of the reward model with limited high-fidelity experiments. The framework is further extended to include real-world flight experiments in reinforcement learning training, allowing the reward model to precisely reflect real-world constraints and broadening the policy's applicability to real-world scenarios. We present rigorous evaluations by training and testing the planning policy in both simulated and real-world environments. The resulting trained policy not only generates faster and more reliable trajectories compared to the baseline snap minimization method, but it also achieves trajectory updates in 2 ms on average, while the baseline method takes several minutes.

HPNet: Dynamic Trajectory Forecasting with Historical Prediction Attention

Predicting the trajectories of road agents is essential for autonomous driving systems. The recent mainstream methods follow a static paradigm, which predicts the future trajectory by using a fixed duration of historical frames. These methods make the predictions independently even at adjacent time steps, which leads to potential instability and temporal inconsistency. As successive time steps have largely overlapping historical frames, their forecasting should have intrinsic correlation, such as overlapping predicted trajectories should be consistent, or be different but share the same motion goal depending on the road situation. Motivated by this, in this work, we introduce HPNet, a novel dynamic trajectory forecasting method. Aiming for stable and accurate trajectory forecasting, our method leverages not only historical frames including maps and agent states, but also historical predictions. Specifically, we newly design a Historical Prediction Attention module to automatically encode the dynamic relationship between successive predictions. Besides, it also extends the attention range beyond the currently visible window benefitting from the use of historical predictions. The proposed Historical Prediction Attention together with the Agent Attention and Mode Attention is further formulated as the Triple Factorized Attention module, serving as the core design of HPNet.Experiments on the Argoverse and INTERACTION datasets show that HPNet achieves state-of-the-art performance, and generates accurate and stable future trajectories. Our code are available at https://github.com/XiaolongTang23/HPNet.

Semi-Supervised Offline Reinforcement Learning with Action-Free Trajectories

Natural agents can effectively learn from multiple data sources that differ in size, quality, and types of measurements. We study this heterogeneity in the context of offline reinforcement learning (RL) by introducing a new, practically motivated semi-supervised setting. Here, an agent has access to two sets of trajectories: labelled trajectories containing state, action and reward triplets at every timestep, along with unlabelled trajectories that contain only state and reward information. For this setting, we develop and study a simple meta-algorithmic pipeline that learns an inverse dynamics model on the labelled data to obtain proxy-labels for the unlabelled data, followed by the use of any offline RL algorithm on the true and proxy-labelled trajectories. Empirically, we find this simple pipeline to be highly successful -- on several D4RL benchmarks~fu2020d4rl, certain offline RL algorithms can match the performance of variants trained on a fully labelled dataset even when we label only 10\% of trajectories which are highly suboptimal. To strengthen our understanding, we perform a large-scale controlled empirical study investigating the interplay of data-centric properties of the labelled and unlabelled datasets, with algorithmic design choices (e.g., choice of inverse dynamics, offline RL algorithm) to identify general trends and best practices for training RL agents on semi-supervised offline datasets.

Reward-Consistent Dynamics Models are Strongly Generalizable for Offline Reinforcement Learning

Learning a precise dynamics model can be crucial for offline reinforcement learning, which, unfortunately, has been found to be quite challenging. Dynamics models that are learned by fitting historical transitions often struggle to generalize to unseen transitions. In this study, we identify a hidden but pivotal factor termed dynamics reward that remains consistent across transitions, offering a pathway to better generalization. Therefore, we propose the idea of reward-consistent dynamics models: any trajectory generated by the dynamics model should maximize the dynamics reward derived from the data. We implement this idea as the MOREC (Model-based Offline reinforcement learning with Reward Consistency) method, which can be seamlessly integrated into previous offline model-based reinforcement learning (MBRL) methods. MOREC learns a generalizable dynamics reward function from offline data, which is subsequently employed as a transition filter in any offline MBRL method: when generating transitions, the dynamics model generates a batch of transitions and selects the one with the highest dynamics reward value. On a synthetic task, we visualize that MOREC has a strong generalization ability and can surprisingly recover some distant unseen transitions. On 21 offline tasks in D4RL and NeoRL benchmarks, MOREC improves the previous state-of-the-art performance by a significant margin, i.e., 4.6% on D4RL tasks and 25.9% on NeoRL tasks. Notably, MOREC is the first method that can achieve above 95% online RL performance in 6 out of 12 D4RL tasks and 3 out of 9 NeoRL tasks.

