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cs.LG2026
Learning Mechanistic Reasoning for Chemical Reactions with Large Language Models
Xingyu Dang, Haocheng Tang, Junmei Wang +1
The paper introduces a large-scale dataset and a benchmark (FukuyamaBench) for teaching large language models to reason step‑by‑step about chemical reaction mechanisms, and shows t…
cs.LG2025
Auxiliary Discrminator Sequence Generative Adversarial Networks (ADSeqGAN) for Few Sample Molecule Generation
Haocheng Tang, Jing Long, Beihong Ji +1
In this work, we introduce Auxiliary Discriminator Sequence Generative Adversarial Networks (ADSeqGAN), a novel approach for molecular generation in small-sample datasets. Traditio…