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Deep Homomorphism Networks

NeurIPS 2024 · Graph learning › GNN architectures · approach: Substructure-aware GNN expressivity · 0 citations (OpenAlex)

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Proposes the deep homomorphism network (DHN), a GNN built from graph homomorphism layers that enumerate local pattern homomorphisms with non-linear feature transforms, and characterises its expressive power via homomorphism indistinguishability.

Problem

Existing GNNs either cannot detect subgraph patterns beyond trees (MPGNNs) or are too expensive on large graphs (k-WL / higher-order GNNs, subgraph GNNs); explicit pattern counting methods are non-deep and inefficient in expressive power.

Approach

Generalise graph homomorphism numbers to rooted graphs with features using learnable non-linear node-wise transforms, wrap them in a GNN layer, and stack layers deeply so that l layers capture homomorphism counts from exponentially many (2^O(l)) patterns generated by iterated rooted products of a base pattern set.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Use cycles of lengths 2 to 10 rather than cycles of lengths 2 to 4 (ablation)DHN · EXPaccuracy (%): 50 -> 98Helped
Add a second layer with cycles of lengths 2 to 5 (ablation)DHN–pC2:5q · EXPaccuracy (%): 81 -> 99Helped
Add clique patterns K3:5 (ablation)DHN · SR25accuracy (%): 0 -> 100Helped
Use cycle patterns alone rather than clique patterns for the SR25 task (ablation)DHN · SR25accuracy (%)No clear effect

Surprising findings

Limitations

Experimental setup

Datasets: CSL EXP SR25 ENZYMES PROTEINS

Benchmarks: CSL EXP SR25 ENZYMES PROTEINS

Metrics: accuracy

Baselines: MPNN (GIN) PPGN I2-GNN N2-GNN

Builds on: Weisfeiler-Lehman test generalised homomorphism number (Nguyen and Maehara) Barcelo et al. homomorphism node features GIN Paolino et al. cycle GNN

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