DRoPE: Directional Rotary Position Embedding for Efficient Agent Interaction Modeling

Accurate and efficient modeling of agent interactions is essential for trajectory generation, the core of autonomous driving systems. Existing methods, scene-centric, agent-centric, and query-centric frameworks, each present distinct advantages and drawbacks, creating an impossible triangle among accuracy, computational time, and memory efficiency. To break this limitation, we propose Directional Rotary Position Embedding (DRoPE), a novel adaptation of Rotary Position Embedding (RoPE), originally developed in natural language processing. Unlike traditional relative position embedding (RPE), which introduces significant space complexity, RoPE efficiently encodes relative positions without explicitly increasing complexity but faces inherent limitations in handling angular information due to periodicity. DRoPE overcomes this limitation by introducing a uniform identity scalar into RoPE's 2D rotary transformation, aligning rotation angles with realistic agent headings to naturally encode relative angular information. We theoretically analyze DRoPE's correctness and efficiency, demonstrating its capability to simultaneously optimize trajectory generation accuracy, time complexity, and space complexity. Empirical evaluations compared with various state-of-the-art trajectory generation models, confirm DRoPE's good performance and significantly reduced space complexity, indicating both theoretical soundness and practical effectiveness. The video documentation is available at https://drope-traj.github.io/.

On-Policy Policy Gradient Reinforcement Learning Without On-Policy Sampling

On-policy reinforcement learning (RL) algorithms perform policy updates using i.i.d. trajectories collected by the current policy. However, after observing only a finite number of trajectories, on-policy sampling may produce data that fails to match the expected on-policy data distribution. This sampling error leads to noisy updates and data inefficient on-policy learning. Recent work in the policy evaluation setting has shown that non-i.i.d., off-policy sampling can produce data with lower sampling error than on-policy sampling can produce. Motivated by this observation, we introduce an adaptive, off-policy sampling method to improve the data efficiency of on-policy policy gradient algorithms. Our method, Proximal Robust On-Policy Sampling (PROPS), reduces sampling error by collecting data with a behavior policy that increases the probability of sampling actions that are under-sampled with respect to the current policy. Rather than discarding data from old policies -- as is commonly done in on-policy algorithms -- PROPS uses data collection to adjust the distribution of previously collected data to be approximately on-policy. We empirically evaluate PROPS on both continuous-action MuJoCo benchmark tasks as well as discrete-action tasks and demonstrate that (1) PROPS decreases sampling error throughout training and (2) improves the data efficiency of on-policy policy gradient algorithms. Our work improves the RL community's understanding of a nuance in the on-policy vs off-policy dichotomy: on-policy learning requires on-policy data, not on-policy sampling.

Stochastic Policy Gradient Methods: Improved Sample Complexity for Fisher-non-degenerate Policies

Recently, the impressive empirical success of policy gradient (PG) methods has catalyzed the development of their theoretical foundations. Despite the huge efforts directed at the design of efficient stochastic PG-type algorithms, the understanding of their convergence to a globally optimal policy is still limited. In this work, we develop improved global convergence guarantees for a general class of Fisher-non-degenerate parameterized policies which allows to address the case of continuous state action spaces. First, we propose a Normalized Policy Gradient method with Implicit Gradient Transport (N-PG-IGT) and derive a mathcal{O}(varepsilon^{-2.5}) sample complexity of this method for finding a global varepsilon-optimal policy. Improving over the previously known mathcal{O}(varepsilon^{-3}) complexity, this algorithm does not require the use of importance sampling or second-order information and samples only one trajectory per iteration. Second, we further improve this complexity to mathcal{mathcal{O} }(varepsilon^{-2}) by considering a Hessian-Aided Recursive Policy Gradient ((N)-HARPG) algorithm enhanced with a correction based on a Hessian-vector product. Interestingly, both algorithms are (i) simple and easy to implement: single-loop, do not require large batches of trajectories and sample at most two trajectories per iteration; (ii) computationally and memory efficient: they do not require expensive subroutines at each iteration and can be implemented with memory linear in the dimension of parameters.

