scores. The number of bins was chosen to balance granularity with statistical significance. For each bin, we computed the average total uncertainty, the accuracy, and the Spearman rank-order correlation coefficient ρ to assess the relationship between these values. Figure shows the average total uncertainty versus accuracy. The strong negative correlation (ρ = -0.96) between total uncertainty and accuracy indicates that the model's confidence aligns well with its predictive performance. A similar study based on the MCC is available in the Supporting Information, section S.8.