Equivariant Frames and the Impossibility of Continuous Canonicalization
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Abstract (arXiv)
Canonicalization provides an architecture-agnostic method for enforcing equivariance, with generalizations such as frame-averaging recently gaining prominence as a lightweight and flexible alternative to equivariant architectures. Recent works have found an empirical benefit to using probabilistic frames instead, which learn weighted distributions over group elements. In this work, we provide strong theoretical justification for this phenomenon: for commonly-used groups, there is no efficiently computable choice of frame that preserves continuity of the function being averaged. In other words, unweighted frame-averaging can turn a smooth, non-symmetric function into a discontinuous, symmetric function. To address this fundamental robustness problem, we formally define and construct weighted frames, which provably preserve continuity, and demonstrate their utility by constructing efficient and continuous weighted frames for the actions of SO(2), SO(3), and Sn on point clouds.
Key facts. Cited by 41 papers in the map (data through 7 Oct 2026). Builds on 21 of its 29 references that are in the map. First posted on arXiv 25 Feb 2024.
Builds on
21 of 29 references.
References · 21
- 2021E(n) Equivariant Graph Neural Networkscited by 951
- 2021E(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentialscited by 701
- 2022DiffDock: Diffusion Steps, Twists, and Turns for Molecular Dockingcited by 307
- 2023EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representationscited by 201
- 2021Frame Averaging for Invariant and Equivariant Network Designcited by 166
- 2018Universal approximations of invariant maps by neural networkscited by 127
- 2023Reducing SO(3) Convolutions to SO(2) for Efficient Equivariant GNNscited by 113
- 2022Understanding and Extending Subgraph GNNs by Rethinking Their Symmetriescited by 112
- 2022Equivariance with Learned Canonicalization Functionscited by 106
- 2021Learning with invariances in random features and kernel modelscited by 89
- 2021SE(3) Equivariant Graph Neural Networks with Complete Local Framescited by 75
- 2023FAENet: Frame Averaging Equivariant GNN for Materials Modelingcited by 72
9 more
- 2019FSPool: Learning Set Representations with Featurewise Sort Poolingcited by 53
- 2023A new perspective on building efficient and expressive 3D equivariant graph neural networkscited by 46
- 2023Equivariant Adaptation of Large Pretrained Modelscited by 40
- 2023Smooth, exact rotational symmetrization for deep learning on point cloudscited by 39
- 2023Neural Injective Functions for Multisets, Measures and Graphs via a Finite Witness Theoremcited by 33
- 2022Equivariant Point Cloud Analysis via Learning Orientations for Message Passingcited by 32
- 2021Provably Strict Generalisation Benefit for Invariance in Kernel Methodscited by 29
- 2023Learning Probabilistic Symmetrization for Architecture Agnostic Equivariancecited by 25
- 2018Learning Representations of Sets through Optimized Permutationscited by 15
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Citing papers per year: 2024: 8; 2025: 19; 2026: 14.
41 papers.
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- 2024A Canonicalization Perspective on Invariant and Equivariant Learningcited by 25
- 2024Lie Algebra Canonicalization: Equivariant Neural Operators under arbitrary Lie Groupscited by 23
- 2024Learning on LoRAs: GL-Equivariant Processing of Low-Rank Weight Spaces for Large Finetuned Modelscited by 21
- 2024Equivariance via Minimal Frame Averaging for More Symmetries and Efficiencycited by 18
- 2025Improving Equivariant Networks with Probabilistic Symmetry Breakingcited by 15
- 2024Probing the effects of broken symmetries in machine learningcited by 13
- 2025Lorentz Local Canonicalization: How to Make Any Network Lorentz-Equivariantcited by 12
- 2025Achieving Approximate Symmetry Is Exponentially Easier than Exact Symmetrycited by 6
- 2025Learning with Exact Invariances in Polynomial Timecited by 5
- 2025Efficient Prediction of SO(3)-Equivariant Hamiltonian Matrices via SO(2) Local Framescited by 5
- 2025Learning Inter-Atomic Potentials without Explicit Equivariancecited by 5
- 2026Rethinking Diffusion Models with Symmetries through Canonicalization with Applications to Molecular Graph Generationcited by 5
29 more
- 2025On Universality Classes of Equivariant Networkscited by 4
- 2025Bi-Lipschitz Ansatz for Anti-Symmetric Functionscited by 3
