Yunyang Li

PhD student, CS Department, Yale University

Joined

January 2023

Names

Yunyang Li (Preferred)

Emails

****@yale.edu (Confirmed)

****@microsoft.com (Confirmed)

Personal Links

Homepage

DBLP

ORCID

Career & Education History

PhD student

CS Department, Yale University (yale.edu)

2023 – Present

Intern

Microsoft (microsoft.com)

2022 – 2023

Advisors, Relations & Conflicts

PhD Advisor

Mark Gerstein

Present

Expertise

Computational Biology

2022 – Present

Computational Physics

2022 – Present

Publications

E2Former: An Efficient and Equivariant Transformer with Linear-Scaling Tensor Products
Yunyang Li, Lin Huang, Zhihao Ding, Xinran Wei, Chu Wang, Han Yang, Zun Wang, Chang Liu, Yu Shi, Peiran Jin, Tao Qin, Mark Gerstein, Jia Zhang
- NeurIPS 2025 spotlight
- Readers: Everyone
Efficient and Scalable Density Functional Theory Hamiltonian Prediction through Adaptive Sparsity
Erpai Luo, Xinran Wei, Lin Huang, Yunyang Li, Han Yang, Zun Wang, Chang Liu, Zaishuo Xia, Jia Zhang, Bin Shao
- CoRR 2025
- Readers: Everyone
Enhancing the Scalability and Applicability of Kohn-Sham Hamiltonians for Molecular Systems
Yunyang Li, Zaishuo Xia, Lin Huang, Xinran Wei, Han Yang, Sam Harshe, Zun Wang, Chang Liu, Jia Zhang, Bin Shao, Mark B. Gerstein
- CoRR 2025
- Readers: Everyone
Efficient and Scalable Density Functional Theory Hamiltonian Prediction through Adaptive Sparsity
Erpai Luo, Xinran Wei, Lin Huang, Yunyang Li, Han Yang, Zaishuo Xia, Zun Wang, Chang Liu, Bin Shao, Jia Zhang
- ICML 2025 poster
- Readers: Everyone
E2Former: A Linear-time Efficient and Equivariant Transformer for Scalable Molecular Modeling
Yunyang Li, Lin Huang, Zhihao Ding, Chu Wang, Xinran Wei, Han Yang, Zun Wang, Chang Liu, Yu Shi, Peiran Jin, Jia Zhang, Mark Gerstein, Tao Qin
- CoRR 2025
- Readers: Everyone
Enhancing the Scalability and Applicability of Kohn-Sham Hamiltonians for Molecular Systems
Yunyang Li, Zaishuo Xia, Lin Huang, Xinran Wei, Samuel Harshe, Han Yang, Erpai Luo, Zun Wang, Jia Zhang, Chang Liu, Bin Shao, Mark Gerstein
- ICLR 2025 Spotlight
- Readers: Everyone
A survey of generative AI fordrug design: new frontiers in molecule and protein generation
Xiangru Tang, Howard Dai, Elizabeth Knight, Fang Wu, Yunyang Li, Tianxiao Li, Mark Gerstein
- Briefings Bioinform. 2024
- Readers: Everyone
A Survey of Generative AI for De Novo Drug Design: New Frontiers in Molecule and Protein Generation
Xiangru Tang, Howard Dai, Elizabeth Knight, Fang Wu, Yunyang Li, Tianxiao Li, Mark Gerstein
- CoRR 2024
- Readers: Everyone
Long-Short-Range Message-Passing: A Physics-Informed Framework to Capture Non-Local Interaction for Scalable Molecular Dynamics Simulation
Yunyang Li, Yusong Wang, Lin Huang, Han Yang, Xinran Wei, Jia Zhang, Tong Wang, Zun Wang, Bin Shao, Tie-Yan Liu
- ICLR 2024
- Readers: Everyone

View all 13 publications

Co-Authors

View all 33 co-authors