Lin Huang

Physical Consistency Bridges Heterogeneous Data in Molecular Multi-Task Learning

Yuxuan Ren, Dihan Zheng, Chang Liu, Peiran Jin, Yu Shi, Lin Huang, Jiyan He, Shengjie Luo, Tao Qin, Tie-Yan Liu

2024 Neural Information Processing Systems | October 2024

Publication Preprint

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

NeurIPS 2024 | June 2024

DOI Publication Publication

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

April 2023

Preprint

Physical Consistency Bridges Heterogeneous Data in Molecular Multi-Task Learning

Yuxuan Ren, Dihan Zheng, Chang Liu, Peiran Jin, Yu Shi, Lin Huang, Jiyan He, Shengjie Luo, Tao Qin, Tie-Yan Liu

2024 Neural Information Processing Systems | October 2024

Publication Preprint

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

NeurIPS 2024 | June 2024

DOI Publication Publication

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

April 2023

Preprint

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

April 2023

Preprint

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

April 2023

Preprint

Physical Consistency Bridges Heterogeneous Data in Molecular Multi-Task Learning

Yuxuan Ren, Dihan Zheng, Chang Liu, Peiran Jin, Yu Shi, Lin Huang, Jiyan He, Shengjie Luo, Tao Qin, Tie-Yan Liu

2024 Neural Information Processing Systems | October 2024

Publication Preprint

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

NeurIPS 2024 | June 2024

DOI Publication Publication

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

April 2023

Preprint