Improved Uncertainty Estimation of Graph Neural Network Potentials Using Engineered Latent Space Distances

Published in The Journal of Physical Chemistry C, 2024

Recommended citation: Joseph Musielewicz, Janice Lan, Matt Uyttendaele, and John R. Kitchin "Improved Uncertainty Estimation of Graph Neural Network Potentials Using Engineered Latent Space Distances" J. Phys. Chem. C 128, 20799-20810 (2024). https://doi.org/10.1021/acs.jpcc.4c04972