Shaoning Li

I would start my first-year PhD at The Chinese University of Hongkong (CUHK) supervised by Prof. Pheng Ann Heng. Before that, I spent one year at Mila - Québec AI Institute supervised by Prof. Jian Tang. I received my B.S. from Beihang University advised by Prof. Hao Peng. I served as a research intern at Microsoft Research AI4Science supervised by Dr. Bin Shao from Feb 2022 to Jun 2023, and I worked in BioGeometry targetting on de novo antibody design from Jun 2023 to Jun 2024.

Email: shaoningli5190 [at] gmail [dot] com

CV / Github / Google Scholar

Research Topics

I'm interested in AI4Science, typically in de novo protein design, molecular dynamics, machine learning force fields, protein ligand docking, etc. Representative papers are highlighted.

News

[Mar. 2024] New!! One paper was accepted at ICLR 2024 GEM workshop.

Publications

	F3low: Frame-to-Frame Coarse-grained Molecular Dynamics with SE(3) Guided Flow Matching Shaoning Li, Yusong Wang, Mingyu Li, Jian Zhang, Bin Shao, Nanning Zheng, Jian Tang 12th International Conference on Learning Representations* (ICLR 2024 GEM workshop) Coarse-grained protein dynamics; SE(3) Flow matching [Paper]
	Enhancing geometric representations for molecules with equivariant vector-scalar interactive message passing Yusong Wang, Shaoning Li, Xinheng He, Mingyu Li, Zun Wang, Nanning Zheng, Bin Shao, Tie-Yan Liu Nature Communications (NC 2024) Molecular dynamics; Machine learning force fields; Equivariant graph neural networks Editor's Highlights in AI and Bio [Paper] [Code] [Blog]
	Geometric Transformer with Interatomic Positional Encoding Yusong Wang, Shaoning Li, Bin Shao, Nanning Zheng, Tie-Yan Liu 37th Conference on Neural Information Processing Systems (NeurIPS 2023) Molecule representation learning; Transformers; Positional encoding [Paper]
	Reinforced, Incremental and Cross-lingual Event Detection From Social Messages Hao Peng, Ruitong Zhang, Shaoning Li, Yuwei Cao, Shirui Pan, Philip Yu IEEE Transactions on Pattern Analysis and Machine Intelligence (T-PAMI 2022) Social event detection; Graph data mining; Reinforcement learning Highly Cited Paper [Paper]

Competitions

[Aug. 2023] 1st Prize First Global AI Drug Development Competition

[Nov. 2022] 2nd Place OGB-LSC Graph Regression Track @ NeurIPS 2022

[Nov. 2022] 3rd Place Open Catalyst Project @ NeurIPS 2022

[Apr. 2021] 1st Prize National Award on CCF Excellent Chinese University Students

Collaboration

I have close collaboration with Dr. Yusong Wang, Dr. Mingyu Li, Dr. Xinheng He, Dr. Chaoran Cheng, and Dr. Le Zhuo.

Updated at Apr. 2024

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