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Wasserstein Weisfeiler-Lehman Graph Kernels

NeurIPS 2019 · Graph learning › Graph algorithms and clustering · approach: Graph embedding and spectral sparsification · 60 citations (OpenAlex)

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Measured effects reported in the paper

What was changedWhereMeasuredEffect
replace summed RBF kernel over node embeddings with Wasserstein distance (ablation)WWL · ENZYMES (continuous)accuracy (%): 68.43 -> 73.25Helped
replace summed RBF kernel with Wasserstein distance (ablation)WWL · BZR (continuous)accuracy (%): 80.96 -> 84.42Helped
replace summed RBF kernel with Wasserstein distance (ablation)WWL · BZR-MD (continuous)accuracy (%): 69.13 -> 69.76No clear effect
replace WL aggregation by sum with Wasserstein transport on WL embeddingsWWL · PTC-MRaccuracy (%): 61.21 -> 66.31Helped
replace optimal assignment (WL-OA) with optimal transport (WWL)WWL · NCI1accuracy (%): 86.08 -> 85.75No clear effect
replace optimal assignment (WL-OA) with optimal transport (WWL)WWL · PROTEINS (categorical)accuracy (%): 76.37 -> 74.28Hurt
replace WL-OA with WWLWWL · ENZYMES (categorical)accuracy (%): 58.97 -> 59.13No clear effect
replace hash graph kernel HGK-WL with WWLWWL · ENZYMES (continuous)accuracy (%): 63.04 -> 73.25Helped
replace HGK-WL with WWLWWL · COX2 (continuous)accuracy (%): 78.13 -> 78.29No clear effect
replace Krein SVM with standard SVM for continuous WWL (ablation)WWL · continuous attribute datasetsaccuracy (%)No clear effect

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