17 citations · 41 across the 9 of their papers we have counts for
6 papers · 1 filter
MolSculpt: Sculpting 3D Molecular Geometries from Chemical Syntax
Zhanpeng Chen, Weihao Gao, Shunyu Wang +3
Generating precise 3D molecular geometries is crucial for drug discovery and material science. While prior efforts leverage 1D representations like SELFIES to ensure molecular vali…
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…
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…
Defending against Reconstruction Attack in Vertical Federated Learning
Jiankai Sun, Yuanshun Yao, Weihao Gao +2
Recently researchers have studied input leakage problems in Federated Learning (FL) where a malicious party can reconstruct sensitive training inputs provided by users from shared…
Vertical Federated Learning without Revealing Intersection Membership
Jiankai Sun, Xin Yang, Yuanshun Yao +4
Vertical Federated Learning (vFL) allows multiple parties that own different attributes (e.g. features and labels) of the same data entity (e.g. a person) to jointly train a model.…
One Backward from Ten Forward, Subsampling for Large-Scale Deep Learning
Chaosheng Dong, Xiaojie Jin, Weihao Gao +5
Deep learning models in large-scale machine learning systems are often continuously trained with enormous data from production environments. The sheer volume of streaming training…