- 2025Spectral Graph Neural Networks are Incomplete on Graphs with a Simple Spectrumcited by 3
- 2025Scalable Non-Equivariant 3D Molecule Generation via Rotational Alignmentcited by 3
- 2025Adaptive Canonicalization with Application to Invariant Anisotropic Geometric Networkscited by 3
- 2025InertialAR: Autoregressive 3D Molecule Generation with Inertial Framescited by 3
- 2026Data Augmentation: A Fourier Analysis Perspectivecited by 3
- 2025Representing spherical tensors with scalar-based machine-learning modelscited by 2
- 2025CP2: Leveraging Geometry for Conformal Prediction via Canonicalizationcited by 2
- 2026Inverting Data Transformations via Diffusion Samplingcited by 2
- 2026Efficient Learning and Symmetry Discovery under Exact Invariancescited by 2
- 2025Diagonal Symmetrization of Neural Network Solvers for the Many-Electron Schr"odinger Equationcited by 1
- 2025Tensor Decomposition Networks for Fast Machine Learning Interatomic Potential Computationscited by 1
- 2025Can Data-Driven Dynamics Reveal Hidden Physics? There Is A Need for Interpretable Neural Operatorscited by 1
- 2025On Uncertainty Calibration for Equivariant Functionscited by 1
- 2026Quantitative Approximation Rates for Group Equivariant Learningcited by 1
- 2024Approximating invariant functions with the sorting trick is theoretically justifiedcited by 0
- 2024Improving Molecular Modeling with Geometric GNNs: an Empirical Studycited by 0
- 2024SymDiff: Equivariant Diffusion via Stochastic Symmetrisationcited by 0
- 2025CrystalFramer: Rethinking the Role of Frames for SE(3)-Invariant Crystal Structure Modelingcited by 0
- 2026Efficient Equivariant High-Order Crystal Tensor Prediction via Cartesian Local-Environment Many-Body Couplingcited by 0
- 2026Diffeomorphism-Equivariant Neural Networkscited by 0
- 2026When and How to Canonize: A Generalization Perspectivecited by 0
- 2026PACE-FNO: Physics-Aligned Canonical Equivariance for Fourier Neural Operatorscited by 0
- 2026Weisfeiler-Leman Is Incomplete on Simple Spectrum Graphs, so Canonicalize Themcited by 0
- 2026Zero-Shot Test-Time Canonicalization using Out-of-Distribution Scoringcited by 0
- 2026Rotational Equivariance in Machine Learning: A Comprehensive Tutorialcited by 0
- 2026Sparse Data Augmentation for Optimization with Provable Guaranteescited by 0
- 2026GLASS: Global Latent Aggregation with Slot-based Set Decoding for Scalable All-Atom Crystal Generationcited by 0
- 2026GLASS: Global Latent Aggregation with Slot-based Set Decoding for Scalable All-Atom Crystal Generation29 Sep 2026
- 2026Sparse Data Augmentation for Optimization with Provable Guarantees8 Sep 2026
- 2026Efficient Learning and Symmetry Discovery under Exact Invariances7 Sep 2026
- 2026Rotational Equivariance in Machine Learning: A Comprehensive Tutorial31 Aug 2026
- 2026Data Augmentation: A Fourier Analysis Perspective23 Jun 2026
- 2026Zero-Shot Test-Time Canonicalization using Out-of-Distribution Scoring23 Jun 2026
- 2026Weisfeiler-Leman Is Incomplete on Simple Spectrum Graphs, so Canonicalize Them22 May 2026
- 2026PACE-FNO: Physics-Aligned Canonical Equivariance for Fourier Neural Operators18 May 2026
- 2026When and How to Canonize: A Generalization Perspective10 May 2026
- 2026Quantitative Approximation Rates for Group Equivariant Learning23 Feb 2026
- 2026Rethinking Diffusion Models with Symmetries through Canonicalization with Applications to Molecular Graph Generation16 Feb 2026
- 2026Inverting Data Transformations via Diffusion Sampling9 Feb 2026
29 more
- 2026Diffeomorphism-Equivariant Neural Networks6 Feb 2026
- 2026Efficient Equivariant High-Order Crystal Tensor Prediction via Cartesian Local-Environment Many-Body Coupling4 Feb 2026
- 2025Achieving Approximate Symmetry Is Exponentially Easier than Exact Symmetry5 Dec 2025
- 2025InertialAR: Autoregressive 3D Molecule Generation with Inertial Frames31 Oct 2025
- 2025On Uncertainty Calibration for Equivariant Functions24 Oct 2025
- 2025Can Data-Driven Dynamics Reveal Hidden Physics? There Is A Need for Interpretable Neural Operators3 Oct 2025
- 2025Adaptive Canonicalization with Application to Invariant Anisotropic Geometric Networks29 Sep 2025
- 2025Learning Inter-Atomic Potentials without Explicit Equivariance25 Sep 2025
- 2025Tensor Decomposition Networks for Fast Machine Learning Interatomic Potential Computations1 Jul 2025
- 2025CP2: Leveraging Geometry for Conformal Prediction via Canonicalization19 Jun 2025
- 2025Scalable Non-Equivariant 3D Molecule Generation via Rotational Alignment11 Jun 2025
