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