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Graph Persistence goes Spectral
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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
- SpectRe separates all minimal Cayley graphs (accuracy 1.00 on c-12 to c-63), while RePHINE reaches at most 0.95.
- On BREC, SpectRe reaches 1.00 on Basic, Regular and Extension subsets and 0.54 overall versus 0.41 for RePHINE.
- With GCN on real data, SpectRe achieves the best mean accuracy on 8 of 9 datasets, e.g., MUTAG 91.2 vs 87.7 for RePHINE.
Measured effects reported in the paper
| What was changed | Where | Measured | Effect |
|---|---|---|---|
| Add evolving graph-Laplacian spectra to RePHINE to form SpectRe | RePHINE · Cayley graphs c-12 through c-63 | accuracy: 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, 1.00 | Helped |
| Add evolving graph-Laplacian spectra to RePHINE to form SpectRe | RePHINE · BREC E (100) | accuracy: 0.55 -> 1.00 | Helped |
| Add evolving graph-Laplacian spectra to RePHINE to form SpectRe | RePHINE · BREC All (400) | accuracy: 0.41 -> 0.54 | Helped |
| Add evolving graph-Laplacian spectra to RePHINE to form SpectRe | RePHINE · BREC C (100) | accuracy: 0.03 -> 0.04 | Helped |
| Add evolving graph-Laplacian spectra to RePHINE to form SpectRe | RePHINE · BREC D (20) | accuracy: 0.00 -> 0.05 | Helped |
| Add evolving graph-Laplacian spectra to RePHINE to form SpectRe | RePHINE · 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 -> 0.54 | Helped |
| Add SpectRe diagrams to GCN | GCN · MUTAG | accuracy: 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 diagrams | GCN · PTC-MM | accuracy: 57.8{\color{gray} $\pm$1.6} -> 61.7{\color{gray} $\pm$2.9} | Helped |
| Replace RePHINE diagrams with SpectRe diagrams | GCN · PTC-MR | accuracy: 58.1{\color{gray} $\pm$11.9} -> 59.1{\color{gray} $\pm$5.9} | Mixed |
| Replace RePHINE diagrams with SpectRe diagrams | GCN · PTC-FR | accuracy: 68.5{\color{gray} $\pm$6.4} -> 69.4{\color{gray} $\pm$2.8} | Mixed |
| Replace RePHINE diagrams with SpectRe diagrams | GCN · NCI1 | accuracy: 80.66{\color{gray} $\pm$1.55} -> 80.90{\color{gray} $\pm$0.17} | Mixed |
| Replace RePHINE diagrams with SpectRe diagrams | GCN · NCI109 | accuracy: 76.51{\color{gray} $\pm$1.03} -> 76.63{\color{gray} $\pm$0.86} | Mixed |
Surprising findings
- SpectRe is not globally stable even under injectivity assumptions; only local stability holds.
Limitations
- Eigendecomposition overhead is non-negligible and can bottleneck large datasets.
- Only color-based (degree and curvature) filtrations studied; Vietoris-Rips and biparameter filtrations left open.
- SpectRe is not globally stable; only local stability under injectivity holds.
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
Closest papers by meaning
- On topological descriptors for graph products (NeurIPS 2025 · similarity 0.90)
- Boosting Graph Pooling with Persistent Homology (NeurIPS 2024 · similarity 0.88)
- Homomorphism Expressivity of Spectral Invariant Graph Neural Networks (ICLR 2025 · similarity 0.88)
- Positional Encoding meets Persistent Homology on Graphs (ICML 2025 · similarity 0.88)
- TopInG: Topologically Interpretable Graph Learning via Persistent Rationale Filtration (ICML 2025 · similarity 0.87)
- TopoGCL: Topological Graph Contrastive Learning (AAAI 2024 · similarity 0.87)
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