3 citations · 8 across the 12 of their papers we have counts for
5 papers · 1 filter
AgentFold: Closed-Loop Agentic Search for Protein Folding Model Design
Mingquan Liu, Jiangyu Chen, Hanqun Cao +9
Scientific LLM agents have shown promise in literature reasoning, tool use, and experiment planning, but it remains unclear whether they can autonomously improve large, tightly cou…
OmniMatBench: A Human-Calibrated Multimodal Reasoning Benchmark Across 19 Materials Science Subfields
Wanhao Liu, Jiaqing Xie, Qian Tan +10
As multimodal language models play an increasingly important role in scientific research, materials science offers a critical testbed due to its interdisciplinary, multimodal, and…
MolAct: An Agentic RL Framework for Molecular Editing and Property Optimization
Zhuo Yang, Yeyun Chen, Jiaqing Xie +7
Molecular editing and optimization are multi-step problems that require iteratively improving properties while keeping molecules chemically valid and structurally similar. We frame…
QCBench: Evaluating Large Language Models on Domain-Specific Quantitative Chemistry
Jiaqing Xie, Weida Wang, Ben Gao +5
Quantitative chemistry is central to modern chemical research, yet the ability of large language models (LLMs) to perform its rigorous, step-by-step calculations remains underexplo…
Reasoning BO: Enhancing Bayesian Optimization with Long-Context Reasoning Power of LLMs
Zhuo Yang, Daolang Wang, Lingli Ge +3
Many real-world scientific and industrial applications require the optimization of expensive black-box functions. Bayesian Optimization (BO) provides an effective framework for suc…