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Weisfeiler and Leman go sparse: Towards scalable higher-order graph embeddings

NeurIPS 2020 · Graph learning › GNN architectures · approach: Substructure-aware GNN expressivity · 41 citations (OpenAlex)

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Measured effects reported in the paper

What was changedWhereMeasuredEffect
Use local sparse tuple neighborhoods instead of global neighborhoodsδ-k-LWL graph kernels · Graph classification benchmarksaccuracy: almost 20%Helped
Add LWL+ global-count information to local aggregation (ablation)δ-2-LWL · IMDB-Multiaccuracy: 50.2 ± 0.6 -> 62.5 ± 1.0Helped
Add LWL+ global-count information to local aggregation (ablation)δ-2-LWL · Enzymesaccuracy: 56.6 ± 1.2 -> 52.9 ± 1.4Hurt
Increase tuple order from 2 to 3 (ablation)δ-k-LWL · Graph classification benchmarks excluding EnzymesaccuracyHurt
Use local rather than global tuple neighborhoods (ablation)δ-2-LGNN · ZincMAE: 0.042 ± 0.003 -> 0.045 ± 0.006Hurt
Use local rather than global tuple neighborhoods (ablation)δ-2-LGNN · AlchemyMAE: 0.080 ± 0.001 -> 0.083 ± 0.001Hurt
Use local aggregation rather than global aggregationδ-2-WL kernel · Enzymes test splitaccuracy: 37.5 -> 56.6Helped
Use local sparse tuple neighborhoodsδ-k graph kernels · Enzymesspeedup: over ten times fasterHelped
Use local sparse tuple neighborhoodsδ-2-LGNN · Zincspeedup: more than two times lowerHelped

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