Wei, Xinran

6 publications

NeurIPS 2025 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

ICML 2025 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

ICLR 2025 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

NeurIPS 2024 Infusing Self-Consistency into Density Functional Theory Hamiltonian Prediction via Deep Equilibrium Models Zun Wang, Chang Liu, Nianlong Zou, He Zhang, Xinran Wei, Lin Huang, Lijun Wu, Bin Shao

ICLR 2024 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

ICML 2024 Self-Consistency Training for Density-Functional-Theory Hamiltonian Prediction He Zhang, Chang Liu, Zun Wang, Xinran Wei, Siyuan Liu, Nanning Zheng, Bin Shao, Tie-Yan Liu