CheMatAgent uses hierarchical Monte Carlo tree search with separate policy and execution models, plus trained reward models, to improve tool selection and parameter filling on a new chemistry benchmark, ChemToolBench.
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CheMatAgent: Enhancing LLMs for Chemistry and Materials Science through Tree-Search Based Tool Learning
CheMatAgent uses hierarchical Monte Carlo tree search with separate policy and execution models, plus trained reward models, to improve tool selection and parameter filling on a new chemistry benchmark, ChemToolBench.