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A Topological Characterization of Graph Neural Networks via Stochastic Block Model Embeddings on the n-Sphere

arXiv 2606.07598 ↗First posted 29 May 2026cs.LG cs.AIcited by 0

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Abstract (arXiv)

We propose a topological framework for comparing trained Graph Neural Networks (GNNs) by mapping the Stochastic Block Models (SBMs) induced on the graphon-signal space of a Message Passing Neural Network (MPNN) onto the unit n-sphere spheren-1subsetRn. The construction rests on three classical pillars: the compactness of the cut-distance graphon space (Wo,cutdist) citeplovasz2006limits,lovasz2012large, the Frieze--Kannan weak regularity lemma together with its graphon-signal extension due to citetlevie2023graphon, and the Lipschitz continuity of MPNNs with respect to the cut-distance. We show that, for any prescribed tolerance varepsilon>0, a trained MPNN Phi acting on a sufficiently large graph factors (up to varepsilon) through a step-graphon-signal of bounded complexity, and we construct an explicit measure-preserving map Psincolon[0,1]→spheren-1 that places the SBM regions on disjoint spherical caps. This produces a problem-agnostic, low-dimensional ``fingerprint'' of a trained GNN that is amenable to visual inspection and to nearest-neighbour search across model zoos, enabling transfer-learning candidate retrieval without retraining. We discuss the obstruction posed by concentration of measure in high dimension -- a phenomenon directly relevant to LLM-scale embeddings. We close with five concrete future research directions: hyperbolic and Grassmannian alternatives to the spherical model, Gromov--Wasserstein distances on graphon-signals as an isometry-free alternative to the n-sphere map, an information-geometric (Fisher) reformulation of the SBM manifold, persistent-homology fingerprints of layer-wise embedding clouds, and a spectral-distance baseline derived from the graphon eigendecomposition.

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References · 17

  1. 2016Semi-Supervised Classification with Graph Convolutional Networkscited by 11,282
  2. 2017Graph Attention Networkscited by 8,854
  3. 2018How Powerful are Graph Neural Networks?cited by 4,355
  4. 2017Neural Message Passing for Quantum Chemistrycited by 3,460
  5. 2019Strategies for Pre-training Graph Neural Networkscited by 964
  6. 2017Poincar'e Embeddings for Learning Hierarchical Representationscited by 674
  7. 2018Invariant and Equivariant Graph Networkscited by 339
  8. 2018Representation Tradeoffs for Hyperbolic Embeddingscited by 204
  9. 2019Gromov-Wasserstein Learning for Graph Matching and Node Embeddingcited by 125
  10. 2020Graphon Neural Networks and the Transferability of Graph Neural Networkscited by 117
  11. 2019Scalable Gromov-Wasserstein Learning for Graph Partitioning and Matchingcited by 102
  12. 2022Generalization Analysis of Message Passing Neural Networks on Large Random Graphscited by 58
5 more
  1. 2023A graphon-signal analysis of graph neural networkscited by 29
  2. 2019On the Transferability of Spectral Graph Filterscited by 27
  3. 2023Fine-grained Expressivity of Graph Neural Networkscited by 25
  4. 2021Learning by Transference: Training Graph Neural Networks on Growing Graphscited by 22
  5. 2024Generalization, Expressivity, and Universality of Graph Neural Networks on Attributed Graphscited by 13

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