MMGNN: Multi-level, multi-color graph neural networks for molecular property prediction

arXiv:2606.20906v1 Announce Type: new Abstract: Molecular message-passing neural networks commonly propagate chemically diverse interactions through a single graph, which may mix interaction-specific signals and require deep propagation to capture long-range effects. We introduce the Multi-level, Multi-color Graph Neural Network (MMGNN), a hierarchical framework that decomposes a molecular graph into overlapping atom-type-pair-specific subgraphs while preserving atom-level resolution. MMGNN-2D c...