24 papers
SciToolAgent-Evo: An Ontology-Aware Self-Evolving Agent for Open-World Scientific Tool Acquisition
Yuqi Tang, Chenyi Zhou, Libin Wang +3
Large language model (LLM) agents have been increasingly adopted in scientific research for organizing and invoking specialized computational tools. However, their reliance on pred…
MolSafeEval: A Benchmark for Uncovering Safety Risks in AI-Generated Molecules
Tong Xu, Xinzhe Cao, Zhihui Zhu +2
Current molecular generation benchmarks emphasize task complexity, molecule novelty, and property alignment; they largely overlook a critical concern: the potential safety risks of…
InnoEval: On Research Idea Evaluation as a Knowledge-Grounded, Multi-Perspective Reasoning Problem
Shuofei Qiao, Yunxiang Wei, Xuehai Wang +10
The rapid evolution of Large Language Models has catalyzed a surge in scientific idea production, yet this leap has not been accompanied by a matching advance in idea evaluation. T…
TIGER: Text-Informed Generalized Enzyme-Reaction Retrieval
Yuhang Zhang, Keyan Ding, Peilin Chen +5
Enzyme-reaction retrieval is a fundamental problem in computational biology, underpinning enzyme characterization, reaction mechanism elucidation, and the rational design of metabo…
SciAtlas: A Large-Scale Knowledge Graph for Automated Scientific Research
Shuofei Qiao, Yunxiang Wei, Jiazheng Fan +8
The exponential growth of global academic output has confronted researchers and AI agents with an unprecedented ``information explosion,'' where fragmented and unstructured knowled…
ChemVA: Advancing Large Language Models on Chemical Reaction Diagrams Understanding
Mingyang Rao, Kehua Feng, Zhihui Zhu +4
While Large Language Models (LLMs) have revolutionized scientific text processing, they exhibit a significant capability gap when interpreting chemical reaction diagrams. We identi…