9 papers
Molecular LLM Agents: From Architectural Design to Scientific Autonomy
Jiatong Li, Wengyu Zhang, Weida Wang +8
Molecular science represents an important frontier for LLM-based agents. Unlike general agents that mainly operate over natural language, code, or web environments, molecular LLM a…
Aligning Clinical Needs and AI Capabilities: A Survey on LLMs for Medical Reasoning
Qi Peng, Jiatong Li, Sirui Huang +10
Large language models (LLMs) have emerged as important tools in healthcare, showing growing potential for clinical reasoning and patient care. This survey examines recent progress…
Do LLMs Truly Generalize in the Molecular Domain? A Perturbation-Based Analysis
Jiatong Li, Weida Wang, Changmeng Zheng +4
Large Language Models (LLMs) have recently shown promise in molecular discovery, yet a gap remains between their probabilistic nature over discrete sequential tokens and the rigid…
Mixture of Debaters: Learn to Debate at Architectural Level in Multi-Agent Reasoning
Dayong Liang, Kaisong Gong, Yi Cai +2
Existing multi-agent debate frameworks suffer from two critical limitations: they rely on static architectures where agent roles and coordination patterns are fixed at design time,…
MolViBench: Evaluating LLMs on Molecular Vibe Coding
Jiatong Li, Yuxuan Ren, Weida Wang +4
Molecular Vibe Coding, a paradigm where chemists interact with LLMs to generate executable programs for molecular tasks, has emerged as a flexible alternative to chemical agents wi…
Hybrid-DMKG: A Hybrid Reasoning Framework over Dynamic Multimodal Knowledge Graphs for Multimodal Multihop QA with Knowledge Editing
Li Yuan, Qingfei Huang, Bingshan Zhu +5
Multimodal Knowledge Editing (MKE) extends traditional knowledge editing to settings involving both textual and visual modalities. However, existing MKE benchmarks primarily assess…