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When and How to Canonize: A Generalization Perspective

arXiv 2605.11008 ↗First posted 10 May 2026cs.LG cs.AIcited by 0

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Abstract (arXiv)

While invariant architectures are standard for processing symmetric data, there is growing interest in achieving invariance by applying group averaging or canonization to non-invariant backbones. However, the theoretical generalization properties of these alternative strategies remain poorly understood. We introduce a theoretical framework to analyze the generalization error of these methods by bounding their covering numbers. We establish a rigorous generalization hierarchy: the error bounds of canonized models are at best equal to the error bounds of structurally invariant and group-averaged models, and at worst equal to the bounds of non-invariant baselines. Furthermore, we show that there exist optimal canonizations which attain the optimal error bounds, and poor canonizations which attain the non-invariant error bounds, and that this depends on the regularity of the canonization. Finally, applying this framework to permutation groups in point cloud processing, we rigorously prove that the covering number of lexicographical sorting grows exponentially with point cloud dimension, whereas Hilbert curve canonization guarantees polynomial growth. This provides the first formal theoretical justification for the empirical success of Hilbert curve serialization in state-of-the-art point cloud architectures. We conclude with experiments that support our theoretical claims. Code is available at https://github.com/yonatansverdlov/Canonization

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References · 20

  1. 2017Deep Setscited by 1,421
  2. 2023Point Transformer V3: Simpler, Faster, Strongercited by 589
  3. 2021Frame Averaging for Invariant and Equivariant Network Designcited by 168
  4. 2022Equivariance with Learned Canonicalization Functionscited by 109
  5. 2023Equivariant Architectures for Learning in Deep Weight Spacescited by 107
  6. 2017SMILES Enumeration as Data Augmentation for Neural Network Modeling of Moleculescited by 59
  7. 2023Approximation-Generalization Trade-offs under (Approximate) Group Equivariancecited by 46
  8. 2024Equivariant Frames and the Impossibility of Continuous Canonicalizationcited by 43
  9. 2021Provably Strict Generalisation Benefit for Invariance in Kernel Methodscited by 30
  10. 2024A Canonicalization Perspective on Invariant and Equivariant Learningcited by 27
  11. 2023Laplacian Canonization: A Minimalist Approach to Sign and Basis Invariant Spectral Embeddingcited by 21
  12. 2024Equivariance via Minimal Frame Averaging for More Symmetries and Efficiencycited by 19
8 more
  1. 2024Generalization Bounds for Message Passing Networks on Mixture of Graphonscited by 17
  2. 2025Survey on Generalization Theory for Graph Neural Networkscited by 16
  3. 2024Weisfeiler-Leman at the margin: When more expressivity matterscited by 13
  4. 2026Rethinking Diffusion Models with Symmetries through Canonicalization with Applications to Molecular Graph Generationcited by 7
  5. 2014Extensible grids: uniform sampling on a space-filling curvecited by 3
  6. 2025Spectral Graph Neural Networks are Incomplete on Graphs with a Simple Spectrumcited by 3
  7. 2025Adaptive Canonicalization with Application to Invariant Anisotropic Geometric Networkscited by 3
  8. 2025Random Search Neural Networks for Efficient and Expressive Graph Learningcited by 1

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