Hao Xu

Investigator, Brigham and Women's Hospital • Instructor in Medicine, Harvard Medical School

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Courage is the grace under pressure.

Dr. Hao Xu is currently an Investigator at Brigham and Women’s Hospital and Instructor in Medicine at Harvard Medical School. His research lies at the intersection of artificial intelligence and biomedical science, focusing on building data-efficient and interpretable AI systems to advance drug discovery and healthcare.

Research interests include:

  • AI for Science
  • AI for Healthcare
  • Quantum Computing for Scientific Discovery
  • Large Language Model Reasoning
  • Vision Understanding and Generation

Academic Service

Reviewer for Journals (JCR Q1): Scientific Reports, JCIM, ACM TIST, JMIR, Sustainable Food Technology, IEEE TMI, IEEE TPAMI, J. Cheminform., KBS, Nature Comms, Patterns, Quantum Science and Technology

Reviewer for Conferences: ACM MM, COLM, NeurIPS, CVPR, COLING, ECCV

selected publications

  1. bioRxiv
    ExplainBind: Explainable Physicochemical Determinants of Protein-Ligand Binding via Non-Covalent Interactions
    Z. Meng†, Z. Bai†, K. Yuan, J. Song, Y. Zhang, J. H. Cheah, W. Jiang, A. Skepner, K. J. Leahy, I. Ounis, W. M. Oldham*, Z. Meng*, Hao Xu*, and J. Loscalzo
    bioRxiv, 2026
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  2. Genome Biol.
    EvoRMD: Integrating Biological Context and Evolutionary RNA Language Models for Interpretable Prediction of RNA Modifications
    B. Wang, H. Zhang, T. Cui, X. Wang, J. Song*, and Hao Xu*
    Genome Biology, 2026
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  3. ACL
    Not All Directions Matter: Toward Structured and Task-Aware Low-Rank Adaptation
    X. Xiao, C. Ma, Y. Zhang, C. Liu, Z. Wang, Y. Li, L. Zhao, G. Hu, T. Wang, and Hao Xu
    In Association for Computational Linguistics (ACL), 2026
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  4. JCIM
    Advancing Drug Discovery with Enhanced Chemical Understanding via Asymmetric Contrastive Multimodal Learning
    Yifei Wang†, Yunrui Li†, Lin Liu, Pengyu Hong, and Hao Xu*
    Journal of Chemical Information and Modeling, 2025
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  5. Chem
    Enantioselective Radical N-Heterobicyclization by New Mode of Asymmetric Induction via Kinetically Stable Chiral Radical Center
    Hao Xu, Duo-Sheng Wang, Zhen-Yu Zhu, Arghya Deb, and X. Peter Zhang*
    Chem, 2024
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