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Graph Mixup on Approximate Gromov–Wasserstein Geodesics

ICML 2024 · Graph learning › Graph algorithms and clustering · approach: Graph embedding and spectral sparsification

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Proposes GEOMIX, a graph mixup method that interpolates graphs along (approximate) Gromov-Wasserstein geodesics via equivalence-preserving transformations, ensuring sample-label consistency and improving GNN generalization and robustness.

Problem

Graph mixup methods use practical interpolations that are not equivalence-preserving, so generated graph samples can have labels inconsistent with their structure; the paper asks what interpolation guarantees sample-label consistency for graph data.

Approach

Defines sample-label consistency via GW distance, shows that linear interpolation of GW-aligned equivalence-preserving transformed graphs (Kronecker-product lifting) yields an exact GW geodesic, and approximates this with a low-rank GW factorization of the coupling with a tunable mixup graph size r, solved by mirror descent with Dykstra projections.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Use GEOMIX instead of G-MixupGCN · PROTEINSaccuracy: 63.6±3.5 -> 70.2±4.7Helped
Use GEOMIX instead of SubMixGCN · MUTAGaccuracy: 73.5±7.1 -> 76.1±5.5Helped
Use GEOMIX instead of FGWMixupGCN · MSRC-9accuracy: 89.6±3.9 -> 90.3±2.9Helped
Use GEOMIX instead of G-MixupGCN · IMDB-Baccuracy: 72.2±2.4 -> 72.0±4.3Hurt
Use GEOMIX instead of S-MixupGCN · IMDB-Maccuracy: 48.5±2.0 -> 49.3±5.5Helped
Use GEOMIX instead of M-MixupGIN · PROTEINSaccuracy: 70.4±6.1 -> 71.3±3.7Helped
Use GEOMIX instead of SubgraphGIN · MUTAGaccuracy: 75.0±7.6 -> 80.8±6.2Helped
Use GEOMIX instead of DropNodeGIN · MSRC-9accuracy: 91.8±4.9 -> 92.8±3.6Helped
Use GEOMIX instead of M-MixupGIN · IMDB-Baccuracy: 71.7±3.6 -> 72.1±2.9Helped
Use GEOMIX instead of G-MixupGIN · IMDB-Maccuracy: 47.0±4.1 -> 46.9±4.9Hurt
Vary the mixup graph size r (ablation)GEOMIX · graph classification datasetsaccuracy: ±3%No clear effect

Surprising findings

Limitations

Experimental setup

Datasets: PROTEINS MUTAG MSRC-9 IMDB-B IMDB-M

Benchmarks: PROTEINS MUTAG MSRC-9 IMDB-B IMDB-M

Metrics: classification accuracy Pearson correlation for sample-label consistency running time

Baselines: DropEdge DropNode Subgraph M-Mixup SubMix G-Mixup S-Mixup FGWMixup

Builds on: Mixup G-Mixup low-rank Gromov-Wasserstein FGWMixup M-Mixup

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