4 papers
CoT-Core: Accelerating LLM Evaluation via CoT-Aware Coreset Selection
Qihua Pan, Zhenheng Tang, Peijie Dong +4
Evaluating Large Language Models (LLMs) incurs prohibitive computational overhead during continuous development processes. While coreset selection accelerates evaluation, existing…
FROGENT: An End-to-End Full-process Drug Design Multi-Agent System
Qihua Pan, Dong Xu, Qianwei Yang +5
Drug discovery is a complex, multi-step pipeline that remains heavily dependent on manual, experience-driven operations; meanwhile, existing customized artificial intelligence tool…
Unveiling Scaling Behaviors in Molecular Language Models: Effects of Model Size, Data, and Representation
Dong Xu, Qihua Pan, Sisi Yuan +3
Molecular generative models, often employing GPT-style language modeling on molecular string representations, have shown promising capabilities when scaled to large datasets and mo…
Rethinking Drug-Drug Interaction Modeling as Generalizable Relation Learning
Dong Xu, Jiantao Wu, Qihua Pan +3
Drug-drug interaction (DDI) prediction is central to drug discovery and clinical development, particularly in the context of increasingly prevalent polypharmacy. Although existing…