Open AccessProceedings Article
Fast Neighborhood Subgraph Pairwise Distance Kernel
Fabrizio Costa,Kurt De Grave +1 more
- 21 Jun 2010
- pp 255-262
TL;DR: A novel graph kernel called the Neighborhood Subgraph Pairwise Distance Kernel is introduced, which decomposes a graph into all pairs of neighborhood subgraphs of small radius at increasing distances and is shown that using a fast graph invariant the authors obtain significant speed-ups in the Gram matrix computation.
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Abstract: We introduce a novel graph kernel called the Neighborhood Subgraph Pairwise Distance Kernel. The kernel decomposes a graph into all pairs of neighborhood subgraphs of small radius at increasing distances. We show that using a fast graph invariant we obtain significant speed-ups in the Gram matrix computation. Finally, we test the novel kernel on a wide range of chemoinformatics tasks, from antiviral to anticarcinogenic to toxicological activity prediction, and observe competitive performance when compared against several recent graph kernel methods.
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