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GRANOLA: Adaptive Normalization for Graph Neural Networks

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In recent years, significant efforts have been made to refine the design of Graph Neural Network (GNN) layers, aiming to overcome diverse challenges, such as limited expressive power and oversmoothing. Despite their widespread adoption, the incorporation of off-the-shelf normalization layers like BatchNorm or InstanceNorm within a GNN architecture may not effectively capture the unique characteristics of graph-structured data, potentially reducing the expressive power of the overall architecture. Moreover, existing graph-specific normalization layers often struggle to offer substantial and consistent benefits. In this paper, we propose GRANOLA, a novel graph-adaptive normalization layer. Unlike existing normalization layers, GRANOLA normalizes node features by adapting to the specific characteristics of the graph, particularly by generating expressive representations of its neighborhood structure, obtained by leveraging the propagation of Random Node Features (RNF) in the graph. We present theoretical results that support our design choices. Our extensive empirical evaluation of various graph benchmarks underscores the superior performance of GRANOLA over existing normalization techniques. Furthermore, GRANOLA emerges as the top-performing method among all baselines within the same time complexity of Message Passing Neural Networks (MPNNs).

Moshe Eliasof, Beatrice Bevilacqua, Carola-Bibiane Sch\"onlieb, Haggai Maron• 2024

Related benchmarks

TaskDatasetResultRank
Graph ClassificationPTC
Accuracy69.9
167
Graph RegressionZINC 12K (test)
MAE0.1203
164
Graph ClassificationMolHIV
ROC AUC78.98
82
Graph ClassificationPROTEINS TUDataset
Accuracy77.5
44
Graph ClassificationNCI1 TUDataset
Accuracy84.3
44
Graph ClassificationMOLTOX21
ROC-AUC0.7719
38
Molecular property predictionMOLESOL
RMSE0.96
37
Molecular property predictionMolHIV
ROC-AUC78.98
35
Graph ClassificationMOLBACE
ROC AUC0.7992
31
Graph ClassificationMUTAG (TUDataset)
Accuracy0.922
31
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