Shikun Feng

Tsinghua University. BEIJING, P.R.China

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My name is Shikun Feng, and I am a fourth-year PhD candidate in the Department of Computer Science at Tsinghua University, under the supervision of Professors Yanyan Lan and Wei-Ying Ma. My research interests lie in AI for Science (AI4Science), with a focus on molecular pre-training, multi-modality alignment, and generative models. Prior to pursuing my PhD, I worked as a senior algorithm engineer at SenseTime.

selected publications

  1. ICML23
    Fractional denoising for 3d molecular pre-training
    Shikun Feng, Yuyan Ni, Yanyan Lan, and 2 more authors
    In International Conference on Machine Learning, 2023
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  2. arXiv
    Unimap: universal smiles-graph representation learning
    Shikun Feng, Lixin Yang, Weiying Ma, and 1 more author
    arXiv preprint arXiv:2310.14216, 2023
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  3. ICLR24
    Protein-ligand binding representation learning from fine-grained interactions
    Shikun Feng, Minghao Li, Yinjun Jia, and 2 more authors
    In The Twelfth International Conference on Learning Representations, 2024
    PDF
  4. ICML24
    UniCorn: A Unified Contrastive Learning Approach for Multi-view Molecular Representation Learning
    Shikun Feng, Yuyan Ni, Minghao Li, and 4 more authors
    In Forty-first International Conference on Machine Learning, 2024
    PDF
  5. Nat Mach Intell
    Pre-training with fractional denoising to enhance molecular property prediction
    Yuyan Ni, Shikun Feng, Xin Hong, and 5 more authors
    Nature Machine Intelligence, 2024
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  6. ICLR24
    Sliced Denoising: A Physics-Informed Molecular Pre-Training Method
    Yuyan Ni, Shikun Feng, Wei-Ying Ma, and 2 more authors
    In The Twelfth International Conference on Learning Representations, 2024
    PDF
  7. ICLR24
    Multimodal Molecular Pretraining via Modality Blending
    Qiying Yu, Yudi Zhang, Yuyan Ni, and 4 more authors
    In The Twelfth International Conference on Learning Representations, 2024
    PDF
  8. arXiv
    MoleculeCLA: Rethinking Molecular Benchmark via Computational Ligand-Target Binding Analysis
    Shikun Feng, Jiaxin Zheng, Yinjun Jia, and 4 more authors
    arXiv preprint arXiv:2406.17797, 2024
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