Spatial Graph Convolutional Networks
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Graph Convolutional Networks (GCNs) have recently become the primary choice for learning from graph-structured data, superseding hash fingerprints in representing chemical compounds. However, GCNs lack the ability to take into account the ordering of node neighbors, even when there is a geometric interpretation of the graph vertices that provides an order based on their spatial positions. To remedy this issue, we propose Spatial Graph Convolutional Network (SGCN) which uses spatial features to efficiently learn from graphs that can be naturally located in space. Our contribution is threefold: we propose a GCN-inspired architecture which (i) leverages node positions, (ii) is a proper generalization of both GCNs and Convolutional Neural Networks (CNNs), (iii) benefits from augmentation which further improves the performance and assures invariance with respect to the desired properties. Empirically, SGCN outperforms state-of-the-art graph-based methods on image classification and chemical tasks.
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Cited by 2 Pith papers
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HSG-12M: A Large-Scale Benchmark of Spatial Multigraphs from the Energy Spectra of Non-Hermitian Crystals
Authors release HSG-12M, a dataset of 16.7 million spatial multigraphs generated from non-Hermitian crystal energy spectra via the Poly2Graph pipeline, along with initial GNN benchmarks.
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HSG-12M: A Large-Scale Benchmark of Spatial Multigraphs from the Energy Spectra of Non-Hermitian Crystals
HSG-12M is a large dataset of spatial multigraphs derived from non-Hermitian crystal energy spectra via the Poly2Graph pipeline, positioned as the first large-scale benchmark of this graph type.
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