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Equivariant Frames and the Impossibility of Continuous Canonicalization

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arxiv 2402.16077 v2 pith:XUODVC4R submitted 2024-02-25 cs.LG

classification cs.LG
keywords framesfunctionweightedcanonicalizationcontinuitycontinuousequivariantframe-averaging
verification ladder T0 review T1 audit T2 compute T3 formal
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abstract

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 \emph{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 $S_n$ on point clouds.

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Cited by 3 Pith papers

Reviewed papers in the Pith corpus that reference this work. Sorted by Pith novelty score. Full citation record

  1. Efficient Prediction of SO(3)-Equivariant Hamiltonian Matrices via SO(2) Local Frames

    cs.LG 2025-06 conditional novelty 6.0 of 10

    By performing all feature updates in SO(2) local frames, QHNetV2 achieves SO(3)-equivariant Hamiltonian prediction without Clebsch-Gordan tensor products, with a 4.34x speedup and improved accuracy on QH9 and most MD17 tasks.

  2. Equivariant Eikonal Neural Networks: Grid-Free, Scalable Travel-Time Prediction on Homogeneous Spaces

    cs.LG 2025-05 conditional novelty 6.0 of 10

    E-NES uses Lie-group point-cloud conditioning and equivariant neural fields to make grid-free eikonal travel-time prediction steerable under rotations and translations, with complete invariant features and competitive...

  3. Diagonal Symmetrization of Neural Network Solvers for the Many-Electron Schr\"odinger Equation

    cs.LG 2025-02 accept novelty 6.0 of 10

    Post hoc averaging a trained neural wavefunction over diagonal crystal symmetries improves VMC energies and symmetry, while in-training symmetrization at fixed compute can inflate gradient variance.

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