Predictive Uncertainty Quantification for Graph Neural Network Driven Relaxed Energy Calculations

Published in Neurips 2023 AI4Science Workshop, 2023

Recommended citation: Joseph Musielewicz, Janice Lan, and Matt Uyttendaele "Predictive Uncertainty Quantification for Graph Neural Network Driven Relaxed Energy Calculations" NeurIPS 2023 AI for Science Workshop https://openreview.net/pdf?id=rdgB5BqWCw