Author

Lingli Ge

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#natural language process... Preprint Sep 2026

DianShi-RxnDB: A Large-Scale, Fine-Grained Organic Reaction Data Platform Built via a Fully Automated Pipeline for Researchers and AI Agents

High-quality structured organic reaction data are essential for developing artificial intelligence for chemistry (AI4Chem), yet much of this knowledge remains dispersed across patent text, images, and reaction schemes. We present DianShi-RxnDB, a large-scale, fine-grained organic reaction data platform built via a full...

Yu-Bin Wang, Xing-Jian Wei, Jiang Wu et al. · 0 citations

Open access Aug 2026

Reasoning BO: Enhancing Bayesian Optimization With the Reasoning Power of LLMs

Reasoning BO is introduced, a novel framework leveraging reasoning models to guide BO sampling while incorporating multi‐agent systems and knowledge graphs for online knowledge accumulation, and it is demonstrated that smaller LLMs, after post‐training, can achieve performance comparable to larger counterparts.

Zhuo Yang, Daolang Wang, Lingli Ge et al. · Materials Genome Engineering... · 0 citations