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Schematic of conventional and learnable SOAP descriptors. The element-pair SOAPs (bottom left panel) are concatenations of the SOAPs of each elemental pair; the cation–anion-pair SOAPs (bottom center panel) are concatenations of three pairs, namely, cation–cation, cation–anion, and anion–anion combinations; and L-SOAPs (bottom right panel) have element-based learnable weights, which are automatically adjusted during ANN training.
