Separating high-uncertainty points further supports their potential prioritization for future sampling to improve model performance on underrepresented parts of the configurational space. We evaluated the average miscalibration curve for both the test set and the cis-trans interpolation region (Figure ). Both exhibit slight underconfidence, with MACE values of 0.11 and 0.10, suggesting that the predictive uncertainties for energy are behaving similarly and are reasonably accurate. Posthoc calibration significantly improves the accuracy of these uncertainty estimates (Figure ).