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Yanyan Xu

2 accepted papers

2025

ChemActor: Enhancing Automated Extraction of Chemical Synthesis Actions with LLM-Generated Data

ACL 2025long

With the increasing interest in robotic synthesis in the context of organic chemistry, the automated extraction of chemical procedures from literature is critical. However, this task remains challenging due to the inherent ambiguity of chemical language and the high cost of human annotation required…

2025

KinFormer: Generalizable Dynamical Symbolic Regression for Catalytic Organic Reaction Kinetics

ICLR 2025poster

Modeling kinetic equations is essential for understanding the mechanisms of chemical reactions, yet a complex and time-consuming task. Kinetic equation prediction is formulated as a problem of dynamical symbolic regression (DSR) subject to physical chemistry constraints. Deep learning (DL) holds th…

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