Haorui Li

李昊睿

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I am currently a first-year Ph.D. student in Computer Science and Engineering at The Chinese University of Hong Kong (CUHK), advised by Prof. Shengchao Liu.

Previously, I was an undergraduate researcher at the California Institute of Technology (Caltech), where I worked under the supervision of Prof. Anima Anandkumar. I obtained my B.Eng. in Computer Science and B.S. in Chemistry from Huazhong University of Science and Technology (HUST).

My research interests lie in Generative Models, with a focus on AI for Science. My current work centers on 3D geometry-aware generative models for molecules, Transformer-based 3D representation learning, and multimodal foundation models that integrate molecular structures with textual information.

news

Aug 01, 2026 I started my Ph.D. journey at The Chinese University of Hong Kong (CUHK)!
Jun 01, 2025 I am delighted to have graduated from Huazhong University of Science and Technology (HUST).
Jul 15, 2024 I am fortunate to be a research intern at California Institute of Technology (Caltech).

selected publications

  1. Preprint
    InertialAR: Autoregressive 3D Molecule Generation with Inertial Frames
    Haorui Li, Weitao Du, Yuqiang Li, Hongyu Guo, and Shengchao Liu.
    Preprint, 2025
  2. COLM 2025 Workshop
    InertialTransformer: Early Explorations and Insights into Transformer-based Geometric Representation
    Haorui Li, Weitao Du, Hongyu Guo, and Shengchao Liu.
    LLM for Scientific Discovery Workshop, 2nd Conference on Language Modeling (COLM 2025), 2025
  3. NeurIPS 2024 Workshop
    Geometry-text Multi-modal Foundation Model for Reactivity-oriented Molecule Editing
    Haorui Li*, Shengchao Liu*, Hongyu Guo, and Anima Anandkumar.
    AI for New Drug Modalities Workshop, 38th Conference on Neural Information Processing Systems (NeurIPS 2024), 2024

latest posts

Jan 01, 2026 Welcome to my website