Fig. 1: A schematic diagram that demonstrates how to extract subgraphs from a original heterogeneous graph. | npj Computational Materials

Fig. 1: A schematic diagram that demonstrates how to extract subgraphs from a original heterogeneous graph.

From: Heterogeneous relational message passing networks for molecular dynamics simulations

Fig. 1

a The original graph constructed via a certain method with multiple node types, specifically, three types A, B, and C here. b Subgraphs extracted from the original graph according to triadic relations. The number of subgraphs is of the order of \({N}_{e}^{3}\), where Ne is the number of node types. c Subgraphs extracted from the original graph according to type of central nodes. In this case, the number of subgraphs linearly increases with respect to Ne.

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