Spectral Multigraph Networks for Discovering and Fusing Relationships in Molecules. Knyazev, B., Lin, X., Amer, M., R., & Taylor, G., W. 2018.
Spectral Multigraph Networks for Discovering and Fusing Relationships in Molecules [link]Website  abstract   bibtex   
Spectral Graph Convolutional Networks (GCNs) are a generalization of convolutional networks to learning on graph-structured data. Applications of spectral GCNs have been successful, but limited to a few problems where the graph is fixed, such as shape correspondence and node classification. In this work, we address this limitation by revisiting a particular family of spectral graph networks, Chebyshev GCNs, showing its efficacy in solving graph classification tasks with a variable graph structure and size. Chebyshev GCNs restrict graphs to have at most one edge between any pair of nodes. To this end, we propose a novel multigraph network that learns from multi-relational graphs. We model learned edges with abstract meaning and experiment with different ways to fuse the representations extracted from annotated and learned edges, achieving competitive results on a variety of chemical classification benchmarks.
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 title = {Spectral Multigraph Networks for Discovering and Fusing Relationships in Molecules},
 type = {article},
 year = {2018},
 pages = {1-11},
 websites = {http://arxiv.org/abs/1811.09595},
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 abstract = {Spectral Graph Convolutional Networks (GCNs) are a generalization of convolutional networks to learning on graph-structured data. Applications of spectral GCNs have been successful, but limited to a few problems where the graph is fixed, such as shape correspondence and node classification. In this work, we address this limitation by revisiting a particular family of spectral graph networks, Chebyshev GCNs, showing its efficacy in solving graph classification tasks with a variable graph structure and size. Chebyshev GCNs restrict graphs to have at most one edge between any pair of nodes. To this end, we propose a novel multigraph network that learns from multi-relational graphs. We model learned edges with abstract meaning and experiment with different ways to fuse the representations extracted from annotated and learned edges, achieving competitive results on a variety of chemical classification benchmarks.},
 bibtype = {article},
 author = {Knyazev, Boris and Lin, Xiao and Amer, Mohamed R. and Taylor, Graham W.}
}

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