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GDeR: Safeguarding Efficiency, Balancing, and Robustness via Prototypical Graph Pruning

NeurIPS 2024 · Graph learning › GNN architectures · approach: Theory of graph convolutional networks · 0 citations (OpenAlex)

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Proposes GDeR, a dynamic soft data-pruning method for graph learning that uses trainable prototypes on a hyperspherical embedding to sample representative, balanced, and noise-robust graph subsets each epoch.

Problem

Data pruning for graph neural network training speeds up training but degrades performance under class imbalance and noisy/biased training data; no graph-level data pruning method addresses efficiency, balance and robustness together.

Approach

Projects graph embeddings onto a hypersphere modeled by class-specific vMF prototypes with compactness and separation losses, then samples each epoch's training subset using a score combining familiarity, prototype-based Mahalanobis outlier risk, and cluster-minority balancing; unselected samples are sampled with the previous epoch's distribution.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Use GDeR instead of InfoBatch for dynamic pruningPNA · ogbg-molhiv, 50% remainingROC-AUC: 76.3 -> 76.4Helped
Use GDeR instead of InfoBatch for dynamic pruningPNA · ogbg-molpcba, 70% remainingAP: 28.3 -> 28.5Helped
Use GDeR instead of full-dataset trainingGraphGPS · ogbg-molhiv, 50% remainingROC-AUC: 78.7 -> 78.7No clear effect
Use GDeR instead of full-dataset trainingGraphGPS · ogbg-molpcba, 50% remainingAP: 27.2 -> 27.4Helped
Use GDeR for graph pretraining with 30% of ZINC15 dataGraphMAE · ZINC15 pretraining, training speeduptraining speedup: 2.81×Helped
Add familiarity score ω_e to sampling (ablation)GDeR · Normal, imbalance, and biased scenariosperformance: 79.77_{\pm 2.97} -> 84.21_{\pm 3.40}; 73.78_{\pm 2.96} -> 76.32_{\pm 4.70}; 75.60_{\pm 3.55} -> 77.84_{\pm 2.70}Helped
Add outlier-risk score ω_r to sampling (ablation)GDeR · Biased scenarioperformance: 77.96_{\pm 3.18} vs 77.84_{\pm 2.70}No clear effect
Add balancing score ω_b to sampling (ablation)GDeR · Imbalance scenarioperformance: 73.12_{\pm 2.50} -> 76.32_{\pm 4.70}Helped
Set prototype count K to 1 instead of K=2 (ablation)GDeR · ogbg-molhiv, GraphGPS, 20% pruningROC-AUC: 76.5_{\pm 1.4} -> 75.8_{\pm 1.5}Hurt
Set prototype count K to 4 instead of K=2 (ablation)GDeR · ogbg-molhiv, GraphGPS, 50% pruningROC-AUC: 78.7_{\pm 1.3} -> 78.9_{\pm 0.23}Helped

Surprising findings

Limitations

Experimental setup

Datasets: MUTAG DHFR ogbg-molhiv ogbg-molpcba ZINC15

Benchmarks: MUTAG DHFR ogbg-molhiv ogbg-molpcba MoleculeNet BBBP MoleculeNet ToxCast MoleculeNet BACE

Metrics: ROC-AUC Average Precision Accuracy F1-macro per-epoch time / training speedup

Baselines: InfoBatch Soft Random epsilon-greedy UCB Craig Glister EL2N GraNd Forgetting Herding K-Center DeepFool

Builds on: InfoBatch GraphMAE ProtNCELoss

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