FürElise: Capturing and Physically Synthesizing Hand Motions of Piano Performance

Piano playing requires agile, precise, and coordinated hand control that stretches the limits of dexterity. Hand motion models with the sophistication to accurately recreate piano playing have a wide range of applications in character animation, embodied AI, biomechanics, and VR/AR. In this paper, we construct a first-of-its-kind large-scale dataset that contains approximately 10 hours of 3D hand motion and audio from 15 elite-level pianists playing 153 pieces of classical music. To capture natural performances, we designed a markerless setup in which motions are reconstructed from multi-view videos using state-of-the-art pose estimation models. The motion data is further refined via inverse kinematics using the high-resolution MIDI key-pressing data obtained from sensors in a specialized Yamaha Disklavier piano. Leveraging the collected dataset, we developed a pipeline that can synthesize physically-plausible hand motions for musical scores outside of the dataset. Our approach employs a combination of imitation learning and reinforcement learning to obtain policies for physics-based bimanual control involving the interaction between hands and piano keys. To solve the sampling efficiency problem with the large motion dataset, we use a diffusion model to generate natural reference motions, which provide high-level trajectory and fingering (finger order and placement) information. However, the generated reference motion alone does not provide sufficient accuracy for piano performance modeling. We then further augmented the data by using musical similarity to retrieve similar motions from the captured dataset to boost the precision of the RL policy. With the proposed method, our model generates natural, dexterous motions that generalize to music from outside the training dataset.

Geometric Trajectory Diffusion Models

Generative models have shown great promise in generating 3D geometric systems, which is a fundamental problem in many natural science domains such as molecule and protein design. However, existing approaches only operate on static structures, neglecting the fact that physical systems are always dynamic in nature. In this work, we propose geometric trajectory diffusion models (GeoTDM), the first diffusion model for modeling the temporal distribution of 3D geometric trajectories. Modeling such distribution is challenging as it requires capturing both the complex spatial interactions with physical symmetries and temporal correspondence encapsulated in the dynamics. We theoretically justify that diffusion models with equivariant temporal kernels can lead to density with desired symmetry, and develop a novel transition kernel leveraging SE(3)-equivariant spatial convolution and temporal attention. Furthermore, to induce an expressive trajectory distribution for conditional generation, we introduce a generalized learnable geometric prior into the forward diffusion process to enhance temporal conditioning. We conduct extensive experiments on both unconditional and conditional generation in various scenarios, including physical simulation, molecular dynamics, and pedestrian motion. Empirical results on a wide suite of metrics demonstrate that GeoTDM can generate realistic geometric trajectories with significantly higher quality.

Score-Based Generative Modeling through Stochastic Differential Equations

Creating noise from data is easy; creating data from noise is generative modeling. We present a stochastic differential equation (SDE) that smoothly transforms a complex data distribution to a known prior distribution by slowly injecting noise, and a corresponding reverse-time SDE that transforms the prior distribution back into the data distribution by slowly removing the noise. Crucially, the reverse-time SDE depends only on the time-dependent gradient field (\aka, score) of the perturbed data distribution. By leveraging advances in score-based generative modeling, we can accurately estimate these scores with neural networks, and use numerical SDE solvers to generate samples. We show that this framework encapsulates previous approaches in score-based generative modeling and diffusion probabilistic modeling, allowing for new sampling procedures and new modeling capabilities. In particular, we introduce a predictor-corrector framework to correct errors in the evolution of the discretized reverse-time SDE. We also derive an equivalent neural ODE that samples from the same distribution as the SDE, but additionally enables exact likelihood computation, and improved sampling efficiency. In addition, we provide a new way to solve inverse problems with score-based models, as demonstrated with experiments on class-conditional generation, image inpainting, and colorization. Combined with multiple architectural improvements, we achieve record-breaking performance for unconditional image generation on CIFAR-10 with an Inception score of 9.89 and FID of 2.20, a competitive likelihood of 2.99 bits/dim, and demonstrate high fidelity generation of 1024 x 1024 images for the first time from a score-based generative model.

