Kavli Affiliate: Wei Gao | First 5 Authors: Fei Shuang, Fei Shuang, , , | Summary: Machine learning interatomic potentials (MLIPs) enable accurate atomistic modelling, but reliable uncertainty quantification (UQ) remains elusive. In this study, we investigate two UQ strategies, ensemble learning and D-optimality, within the atomic cluster expansion framework. It is revealed that higher […]