3 citations · 6 across the 6 of their papers we have counts for
Showing cs.LGShow all
3 papers · 1 filter
cs.LG2026
Agentic-MatriBO: Capability-Compiled Agentic Bayesian Optimization for Materials and Chemical Design
Yu Zeng, Yuchuan Chen, Ziyue Zhang +5
Materials and chemical optimization must choose the next synthesis, characterization, or high-fidelity simulation from sequential observations under a limited budget. Large languag…
cs.LG2025
MolReasoner: Toward Effective and Interpretable Reasoning for Molecular LLMs
Guojiang Zhao, Zixiang Lu, Yutang Ge +13
Large Language Models (LLMs) have shown impressive performance across various domains, but their ability to perform molecular reasoning remains underexplored. Existing methods most…
cs.LG2025★ 3 cited
Intelligent System for Automated Molecular Patent Infringement Assessment
Yaorui Shi, Sihang Li, Taiyan Zhang +12
Automated drug discovery offers significant potential for accelerating the development of novel therapeutics by substituting labor-intensive human workflows with machine-driven pro…