Publications

Yifei Wang, Nupur Bansal, Shiyun Wa, Simone Sciabola, Ye Wang (2026). Machine Learning-Aided Small-Molecule Virtual Screening: Recent Advances and Future Perspectives. WIREs Comput Mol Sci.

Shiyun Wa, Yifei Wang, Anna G. Green, Simone Sciabola, Ye Wang (2026). Elite-Weighted Supervised Fine-tuning for Goal-Directed Molecular Optimization. arXiv.

Xinsong Du, Anna Nagy, Michael F Oates, Yifei Wang, Xinyi Wang, Joseph M Plasek, Samuel J Aronson, Matthew S Lebo, Li Zhou (2026). Precision Grounding: Augmenting Large Language Models with Evidence-Based Databases for Trustworthy Genetic Variant Summarization. IJMI.

Shiyun Wa, Yifei Wang, Simone Sciabola, Ye Wang (2026). Advancing Ligand-based Virtual Screening and Molecular Generation with Pretrained Molecular Embedding Distance. ICML 2026 Workshop.

Yiming Li, Joseph M Plasek, Xinsong Du, Yifei Wang, Zhengyang Zhou, John Lian, Ya-Wen Chuang, Pengyu Hong, Peter C Hou, Li Zhou (2026). Interactive active learning for literature screening: finetuning GPT with DeepSeek reasoning for cross-domain generalization. JAMIA.

Xinsong Du, Zhengyang Zhou, Yifei Wang, Ya-Wen Chuang, Yiming Li, Richard Yang, Wenyu Zhang, Xinyi Wang, Xinyu Chen, Hao Guan, John Lian, Pengyu Hong, David W. Bates, Li Zhou (2026). Testing and evaluation of generative large language models in electronic health record applications: a systematic review. JAMIA.

Yiming Li, Xinsong Du, Yifei Wang, Xinyu Chen, Zhengyang Zhou, John Lian, Ya-Wen Chuang, Pengyu Hong, Peter C. Hou, Li Zhou (2025). AI-assisted literature screening: A hybrid approach using large language models and retrieval-augmented generation. IJMEDI.

Xinsong Du, Zhengyang Zhou, Yifei Wang, Ya-Wen Chuang, Yiming Li, Richard Yang, Pengyu Hong, David W. Bates, Li Zhou (2025). Performance and improvement strategies for adapting generative large language models for electronic health record applications: A systematic review. IJMEDI.

Yifei Wang, Yunrui Li, Lin Liu, Pengyu Hong, Hao Xu (2025). Advancing Drug Discovery with Enhanced Chemical Understanding via Asymmetric Contrastive Multimodal Learning. JCIM.

Yifei Wang (2025). Human-Knowledge Integrated Methods for Learning With Small-Data Challenges. Ph.D. Dissertation.