Robust and scalable uncertainty estimation with conformal prediction for machine-learned interatomic potentials

Published in Machine Learning: Science and Technology, 2022

Recommended citation: Yuge Hu, Joseph Musielewicz, Zachary Ulissi, and Andrew J. Medford "Robust and scalable uncertainty estimation with conformal prediction for machine-learned interatomic potentials." Mach. Learn.: Sci. Technol. 3 045028 (2022). https://doi.org/10.1088/2632-2153/aca7b1