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Graph Mixture of Experts: Learning on Large-Scale Graphs with Explicit Diversity Modeling

NeurIPS 2023 · Graph learning › GNN architectures · approach: Simple and scalable GNNs · 12 citations (OpenAlex)

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Measured effects reported in the paper

What was changedWhereMeasuredEffect
replace GCN layers with GMoE layersGCN · ogbg-molhivROC-AUC: 76.06 -> 77.87Helped
replace GCN layers with GMoE layersGCN · ogbn-arxivaccuracy: 71.74 -> 71.88No clear effect
replace GIN layers with GMoE layers (no pretrain)GIN · ogbg-moltoxcastROC-AUC: 63.3 -> 62.86Hurt
add GMoE to pretrained GINGIN+Pretrain · ogbg-molbbbpROC-AUC: 69.94 -> 68.62Hurt
add GMoE to pretrained GINGIN+Pretrain · average of 4 datasetsROC-AUC: 70.71 -> 71.31Helped
use all hop-2 experts instead of all hop-1 (ablation)GMoE-GCN · ogbg-molhivROC-AUC: 77.53 -> 77.87Helped
use all hop-2 experts instead of all hop-1 (ablation)GMoE-GCN · ogbg-molfreesolvRMSE: 2.532 -> 2.873Hurt
use sparse top-k (k=1) instead of dense (k=4) (ablation)GMoE-GCN · ogbg-molfreesolvRMSE: 2.856 -> 2.500Helped
add load-balancing loss (lambda 0.1) (ablation)GMoE-GCN · ogbg-moltox21ROC-AUC: 72.87 -> 75.45Helped
integrate GMoE into Neural FingerPrintsNeural FingerPrints · ogbg-molhivROC-AUC: +0.4Helped

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