AI RESEARCH
Equivariant Evidential Deep Learning for Interatomic Potentials
arXiv CS.AI
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ArXi:2602.10419v2 Announce Type: replace-cross Uncertainty quantification (UQ) is critical for assessing the reliability of machine learning interatomic potentials (MLIPs) in molecular dynamics (MD) simulations, identifying extrapolation regimes and enabling uncertainty-aware workflows such as active learning for