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Graph Persistence goes Spectral

NeurIPS 2025 · Graph learning › GNN architectures · approach: Substructure-aware GNN expressivity · 0 citations (OpenAlex)

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Proposes SpectRe, a persistent-homology descriptor that adds graph Laplacian spectra to RePHINE diagrams, proving it is strictly more expressive than RePHINE and the Laplacian spectrum, introducing bottleneck-type metrics, and showing SpectRe is locally (not globally) stable.

Problem

Existing color-based persistent homology descriptors for graphs (PH, RePHINE) cannot separate simple non-isomorphic graphs, e.g., monochromatic ones, and lack a suitable stability theory.

Approach

Augment each RePHINE persistence tuple with the non-zero Laplacian eigenvalues of the connected component at its death (vertices) or birth (cycles), giving a descriptor strictly more expressive than both RePHINE and the Laplacian spectrum; define bottleneck-type metrics and prove global stability for RePHINE and local stability for SpectRe.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Add evolving graph-Laplacian spectra to RePHINE to form SpectReRePHINE · Cayley graphs c-12 through c-63accuracy: RePHINE: 0.95, 0.83, 0.61, 0.86, 0.76, 0.84, 0.78, 0.73 -> SpectRe: 1.00, 1.00, 1.00, 1.00, 1.00, 1.00, 1.00, 1.00Helped
Add evolving graph-Laplacian spectra to RePHINE to form SpectReRePHINE · BREC E (100)accuracy: 0.55 -> 1.00Helped
Add evolving graph-Laplacian spectra to RePHINE to form SpectReRePHINE · BREC All (400)accuracy: 0.41 -> 0.54Helped
Add evolving graph-Laplacian spectra to RePHINE to form SpectReRePHINE · BREC C (100)accuracy: 0.03 -> 0.04Helped
Add evolving graph-Laplacian spectra to RePHINE to form SpectReRePHINE · BREC D (20)accuracy: 0.00 -> 0.05Helped
Add evolving graph-Laplacian spectra to RePHINE to form SpectReRePHINE · BREC B (60), R (50), E (100), C (100), D (20), and All (400)accuracy: 0.98 -> 1.00; 0.94 -> 1.00; 0.55 -> 1.00; 0.03 -> 0.04; 0.00 -> 0.05; 0.41 -> 0.54Helped
Add SpectRe diagrams to GCNGCN · MUTAGaccuracy: GCN: 63.2{\color{gray} $\pm$4.7}; RePHINE: 87.7{\color{gray} $\pm$3.0}; SpectRe: 91.2{\color{gray} $\pm$3.0}Helped
Replace RePHINE diagrams with SpectRe diagramsGCN · PTC-MMaccuracy: 57.8{\color{gray} $\pm$1.6} -> 61.7{\color{gray} $\pm$2.9}Helped
Replace RePHINE diagrams with SpectRe diagramsGCN · PTC-MRaccuracy: 58.1{\color{gray} $\pm$11.9} -> 59.1{\color{gray} $\pm$5.9}Mixed
Replace RePHINE diagrams with SpectRe diagramsGCN · PTC-FRaccuracy: 68.5{\color{gray} $\pm$6.4} -> 69.4{\color{gray} $\pm$2.8}Mixed
Replace RePHINE diagrams with SpectRe diagramsGCN · NCI1accuracy: 80.66{\color{gray} $\pm$1.55} -> 80.90{\color{gray} $\pm$0.17}Mixed
Replace RePHINE diagrams with SpectRe diagramsGCN · NCI109accuracy: 76.51{\color{gray} $\pm$1.03} -> 76.63{\color{gray} $\pm$0.86}Mixed

Surprising findings

Limitations

Experimental setup

Datasets: Minimal Cayley graphs BREC MUTAG PTC-MM PTC-MR PTC-FR NCI1 NCI109 IMDB-B ZINC MOLHIV

Benchmarks: Minimal Cayley graphs BREC MUTAG PTC-MM PTC-MR PTC-FR NCI1 NCI109 IMDB-B ZINC MOLHIV

Metrics: accuracy MAE AUROC

Baselines: PH^0 PH^1 RePHINE Laplacian spectrum GCN

Builds on: RePHINE persistent homology on graphs DeepSets GCN

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