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Recipe for a General, Powerful, Scalable Graph Transformer

NeurIPS 2022 · Graph learning › GNN architectures · approach: Expressive equivariant message passing · 228 citations (OpenAlex)

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Measured effects reported in the paper

What was changedWhereMeasuredEffect
Add global attention to GPS (ablation)GPS · PCQM4Mv2-SubsetMAE: 0.1213 ± 0.0002 -> 0.1159 ± 0.0004Helped
Add global attention to GPS (ablation)GPS · ZINCMAE: 0.070 ± 0.004 -> 0.070 ± 0.004No clear effect
Remove the MPNN (ablation)GPS · CIFAR10Accuracy: 72.305 ± 0.344 -> 68.862 ± 1.138Hurt
Remove the MPNN (ablation)GPS · MalNet-TinyAccuracy: 92.64 ± 0.78 -> 73.90 ± 0.58Hurt
Remove RWSE (ablation)GPS · PCQM4Mv2-SubsetMAE: 0.1159 ± 0.0004 -> 0.1355 ± 0.0035Hurt
Replace RWSE with PEG LapEig (ablation)GPS · ZINCMAE: 0.070 ± 0.002 -> 0.936 ± 0.143Hurt
Use SignNet DeepSets instead of RWSE (ablation)GPS · PCQM4Mv2-SubsetMAE: 0.1159 ± 0.0004 -> 0.1144 ± 0.0002Helped
Use PEG LapEig instead of LapPE (ablation)GPS · PascalVOC-SPF1 score: 0.3736 ± 0.0158 -> 0.3956 ± 0.0084Helped
Remove LapPE (ablation)GPS · PascalVOC-SPF1 score: 0.3736 ± 0.0158 -> 0.3846 ± 0.0156Helped
Replace Transformer attention with Performer (ablation)GPS · MalNet-TinyAccuracy: 93.50 ± 0.41 -> 92.64 ± 0.78Hurt
Use Performer global attention (ablation)GPS · MalNet-TinyAccuracy: 92.23 ± 0.65 -> 92.64 ± 0.78Helped
Combine local message passing with global attention and graph encodingsGPS · PascalVOC-SPF1 score: 0.3230 ± 0.0039 -> 0.3748 ± 0.0109Helped

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