17 citations · 58 across the 13 of their papers we have counts for
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physics.chem-ph2022★ 5 cited
Supervised Pretraining for Molecular Force Fields and Properties Prediction
Xiang Gao, Weihao Gao, Wenzhi Xiao +3
Machine learning approaches have become popular for molecular modeling tasks, including molecular force fields and properties prediction. Traditional supervised learning methods su…
cs.LG2022★ 2 cited
Learning Regularized Positional Encoding for Molecular Prediction
Xiang Gao, Weihao Gao, Wenzhi Xiao +3
Machine learning has become a promising approach for molecular modeling. Positional quantities, such as interatomic distances and bond angles, play a crucial role in molecule physi…
cs.LG2022★ 6 cited
Learning to Simulate Unseen Physical Systems with Graph Neural Networks
Ce Yang, Weihao Gao, Di Wu +1
Simulation of the dynamics of physical systems is essential to the development of both science and engineering. Recently there is an increasing interest in learning to simulate the…