3 papers
cs.AI2026
ReactBench: A Benchmark for Topological Reasoning in MLLMs on Chemical Reaction Diagrams
Qiang Xu, Shengyuan Bai, Yu Wang +6
Multimodal Large Language Models (MLLMs) excel at recognizing individual visual elements and reasoning over simple linear diagrams. However, when faced with complex topological str…
cs.AI2026
Mozi: Governed Autonomy for Drug Discovery LLM Agents
He Cao, Siyu Liu, Fan Zhang +7
Tool-augmented large language model (LLM) agents promise to unify scientific reasoning with computation, yet their deployment in high-stakes domains like drug discovery is bottlene…
cs.AI2025
ChemLabs on ChemO: A Multi-Agent System for Multimodal Reasoning on IChO 2025
Qiang Xu, Shengyuan Bai, Leqing Chen +2
Olympiad-level benchmarks in mathematics and physics are crucial testbeds for advanced AI reasoning, but chemistry, with its unique multimodal symbolic language, has remained an op…