Denoising MCMC for Accelerating Diffusion-Based Generative Models

Diffusion models are powerful generative models that simulate the reverse of diffusion processes using score functions to synthesize data from noise. The sampling process of diffusion models can be interpreted as solving the reverse stochastic differential equation (SDE) or the ordinary differential equation (ODE) of the diffusion process, which often requires up to thousands of discretization steps to generate a single image. This has sparked a great interest in developing efficient integration techniques for reverse-S/ODEs. Here, we propose an orthogonal approach to accelerating score-based sampling: Denoising MCMC (DMCMC). DMCMC first uses MCMC to produce samples in the product space of data and variance (or diffusion time). Then, a reverse-S/ODE integrator is used to denoise the MCMC samples. Since MCMC traverses close to the data manifold, the computation cost of producing a clean sample for DMCMC is much less than that of producing a clean sample from noise. To verify the proposed concept, we show that Denoising Langevin Gibbs (DLG), an instance of DMCMC, successfully accelerates all six reverse-S/ODE integrators considered in this work on the tasks of CIFAR10 and CelebA-HQ-256 image generation. Notably, combined with integrators of Karras et al. (2022) and pre-trained score models of Song et al. (2021b), DLG achieves SOTA results. In the limited number of score function evaluation (NFE) settings on CIFAR10, we have 3.86 FID with approx 10 NFE and 2.63 FID with approx 20 NFE. On CelebA-HQ-256, we have 6.99 FID with approx 160 NFE, which beats the current best record of Kim et al. (2022) among score-based models, 7.16 FID with 4000 NFE. Code: https://github.com/1202kbs/DMCMC

OFTSR: One-Step Flow for Image Super-Resolution with Tunable Fidelity-Realism Trade-offs

Recent advances in diffusion and flow-based generative models have demonstrated remarkable success in image restoration tasks, achieving superior perceptual quality compared to traditional deep learning approaches. However, these methods either require numerous sampling steps to generate high-quality images, resulting in significant computational overhead, or rely on model distillation, which usually imposes a fixed fidelity-realism trade-off and thus lacks flexibility. In this paper, we introduce OFTSR, a novel flow-based framework for one-step image super-resolution that can produce outputs with tunable levels of fidelity and realism. Our approach first trains a conditional flow-based super-resolution model to serve as a teacher model. We then distill this teacher model by applying a specialized constraint. Specifically, we force the predictions from our one-step student model for same input to lie on the same sampling ODE trajectory of the teacher model. This alignment ensures that the student model's single-step predictions from initial states match the teacher's predictions from a closer intermediate state. Through extensive experiments on challenging datasets including FFHQ (256times256), DIV2K, and ImageNet (256times256), we demonstrate that OFTSR achieves state-of-the-art performance for one-step image super-resolution, while having the ability to flexibly tune the fidelity-realism trade-off. Code and pre-trained models are available at https://github.com/yuanzhi-zhu/OFTSR and https://huggingface.co/Yuanzhi/OFTSR, respectively.

SingularTrajectory: Universal Trajectory Predictor Using Diffusion Model

There are five types of trajectory prediction tasks: deterministic, stochastic, domain adaptation, momentary observation, and few-shot. These associated tasks are defined by various factors, such as the length of input paths, data split and pre-processing methods. Interestingly, even though they commonly take sequential coordinates of observations as input and infer future paths in the same coordinates as output, designing specialized architectures for each task is still necessary. For the other task, generality issues can lead to sub-optimal performances. In this paper, we propose SingularTrajectory, a diffusion-based universal trajectory prediction framework to reduce the performance gap across the five tasks. The core of SingularTrajectory is to unify a variety of human dynamics representations on the associated tasks. To do this, we first build a Singular space to project all types of motion patterns from each task into one embedding space. We next propose an adaptive anchor working in the Singular space. Unlike traditional fixed anchor methods that sometimes yield unacceptable paths, our adaptive anchor enables correct anchors, which are put into a wrong location, based on a traversability map. Finally, we adopt a diffusion-based predictor to further enhance the prototype paths using a cascaded denoising process. Our unified framework ensures the generality across various benchmark settings such as input modality, and trajectory lengths. Extensive experiments on five public benchmarks demonstrate that SingularTrajectory substantially outperforms existing models, highlighting its effectiveness in estimating general dynamics of human movements. Code is publicly available at https://github.com/inhwanbae/SingularTrajectory .

SkillMimic-V2: Learning Robust and Generalizable Interaction Skills from Sparse and Noisy Demonstrations

We address a fundamental challenge in Reinforcement Learning from Interaction Demonstration (RLID): demonstration noise and coverage limitations. While existing data collection approaches provide valuable interaction demonstrations, they often yield sparse, disconnected, and noisy trajectories that fail to capture the full spectrum of possible skill variations and transitions. Our key insight is that despite noisy and sparse demonstrations, there exist infinite physically feasible trajectories that naturally bridge between demonstrated skills or emerge from their neighboring states, forming a continuous space of possible skill variations and transitions. Building upon this insight, we present two data augmentation techniques: a Stitched Trajectory Graph (STG) that discovers potential transitions between demonstration skills, and a State Transition Field (STF) that establishes unique connections for arbitrary states within the demonstration neighborhood. To enable effective RLID with augmented data, we develop an Adaptive Trajectory Sampling (ATS) strategy for dynamic curriculum generation and a historical encoding mechanism for memory-dependent skill learning. Our approach enables robust skill acquisition that significantly generalizes beyond the reference demonstrations. Extensive experiments across diverse interaction tasks demonstrate substantial improvements over state-of-the-art methods in terms of convergence stability, generalization capability, and recovery robustness.

