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Pure Message Passing Can Estimate Common Neighbor for Link Prediction

NeurIPS 2024 · Graph learning › GNN architectures · approach: Graph rewiring and scalable message passing · 4 citations (OpenAlex)

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Shows that pure message passing over quasi-orthogonal random node signatures can estimate common-neighbor and higher-order structural link features, and proposes MPLP/MPLP+ link predictors that outperform GNN and link-level baselines on 15 benchmarks.

Problem

MPNNs often fail to match simple heuristics like Common Neighbor for link prediction because node-level permutation-invariant representations cannot encode joint structural features of a node pair.

Approach

Use sum-aggregation message passing over random quasi-orthogonal vectors (with one-hot hubs for variance reduction and norm rescaling) so that the inner product of two nodes' signatures unbiasedly estimates CN and distance-labelled structural counts, combined with GNN node embeddings for link classification.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Use MPLP instead of SEALLink prediction · C.eleHits@50: 64.80 ± 4.23 -> 74.28 ± 2.09Helped
Use MPLP instead of NCNCLink prediction · ComputersHits@50: 36.48 ± 4.16 -> 43.47 ± 3.61Helped
Use MPLP instead of NCNCLink prediction · PhotoHits@50: 47.98 ± 2.36 -> 58.08 ± 3.68Helped
Use MPLP+ walk-level features instead of MPLP node-level structural features (ablation)MPLP · USAir, NS, PB, Yeast, C.ele, Power, Router, E.coliHits@50Mixed
Replace original node attributes with random vectors (ablation)GCN · ComputersHits@50: 22.95 ± 10.58 -> 35.86 ± 3.17Helped
Replace original node attributes with random vectors (ablation)GCN · PhotoHits@50: 28.14 ± 7.81 -> 46.84 ± 2.53Helped
Replace original node attributes with random vectors (ablation)GCN · CSHits@50: 66.00 ± 2.90 -> 51.67 ± 2.70Hurt
Replace original node attributes with random vectors (ablation)GCN · CollabHits@50: 35.53 ± 2.39 -> 17.25 ± 1.15Hurt
Increase random feature dimension from 1000 to 10000 (ablation)GCN · CSHits@50: 3.73 ± 1.44 -> 55.91 ± 2.63Helped
Increase random feature dimension from 1000 to 10000 (ablation)GCN · PhysicsHits@50: 49.28 ± 2.74 -> 71.88 ± 3.29Helped
Increase random feature dimension from 1000 to 10000 (ablation)GCN · ComputersHits@50: 36.92 ± 3.36 -> 45.26 ± 1.94Helped
Increase random feature dimension from 1000 to 10000 (ablation)GCN · PhotoHits@50: 48.72 ± 3.84 -> 58.12 ± 2.54Helped

Surprising findings

Limitations

Experimental setup

Datasets: USAir NS PB Yeast C.ele Power Router E.coli CS Physics Computers Photo

Benchmarks: USAir NS PB Yeast C.ele Power Router E.coli CS Physics Computers Photo

Metrics: Hits@50 Hits@100 MRR Hits@20 MSE

Baselines: CN AA RA GCN SAGE SEAL Neo-GNN ELPH NCNC BUDDY

Builds on: DotHash ELPH SEAL Distance Encoding Neo-GNN

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