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Provably Powerful Graph Neural Networks for Directed Multigraphs

AAAI 2024 · Graph learning › GNN architectures · approach: Expressive equivariant message passing · 28 citations (OpenAlex)

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Shows that GIN-style MPNNs augmented with reverse message passing, directed multigraph port numbering, and ego IDs can detect any directed subgraph pattern, and validates this on synthetic subgraph tasks and two financial crime datasets (AML and Ethereum phishing).

Problem

Standard message-passing GNNs cannot detect many directed subgraph patterns (e.g., cycles, fan-in/out, scatter-gather, bicliques) and are not designed for directed multigraphs such as financial transaction networks.

Approach

Combine three simple adaptations for MPNNs: reverse message passing (separate in/out aggregation), multigraph port numbering that attaches port numbers in both directions as edge features, and ego IDs; prove that together they let a GNN assign unique node IDs and so detect any directed subgraph pattern.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Add reverse message passing to GIN (ablation)GIN · Synthetic degree-outminority-class F1: 43.58 -> 99.08Helped
Add port numbering alone to GIN (ablation)GIN · Synthetic fan-inminority-class F1: 95.57 -> 99.59Helped
Add reverse message passing and port numbering to GIN (ablation)GIN · Synthetic fan-outminority-class F1: 35.91 -> 99.16Helped
Add ego IDs to reverse message passing and port numbering (ablation)GIN · Synthetic scatter-gatherminority-class F1: 67.84 -> 97.42Helped
Add ego IDs alone (ablation)GIN · Synthetic directed 6-cycleminority-class F1: 48.59 -> 45.42No clear effect
Add reverse message passing, port numbering, and ego IDs (ablation)GIN · AML Small HIminority-class F1: 28.70 -> 57.15Helped
Add reverse message passing and port numbering (ablation)GIN · AML Small HIminority-class F1: 28.70 -> 56.85Helped
Add ego IDs to reverse message passing and port numbering (ablation)GIN · AML Small HIminority-class F1: 56.85 -> 57.15No clear effect
Add reverse message passing, port numbering, and ego IDs (ablation)GIN · ETHminority-class F1: 26.92 -> 42.86Helped
Add all three adaptations and edge updates to PNA (ablation)PNA · ETHminority-class F1: 51.49 -> 66.58Helped
Add edge updates to Multi-PNA (ablation)PNA with all three adaptations · AML Small HIminority-class F1: 64.59 -> 68.16Helped
Add edge updates to Multi-PNA (ablation)PNA with all three adaptations · ETHminority-class F1: 65.28 -> 66.58Helped

Surprising findings

Limitations

Experimental setup

Datasets: Synthetic random circulant graph pattern detection IBM AML simulated transaction datasets (Small/Medium, HI/LI) Ethereum phishing transaction network (Kaggle, enhanced with Ethereum ETL) Chameleon Squirrel Arxiv-Year

Benchmarks: Synthetic subgraph detection tasks AML Small HI AML Small LI AML Medium HI AML Medium LI ETH phishing

Metrics: minority class F1

Baselines: GIN GAT PNA GIN+EU R-GCN XGBoost+GFs LightGBM+GFs ID-GNN (GIN+EgoIDs) CPNGNN (GIN+Ports)

Builds on: GIN port numbering ego IDs (ID-GNN) reverse message passing (relational GNN) edge updates

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