is the ratio between the number of data points in the subgroup, p(gh), and the total number of data points in the whole data set, p(X), and m /no (X, gh) is the cumulative Janson-Shannon divergence between the distribution of the target values in the SG and the distribution of the target values in the whole data set. The coverage term controls the subgroup size and prevents that very small SGs with little statistical significance are selected. The second term, m /no , is the cumulative-distribution-function formulation of the Jensen-Shanon divergence, which is a properly symmetrized version of the information-theoretic Kulback-Leibler divergence. m /no measures the dissimilarity between two distributions: It assumes close-to-zero values for similar distributions and increases, for instance, as the distributions have different standard deviations or different means. Thus, the second term in Eq. 3 favors the identification of SGs presenting target values as "unusual" as possible compared to the majority of observations. It also favors distributions which are contained in narrower value ranges compared to the whole data set. When most of the data points at hand contain low-performing materials and conditions, the use of m /no in the quality function allows focusing on the exceptional high-performing materials. Further SGD details, including the detailed description of the approach and of the Jensen-Shanon divergence are available in ESI.