Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Retrosynthetic Planning with Experience-Guided Monte Carlo Tree Search   Retrosynthetic planning problem is to analyze a complex molecule and give a
synthetic route using simple building blocks. The huge number of chemical
reactions leads to a combinatorial explosion of possibilities, and even the
experienced chemists could not select the most promising transformations. The
current approaches rely on human-defined or machine-trained score functions
which have limited chemical knowledge or use expensive estimation methods such
as rollout to guide the search. In this paper, we propose {\tt MCTS}, a novel
MCTS-based retrosynthetic planning approach, to deal with retrosynthetic
planning problem. Instead of exploiting rollout, we build an Experience
Guidance Network to learn knowledge from synthetic experiences during the
search. Experiments on benchmark USPTO datasets show that, our {\tt MCTS} gains
significant improvement over state-of-the-art approaches both in efficiency and
effectiveness.

22
The categories of this paper are: chao-dyn
20
The categories of this paper are: acc-phys
10
The categories of this paper are: q-bio
21
The categories of this paper are: adap-org
11
The categories of this paper are: hep-lat
35
The categories of this paper are: mtrl-th
19
The categories of this paper are: eess
23
The categories of this paper are: solv-int
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The categories of this paper are: stat
14
The categories of this paper are: math-ph
31
The categories of this paper are: ao-sci
9
The categories of this paper are: nlin
6
The categories of this paper are: astro-ph
18
The categories of this paper are: econ
3
The categories of this paper are: physics
5
The categories of this paper are: gr-qc