POPS uncertainty bounds from misspecification-aware parameter sampling envelop DFT reference values for a broad range of tungsten properties and for MACE-MPA-0 energies.
Behler, The Journal of chemical physics 145 (2016)
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Uncertainty Quantification for Misspecified Machine Learned Interatomic Potentials
POPS uncertainty bounds from misspecification-aware parameter sampling envelop DFT reference values for a broad range of tungsten properties and for MACE-MPA-0 energies.