To corroborate the potential of IS-DOS as a proper representation of inorganic crystals for IS2RE task, we compared similarities between DOS extracted from IS (IS-DOS) and RS (RS-DOS) (Fig. ). We generated unrelaxed initial structures by substituting atoms in prototypical crystal structures taken from Materials Project. One can observe that a distribution of energy states remains unchanged even after the geometry relaxation. For a more quantitative comparison, we calculated the number of states per energy and 0-4 th moment properties of DOS, i.e., filling, center, width, skewness and kurtosis 20 for all crystal structures (7,168) in a validation set. We note that the number of states (y-axis of DOS) of each orbital and spin state was normalized using min-max normalization, and zero-state energy ranges were discarded to avoid an overestimation of similarity. As a baseline error, we randomly selected one IS-DOS and one RS-DOS from the validation set and calculated their similarities, 7,168 pairs in total.