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Graph Neural Networks Do Not Always Oversmooth

NeurIPS 2024 · Graph learning › GNN architectures · approach: Oversmoothing and heterophily · 3 citations (OpenAlex)

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Uses the Gaussian process equivalence of infinitely wide GCNs to show that, beyond a critical weight variance, GCNs enter a chaotic non-oversmoothing phase where node features stay distinct even at large depth.

Problem

Oversmoothing in deep graph convolutional networks, where node features converge exponentially with depth, prevents designing deep GNNs; the paper asks whether and when this can be avoided.

Approach

Applies information-propagation theory (regular vs. chaotic phases, propagation depth from DNNs) to GCNs via their GP limit, linearizing the multidimensional node-pair covariance dynamics; shows that increasing the initial weight variance beyond a critical value yields a non-oversmoothing phase.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
increase weight variance at initialization past the transitionGCN · complete graph and CSBMequilibrium feature distanceHelped
increase weight variance at initialization into the non-oversmoothing phaseGCN GP · CSBM node classificationgeneralization errorHelped
increase depth while initializing near the non-oversmoothing transitionGCN GP · Cora node classificationaccuracyHelped
use weight variance in the oversmoothing phaseGCN GP · CSBM node classificationgeneralization errorHurt
use weight variance in the chaotic phase rather than the oversmoothing phaseGCN GP · CSBM node classification at more than 1,000 layersgeneralization errorHelped
use a finite-size GCN and train only its readout layerGCN · CSBM node classificationperformanceMixed
increase weight varianceGCN with the Kipf–Welling shift operator · equilibrium feature distanceaverage pairwise feature distanceHelped

Surprising findings

Limitations

Experimental setup

Datasets: Contextual Stochastic Block Model (synthetic) Cora

Benchmarks: Contextual Stochastic Block Model Cora

Metrics: node feature distance generalization error classification accuracy

Baselines: GCN

Builds on: Gaussian process equivalence of infinitely wide networks information propagation theory of deep neural networks (Schoenholz et al.) graph convolutional networks

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