Model scale versus domain knowledge in statistical forecasting of chaotic systems

Chaos and unpredictability are traditionally synonymous, yet large-scale machine learning methods recently have demonstrated a surprising ability to forecast chaotic systems well beyond typical predictability horizons. However, recent works disagree on whether specialized methods grounded in dynamical systems theory, such as reservoir computers or neural ordinary differential equations, outperform general-purpose large-scale learning methods such as transformers or recurrent neural networks. These prior studies perform comparisons on few individually-chosen chaotic systems, thereby precluding robust quantification of how statistical modeling choices and dynamical invariants of different chaotic systems jointly determine empirical predictability. Here, we perform the largest to-date comparative study of forecasting methods on the classical problem of forecasting chaos: we benchmark 24 state-of-the-art forecasting methods on a crowdsourced database of 135 low-dimensional systems with 17 forecast metrics. We find that large-scale, domain-agnostic forecasting methods consistently produce predictions that remain accurate up to two dozen Lyapunov times, thereby accessing a new long-horizon forecasting regime well beyond classical methods. We find that, in this regime, accuracy decorrelates with classical invariant measures of predictability like the Lyapunov exponent. However, in data-limited settings outside the long-horizon regime, we find that physics-based hybrid methods retain a comparative advantage due to their strong inductive biases.

Limits and Powers of Koopman Learning

Dynamical systems provide a comprehensive way to study complex and changing behaviors across various sciences. Many modern systems are too complicated to analyze directly or we do not have access to models, driving significant interest in learning methods. Koopman operators have emerged as a dominant approach because they allow the study of nonlinear dynamics using linear techniques by solving an infinite-dimensional spectral problem. However, current algorithms face challenges such as lack of convergence, hindering practical progress. This paper addresses a fundamental open question: When can we robustly learn the spectral properties of Koopman operators from trajectory data of dynamical systems, and when can we not? Understanding these boundaries is crucial for analysis, applications, and designing algorithms. We establish a foundational approach that combines computational analysis and ergodic theory, revealing the first fundamental barriers -- universal for any algorithm -- associated with system geometry and complexity, regardless of data quality and quantity. For instance, we demonstrate well-behaved smooth dynamical systems on tori where non-trivial eigenfunctions of the Koopman operator cannot be determined by any sequence of (even randomized) algorithms, even with unlimited training data. Additionally, we identify when learning is possible and introduce optimal algorithms with verification that overcome issues in standard methods. These results pave the way for a sharp classification theory of data-driven dynamical systems based on how many limits are needed to solve a problem. These limits characterize all previous methods, presenting a unified view. Our framework systematically determines when and how Koopman spectral properties can be learned.

Case Studies for Computing Density of Reachable States for Safe Autonomous Motion Planning

Density of the reachable states can help understand the risk of safety-critical systems, especially in situations when worst-case reachability is too conservative. Recent work provides a data-driven approach to compute the density distribution of autonomous systems' forward reachable states online. In this paper, we study the use of such approach in combination with model predictive control for verifiable safe path planning under uncertainties. We first use the learned density distribution to compute the risk of collision online. If such risk exceeds the acceptable threshold, our method will plan for a new path around the previous trajectory, with the risk of collision below the threshold. Our method is well-suited to handle systems with uncertainties and complicated dynamics as our data-driven approach does not need an analytical form of the systems' dynamics and can estimate forward state density with an arbitrary initial distribution of uncertainties. We design two challenging scenarios (autonomous driving and hovercraft control) for safe motion planning in environments with obstacles under system uncertainties. We first show that our density estimation approach can reach a similar accuracy as the Monte-Carlo-based method while using only 0.01X training samples. By leveraging the estimated risk, our algorithm achieves the highest success rate in goal reaching when enforcing the safety rate above 0.99.