7 citations · 7 across the 1 of their papers we have counts for
2 papers
stat.ML2021★ 7 cited
Stochastic Aggregation in Graph Neural Networks
Yuanqing Wang, Theofanis Karaletsos
Graph neural networks (GNNs) manifest pathologies including over-smoothing and limited discriminating power as a result of suboptimally expressive aggregating mechanisms. We herein…
physics.comp-ph2019
Graph Nets for Partial Charge Prediction
Yuanqing Wang, Josh Fass, Chaya D. Stern +2
Atomic partial charges are crucial parameters for Molecular Dynamics (MD) simulations, molecular mechanics calculations, and virtual screening, as they determine the electrostatic…