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

Published in arXiv, 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"; preprint arXiv:2407.10844 (2024). https://arxiv.org/abs/2407.10844