High Accuracy Uncertainty-Aware Interatomic Force Modeling with Equivariant Bayesian Neural Networks

5 April 2023

Papers citing "High Accuracy Uncertainty-Aware Interatomic Force Modeling with Equivariant Bayesian Neural Networks"

3 / 3 papers shown

Title
SpookyNet: Learning Force Fields with Electronic Degrees of Freedom and Nonlocal Effects Oliver T. Unke Stefan Chmiela M. Gastegger Kristof T. Schütt H. E. Sauceda K. Müller 142 244 0 01 May 2021
E(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials Simon L. Batzner Albert Musaelian Lixin Sun Mario Geiger J. Mailoa M. Kornbluth N. Molinari Tess E. Smidt Boris Kozinsky 190 1,229 0 08 Jan 2021
Dropout as a Bayesian Approximation: Representing Model Uncertainty in Deep Learning Y. Gal Zoubin Ghahramani UQCV BDL 247 9,109 0 06 Jun 2015