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Unifying Homophily and Heterophily for Spectral Graph Neural Networks via Triple Filter Ensembles

NeurIPS 2024 · Graph learning › GNN architectures · approach: Spectral GNN design · 9 citations (OpenAlex)

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Proposes TFE-GNN, a polynomial-based spectral GNN that ensembles base low-pass and high-pass graph filters with learnable coefficients to adaptively handle homophily and heterophily without polynomial computation or coefficient constraints.

Problem

Polynomial-based learnable spectral GNNs face a trade-off: better polynomial approximation and sophisticated graph learning or coefficient constraints improve benchmark accuracy but cause overfitting and poor generalization across graphs of varying homophily.

Approach

A triple filter ensemble: a learnable sum of base low-pass filter powers and a learnable sum of base high-pass filter powers are combined with two learnable scalars to form a graph convolution, avoiding polynomial recurrences and coefficient constraints. The authors argue theoretically it can match ChebNet's approximation ability and can be seen as a combination of two unfolded polynomial GNNs.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
add the low-pass ensemble TFE1 (ablation)TFE-GNNsum · Citeseeraccuracy: 61.00±1.19 -> 82.83±1.24Helped
add the low-pass ensemble TFE1 (ablation)TFE-GNNsum · Cora-Fullaccuracy: 64.09±0.41 -> 73.60±0.21Helped
add the low-pass ensemble TFE1 (ablation)TFE-GNNsum · Squirrelaccuracy: 57.06±1.03 -> 72.27±1.32Helped
add the low-pass ensemble TFE1 (ablation)TFE-GNNsum · Coauthor CSaccuracy: 96.96±0.17 -> 96.96±0.17No clear effect
add the high-pass ensemble TFE2 (ablation)TFE-GNNsum · Chameleonaccuracy: 61.05±2.45 -> 77.16±1.41Helped
add the high-pass ensemble TFE2 (ablation)TFE-GNNsum · Squirrelaccuracy: 41.91±0.69 -> 72.27±1.32Helped
add the high-pass ensemble TFE2 (ablation)TFE-GNNsum · Wisconsinaccuracy: 81.62±8.40 -> 97.38±1.42Helped
add the high-pass ensemble TFE2 (ablation)TFE-GNNsum · Texasaccuracy: 68.36±7.10 -> 94.87±2.66Helped
use the random-walk normalized Laplacian as the high-pass filter (ablation)TFE-GNNsum · Coraaccuracy: 90.73±1.11 -> 89.57±1.26Hurt
use the random-walk normalized Laplacian as the high-pass filter (ablation)TFE-GNNsum · Wisconsinaccuracy: 97.38±1.42 -> 96.00±1.34Hurt
use concatenation instead of summation for the third ensembleTFE-GNN · Coraaccuracy: 90.73±1.11 vs 90.11±1.27No clear effect
use concatenation instead of summation for the third ensembleTFE-GNN · Chameleonaccuracy: 77.16±1.41 vs 77.03±1.47No clear effect

Surprising findings

Limitations

Experimental setup

Datasets: Cora Citeseer Pubmed Cora-Full Coauthor CS Coauthor Physics Chameleon Squirrel Texas Cornell Wisconsin roman-empire

Benchmarks: Cora Citeseer Pubmed Cora-Full Coauthor CS Coauthor Physics Chameleon Squirrel Texas Cornell Wisconsin roman-empire

Metrics: mean accuracy standard deviation over random splits training and validation loss gap

Baselines: GCN ARMA APPNP ChebNet GPR-GNN BernNet ChebNetII Specformer EvenNet FavardGNN PCNet GCNII

Builds on: ChebNet ChebNetII PCNet BernNet GPR-GNN

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