Fig. depicts direct comparisons between individual (first column) and aggregated (second column) absolute errors versus uncertainties, as well as sparsification plots (third column) and the distribution of the ratios between absolute error and uncertainty α (fourth column). Further uncertainty metrics are reported in the Supporting Information. The sparsification curves are obtained by ordering the test data points by either the absolute error or the uncertainty, and then obtaining the mean absolute error over a fraction of the data points. Without remov- ing any data points (i.e. the fraction of removed data points equals zero), this yields simply the mean absolute error averaged over all test data points, all atoms and all directions. By iteratively removing test data (highest values of error or uncertainty are removed first), the mean absolute error over the remaining data is therefore lowered if the ordering corresponds to the absolute error (oracle order). If the model uncertainties show the exact same order as the absolute errors, the area between the oracle curve and the sparsification curve is zero. A large area therefore indicates that the uncertainties are not ordered according the absolute error.