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On the Expressive Power of Spectral Invariant Graph Neural Networks

ICML 2024 · Graph learning › GNN architectures · approach: Weisfeiler-Leman expressivity hierarchies · 1 citations (OpenAlex)

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Introduces Eigenspace Projection GNN (EPNN) as a unified framework for spectral invariant GNNs, proves its expressive power is bounded by PSWL and hence strictly below 3-WL, and places distance-based, Basisnet, SPE, and higher-order spectral models in a single expressiveness hierarchy.

Problem

Characterize the expressive power of spectral invariant GNNs, which use eigenspace projections or spectral distances as invariant features.

Approach

EPNN treats the multiset of eigenspace projection values and eigenvalues for each node pair as an edge feature inside message passing on a fully connected graph; the authors show this unifies prior spectral invariant models, bound it by PSWL (a Subgraph GNN), and prove strict gaps across Siamese IGN, Weak Spectral IGN and Spectral IGN.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Use EPNN instead of GraphormerBREC · BREC Totalaccuracy: 19.8 -> 53.8Helped
Use EPNN instead of NGNNBREC · BREC Totalaccuracy: 41.5 -> 53.8Helped
Use EPNN instead of ESANBREC · BREC Totalaccuracy: 55.2 -> 53.8Hurt
Use EPNN instead of PPGNBREC · BREC Totalaccuracy: 58.2 -> 53.8Hurt

Surprising findings

Limitations

Experimental setup

Datasets: BREC

Benchmarks: BREC

Metrics: number of distinguished graph pairs (Basic, Reg, Ext, CFI, T

Baselines: Graphormer NGNN ESAN PPGN BasisNet SPE SignNet

Builds on: BasisNet SPE Subgraph GNN (PSWL) Generalized Distance WL k-IGN

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