To further investigate the discrepancies between AWESOM and FAME 3R, we categorized the atoms in the test set by type. These types include halogens (fluorine, chlorine, bromine, iodine), as well as carbon, nitrogen, oxygen, and sulfur, categorized by their hybridization state. Figure shows the match ratio between the predictions made by AWESOM and FAME 3R and the average total uncertainty predicted by AWESOM for each atom type. We observed that the total predictive uncertainty is inversely correlated with the match ratio between the two models. For example, sp-hybridized carbon atoms and sp 3 -hybridized nitrogen atoms exhibit the lowest match ratios and the highest average total uncertainty of all types, while halogen atoms show the highest match ratios and the lowest total uncertainty.