Scalars are universal: Equivariant machine learning, structured like classical physics
Soledad Villar, David W. Hogg, Kate Storey-Fisher, Weichi Yao, Ben Blum-Smith
Abstract
There has been enormous progress in the last few years in designing neural networks that respect the fundamental symmetries and coordinate freedoms of physical law. Some of these frameworks make use of irreducible representations, some make use of high-order tensor objects, and some apply symmetry-enforcing constraints. Different physical laws obey different combinations of fundamental symmetries, but a large fraction (possibly all) of classical physics is equivariant to translation, rotation, reflection (parity), boost (relativity), and permutations. Here we show that it is simple to parameterize universally approximating polynomial functions that are equivariant under these symmetries, or under the Euclidean, Lorentz, and Poincaré groups, at any dimensionality . The key observation is that nonlinear O()-equivariant (and related-group-equivariant) functions can be universally expressed in terms of a lightweight collection of scalars -- scalar products and scalar contractions of the scalar, vector, and tensor inputs. We complement our theory with numerical examples that show that the scalar-based method is simple, efficient, and scalable.
Ask about this paper
Your agent reads all of it.
Lune indexed this paper to the last equation, along with the top-tier papers that cite it. Ask a question and the answer quotes them.
Your agent calls
Luneget_paper_fulltext
Free to start. No credit card required.
Terminal
Install the CLIlune papers fulltext ab77c056-1823-4b43-a418-ec985ab9ef28Cited by top-tier papers56
- GemNet: Universal Directional Graph Neural Networks for MoleculesJohannes Gasteiger, Florian Becker, Stephan GünnemannNeurIPS 2021 · 665 citations
- On the Expressive Power of Geometric Graph Neural NetworksChaitanya K. Joshi, Cristian Bodnar, Simon V. Mathis, Taco Cohen et al.ICML 2023 · 125 citations
- Equivariance with Learned Canonicalization FunctionsSékou-Oumar Kaba, Arnab Kumar Mondal, Yan Zhang, Yoshua Bengio et al.ICML 2023 · 109 citations
- Learning Physical Dynamics with Subequivariant Graph Neural NetworksJiaqi Han, Wenbing Huang, Hengbo Ma, Jiachen Li et al.NeurIPS 2022 · 72 citations
- Lorentz-Equivariant Geometric Algebra Transformers for High-Energy PhysicsJonas Spinner, Victor Bresó, Pim de Haan, Tilman Plehn et al.NeurIPS 2024 · 65 citations
Builds on15
- E(n) Equivariant Graph Neural NetworksVictor Garcia Satorras, Emiel Hoogeboom, Max WellingICML 2021 · 1,432 citations
- SE(3)-Transformers: 3D Roto-Translation Equivariant Attention NetworksFabian Fuchs, Daniel E. Worrall, Volker Fischer, Max WellingNeurIPS 2020 · 1,025 citations
- Equivariant message passing for the prediction of tensorial properties and molecular spectraKristof Schütt, Oliver T. Unke, Michael GasteggerICML 2021 · 736 citations
- GemNet: Universal Directional Graph Neural Networks for MoleculesJohannes Gasteiger, Florian Becker, Stephan GünnemannNeurIPS 2021 · 665 citations
- Can Graph Neural Networks Count Substructures?Zhengdao Chen, Lei Chen, Soledad Villar, Joan BrunaNeurIPS 2020 · 392 citations
Related papers
- Lorentz Group Equivariant Neural Network for Particle PhysicsAlexander Bogatskiy, Brandon M. Anderson, Jan T. Offermann, Marwah Roussi et al.ICML 2020 · 164 citations
- Clifford Group Equivariant Neural NetworksDavid Ruhe, Johannes Brandstetter, Patrick ForréNeurIPS 2023 · 85 citations
- Tensor learning with orthogonal, Lorentz, and symplectic symmetriesWilson Gregory, Josué Tonelli-Cueto, Nicholas F. Marshall, Andrew S. Lee et al.ICLR 2026 · 4 citations
- A General Framework for Equivariant Neural Networks on Reductive Lie GroupsIlyes Batatia, Mario Geiger, Jose M. Munoz, Tess E. Smidt et al.NeurIPS 2023 · 28 citations
- A Practical Method for Constructing Equivariant Multilayer Perceptrons for Arbitrary Matrix GroupsMarc Finzi, Max Welling, Andrew Gordon WilsonICML 2021 · 226 citations
