10 papers
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…
Knowledge-Augmented Long-CoT Generation for Complex Biomolecular Reasoning
Tianwen Lyu, Xiang Zhuang, Keyan Ding +5
Understanding complex biomolecular mechanisms requires multi-step reasoning across molecular interactions, signaling cascades, and metabolic pathways. While large language models(L…
Breaking the Modality Barrier: Generative Modeling for Accurate Molecule Retrieval from Mass Spectra
Yiwen Zhang, Keyan Ding, Yihang Wu +4
Retrieving molecular structures from tandem mass spectra is a crucial step in rapid compound identification. Existing retrieval methods, such as traditional mass spectral library m…
SciToolAgent: A Knowledge Graph-Driven Scientific Agent for Multi-Tool Integration
Keyan Ding, Jing Yu, Junjie Huang +3
Scientific research increasingly relies on specialized computational tools, yet effectively utilizing these tools demands substantial domain expertise. While Large Language Models…
Advancing biomolecular understanding and design following human instructions
Xiang Zhuang, Keyan Ding, Tianwen Lyu +9
Understanding and designing biomolecules, such as proteins and small molecules, is central to advancing drug discovery, synthetic biology and enzyme engineering. Recent breakthroug…
Enhancing Safe and Controllable Protein Generation via Knowledge Preference Optimization
Yuhao Wang, Keyan Ding, Kehua Feng +5
Protein language models have emerged as powerful tools for sequence generation, offering substantial advantages in functional optimization and denovo design. However, these models…