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Non-convolutional graph neural networks.

NeurIPS 2024 · Graph learning › GNN architectures · approach: Substructure-aware GNN expressivity · 5 citations (OpenAlex)

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Proposes RUM, a convolution-free GNN that samples random walks per node and feeds semantic features and anonymous-experiment topology indices through GRUs, claiming expressiveness beyond WL, relief from over-smoothing/over-squashing, and fast GPU speed.

Problem

Convolution-based GNNs suffer from limited expressiveness (bounded by the WL test), over-smoothing, over-squashing, and need specialized sparse kernels for efficient computation.

Approach

Replace message passing with per-node random walks terminating at each node; each walk is encoded by a GRU over its node features (semantic) and its anonymous-experiment index sequence (topological), and node embeddings are Monte Carlo averages over walks, with no convolution operator.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
use RUM instead of the strongest listed baselineNode classification · Coraaccuracy: 85.5_{\pm 0.5} -> 84.1_{\pm 0.9}Hurt
use RUM instead of the strongest listed baselineNode classification · CiteSeeraccuracy: 74.2_{\pm 1.7} -> 75.5_{\pm 0.5}Helped
use RUM instead of the strongest listed baselineNode classification · PubMedaccuracy: 80.3_{\pm 0.4} -> 82.2_{\pm 0.2}Helped
use RUM instead of the strongest listed baselineNode classification · Computeraccuracy: 83.5_{\pm 2.2} -> 77.8_{\pm 2.3}Hurt
use RUM instead of the strongest listed baselineNode classification · Photoaccuracy: 91.2_{\pm 2.3} -> 92.7_{\pm 0.1}Helped
use RUM instead of the strongest listed baselineGraph classification · IMDB-Baccuracy: 75.1_{\pm 5.1} -> 81.1_{\pm 4.5}Helped
use RUM instead of the strongest listed baselineGraph classification · MUTAGaccuracy: 93.6_{\pm 8.6} -> 91.0_{\pm 7.1}Hurt
use RUM instead of the strongest listed baselineGraph classification · PTCaccuracy: 68.2_{\pm 7.2} -> 69.8_{\pm 6.3}Helped
use RUM instead of the strongest listed baselineNode classification · Texasaccuracy: 77.6_{\pm 3.8} -> 80.0_{\pm 7.0}Helped
add topological walk representation ωu (ablation)RUM · Coraaccuracy: 82.2 \pm 1.0 -> 84.1_{\pm 0.9}Helped
add semantic walk representation ωx (ablation)RUM · Coraaccuracy: 35.0 \pm 1.0 -> 84.1_{\pm 0.9}Helped
add self-supervision loss Lself (ablation)RUM · Coraaccuracy: 78.4 \pm 0.1 -> 84.1_{\pm 0.9}Helped

Surprising findings

Limitations

Experimental setup

Datasets: Cora CiteSeer PubMed Coauthor CS Computer Photo TU datasets MoleculeNet OGB-PRODUCTS CSL Texas Wisconsin

Benchmarks: Cora CiteSeer PubMed Coauthor CS Computer Photo Texas Wisconsin Cornell IMDB-B MUTAG PROTEINS

Metrics: accuracy RMSE Dirichlet energy inference throughput memory

Baselines: GCN GAT GraphSAGE MoNet GCNII PairNorm GraphCON RAW-GNN CRaWl AgentNet GIN GSN

Builds on: GCN GAT Weisfeiler-Lehman isomorphism test anonymous walk embeddings GRU

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