- 2025Efficient Prediction of SO(3)-Equivariant Hamiltonian Matrices via SO(2) Local Frames11 Jun 2025
- 2025Spectral Graph Neural Networks are Incomplete on Graphs with a Simple Spectrum5 Jun 2025
- 2025On Universality Classes of Equivariant Networks2 Jun 2025
- 2025Lorentz Local Canonicalization: How to Make Any Network Lorentz-Equivariant26 May 2025
- 2025Representing spherical tensors with scalar-based machine-learning models8 May 2025
- 2025Improving Equivariant Networks with Probabilistic Symmetry Breaking27 Mar 2025
- 2025Bi-Lipschitz Ansatz for Anti-Symmetric Functions6 Mar 2025
- 2025CrystalFramer: Rethinking the Role of Frames for SE(3)-Invariant Crystal Structure Modeling4 Mar 2025
- 2025Learning with Exact Invariances in Polynomial Time27 Feb 2025
- 2025Diagonal Symmetrization of Neural Network Solvers for the Many-Electron Schr"odinger Equation7 Feb 2025
- 2024SymDiff: Equivariant Diffusion via Stochastic Symmetrisation8 Oct 2024
- 2024Learning on LoRAs: GL-Equivariant Processing of Low-Rank Weight Spaces for Large Finetuned Models5 Oct 2024
- 2024Lie Algebra Canonicalization: Equivariant Neural Operators under arbitrary Lie Groups3 Oct 2024
- 2024Improving Molecular Modeling with Geometric GNNs: an Empirical Study11 Jul 2024
- 2024Probing the effects of broken symmetries in machine learning25 Jun 2024
- 2024Equivariance via Minimal Frame Averaging for More Symmetries and Efficiency11 Jun 2024
- 2024A Canonicalization Perspective on Invariant and Equivariant Learning28 May 2024
- 2024Approximating invariant functions with the sorting trick is theoretically justified4 Mar 2024
- 2026Rethinking Diffusion Models with Symmetries through Canonicalization with Applications to Molecular Graph Generationcited by 5
- 2025Scalable Non-Equivariant 3D Molecule Generation via Rotational Alignmentcited by 3
- 2026Inverting Data Transformations via Diffusion Samplingcited by 2
- 2024SymDiff: Equivariant Diffusion via Stochastic Symmetrisationcited by 0
- 2026Rethinking Diffusion Models with Symmetries through Canonicalization with Applications to Molecular Graph Generation16 Feb 2026
- 2026Inverting Data Transformations via Diffusion Sampling9 Feb 2026
- 2025Scalable Non-Equivariant 3D Molecule Generation via Rotational Alignment11 Jun 2025
- 2024SymDiff: Equivariant Diffusion via Stochastic Symmetrisation8 Oct 2024
- 2024A Canonicalization Perspective on Invariant and Equivariant Learningcited by 25
- 2024Lie Algebra Canonicalization: Equivariant Neural Operators under arbitrary Lie Groupscited by 23
- 2024Learning on LoRAs: GL-Equivariant Processing of Low-Rank Weight Spaces for Large Finetuned Modelscited by 21
- 2024Equivariance via Minimal Frame Averaging for More Symmetries and Efficiencycited by 18
- 2025Improving Equivariant Networks with Probabilistic Symmetry Breakingcited by 15
- 2024Probing the effects of broken symmetries in machine learningcited by 13
- 2025Lorentz Local Canonicalization: How to Make Any Network Lorentz-Equivariantcited by 12
- 2025Achieving Approximate Symmetry Is Exponentially Easier than Exact Symmetrycited by 6
- 2025Learning with Exact Invariances in Polynomial Timecited by 5
- 2025Efficient Prediction of SO(3)-Equivariant Hamiltonian Matrices via SO(2) Local Framescited by 5
- 2025Learning Inter-Atomic Potentials without Explicit Equivariancecited by 5
- 2025On Universality Classes of Equivariant Networkscited by 4
12 most cited of 37 All 37 (JSON)
- 2026GLASS: Global Latent Aggregation with Slot-based Set Decoding for Scalable All-Atom Crystal Generation29 Sep 2026
- 2026Sparse Data Augmentation for Optimization with Provable Guarantees8 Sep 2026
- 2026Efficient Learning and Symmetry Discovery under Exact Invariances7 Sep 2026
- 2026Rotational Equivariance in Machine Learning: A Comprehensive Tutorial31 Aug 2026
- 2026Data Augmentation: A Fourier Analysis Perspective23 Jun 2026
- 2026Zero-Shot Test-Time Canonicalization using Out-of-Distribution Scoring23 Jun 2026
- 2026Weisfeiler-Leman Is Incomplete on Simple Spectrum Graphs, so Canonicalize Them22 May 2026
- 2026PACE-FNO: Physics-Aligned Canonical Equivariance for Fourier Neural Operators18 May 2026
- 2026When and How to Canonize: A Generalization Perspective10 May 2026
- 2026Quantitative Approximation Rates for Group Equivariant Learning23 Feb 2026
- 2026Diffeomorphism-Equivariant Neural Networks6 Feb 2026
- 2026Efficient Equivariant High-Order Crystal Tensor Prediction via Cartesian Local-Environment Many-Body Coupling4 Feb 2026
12 newest of 37 All 37 (JSON)