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Revisiting Score Propagation in Graph Out-of-Distribution Detection

NeurIPS 2024 · Graph learning › Graph self-supervised learning · approach: Graph out-of-distribution generalization · 3 citations (OpenAlex)

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Analyzes when post-hoc OOD score propagation helps graph OOD node detection and proposes GRASP, an edge augmentation on a selected training subset that boosts intra-edge ratio, with theoretical guarantees and experiments on 10 datasets.

Problem

OOD node detection on graphs, where naive OOD score propagation along edges can hurt performance when ID-to-OOD (inter) edges dominate.

Approach

Derives conditions (intra-edge ratio vs. inter-edge ratio) under which score propagation helps, and adds edges from a selected subset of training nodes that have more edges to confidently-ID test nodes than to confidently-OOD test nodes, so propagation is improved; the method is post hoc and works with existing OOD scores.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Apply GRASP score propagation rather than GNNSafeGCN graph OOD detection · Common benchmarks (average)FPR95: 17.87%Helped
Apply GRASP score propagation rather than the strongest baselineGCN graph OOD detection · Large-scale benchmarks (average)FPR95: 32.21%Helped
Use top 50% of training nodes ranked by h(i), rather than random selection (ablation)GRASP · Common benchmarks (average)AUROC: 81.19 -> 85.19Helped
Use top 50% of training nodes ranked by h(i), rather than the lowest 50% (ablation)GRASP · Common benchmarks (average)AUROC: 77.84 -> 85.19Helped
Choose augmentation nodes using h(i), rather than GAug without h(i) (ablation)GRASP · Common benchmarks (average)AUROC: 68.50 -> 85.19Helped
Augment selected training nodes rather than selected test ID/OOD nodes (ablation)GRASP · Common benchmarks (average)AUROC: 65.85 -> 85.19Helped
Add GRASP augmentation before propagation rather than use naive MSP propagationMSP graph OOD scoring · ChameleonAUROC: 50.35 -> 76.93Helped
Add GRASP augmentation before propagation rather than use naive MSP propagationMSP graph OOD scoring · SquirrelAUROC: 36.21 -> 61.09Helped
Use naive score propagation instead of raw MSP scoresGraph OOD detection on heterophily benchmarks · Chameleon and SquirrelAUROC: 57.96 -> 50.35; 48.51 -> 36.21Hurt
Increase intra-edge ratio by augmenting the graphGraph OOD detection · Common and large-scale benchmarksAUROC: 87.52 -> 93.50; 31.99 -> 98.50Mixed

Surprising findings

Limitations

Experimental setup

Datasets: Cora Amazon-Photo Coauthor-CS Chameleon Squirrel Reddit2 ogbn-products ArXiv-year Snap-patents Wiki

Benchmarks: Cora Amazon-Photo Coauthor-CS Chameleon Squirrel Reddit2 ogbn-products ArXiv-year Snap-patents Wiki

Metrics: AUROC FPR95

Baselines: MSP Energy KNN ODIN Mahalanobis GKDE GPN OODGAT GNNSafe fDBD NODESafe

Builds on: GNNSafe maximum softmax probability GAug

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