Fig. 2: Correlation between actual and predicted pointwise errors obtained from \({\pi }_{{\mathcal{H}}}^{* }\).
From: Uncertainty quantification for misspecified machine learned interatomic potentials
a energies; b forces. The predicted error metric is here taken as half of the range of the minimum/maximum predicted values. Means and medians are taken with respect to bins of actual MAE errors.
