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Recently, a variety of new equivariant neural network model architectures have been proposed that generalize better over rotational and reflectional symmetries than standard models. These models are relevant to robotics because many…

Robotics · Computer Science 2021-11-01 Dian Wang , Robin Walters , Xupeng Zhu , Robert Platt

In many real-world applications of regression, conditional probability estimation, and uncertainty quantification, exploiting symmetries rooted in physics or geometry can dramatically improve generalization and sample efficiency. While…

Machine Learning · Computer Science 2025-05-28 Daniel Ordoñez-Apraez , Vladimir Kostić , Alek Fröhlich , Vivien Brandt , Karim Lounici , Massimiliano Pontil

Designing machine learning architectures for processing neural networks in their raw weight matrix form is a newly introduced research direction. Unfortunately, the unique symmetry structure of deep weight spaces makes this design very…

Machine Learning · Computer Science 2023-06-02 Aviv Navon , Aviv Shamsian , Idan Achituve , Ethan Fetaya , Gal Chechik , Haggai Maron

Deep learning for predicting the electronic-structure Hamiltonian of quantum systems necessitates satisfying the covariance laws, among which achieving SO(3)-equivariance without sacrificing the non-linear expressive capability of networks…

Computational Physics · Physics 2024-06-25 Shi Yin , Xinyang Pan , Xudong Zhu , Tianyu Gao , Haochong Zhang , Feng Wu , Lixin He

A symmetry on rigid motion is one of the salient factors in efficient learning of 3D point cloud problems. Group convolution has been a representative method to extract equivariant features, but its realizations have struggled to retain…

Computer Vision and Pattern Recognition · Computer Science 2026-03-19 Jaein Kim , Hee Bin Yoo , Dong-Sig Han , Byoung-Tak Zhang

In this paper, we develop SE3Set, an SE(3) equivariant hypergraph neural network architecture tailored for advanced molecular representation learning. Hypergraphs are not merely an extension of traditional graphs; they are pivotal for…

Machine Learning · Computer Science 2024-05-28 Hongfei Wu , Lijun Wu , Guoqing Liu , Zhirong Liu , Bin Shao , Zun Wang

This work introduces E3x, a software package for building neural networks that are equivariant with respect to the Euclidean group $\mathrm{E}(3)$, consisting of translations, rotations, and reflections of three-dimensional space. Compared…

Machine Learning · Computer Science 2024-11-12 Oliver T. Unke , Hartmut Maennel

Incorporating symmetries can lead to highly data-efficient and generalizable models by defining equivalence classes of data samples related by transformations. However, characterizing how transformations act on input data is often…

Machine Learning · Computer Science 2022-07-04 Jung Yeon Park , Ondrej Biza , Linfeng Zhao , Jan Willem van de Meent , Robin Walters

Many learning tasks, including learning potential energy surfaces from ab initio calculations, involve global spatial symmetries and permutational symmetry between atoms or general particles. Equivariant graph neural networks are a standard…

Machine Learning · Computer Science 2024-05-24 Zimu Li , Zihan Pengmei , Han Zheng , Erik Thiede , Junyu Liu , Risi Kondor

Convolutional networks are successful, but they have recently been outperformed by new neural networks that are equivariant under rotations and translations. These new networks work better because they do not struggle with learning each…

Computer Vision and Pattern Recognition · Computer Science 2021-02-16 Philip Müller , Vladimir Golkov , Valentina Tomassini , Daniel Cremers

Symmetry-aware architectures are central to geometric deep learning. We present a systematic approach for constructing continuous rotationally invariant and equivariant functions using symmetric tensor networks. The proposed framework…

Machine Learning · Computer Science 2026-02-03 Meng Zhang , Chao Wang , Hao Zhang , Shaojun Dong , Lixin He

Establishing correspondences between 3D shapes is a fundamental task in 3D Computer Vision, typically addressed by matching local descriptors. Recently, a few attempts at applying the deep learning paradigm to the task have shown promising…

Computer Vision and Pattern Recognition · Computer Science 2019-09-17 Riccardo Spezialetti , Samuele Salti , Luigi Di Stefano

We introduce the SE(3)-Transformer, a variant of the self-attention module for 3D point clouds and graphs, which is equivariant under continuous 3D roto-translations. Equivariance is important to ensure stable and predictable performance in…

Machine Learning · Computer Science 2020-11-26 Fabian B. Fuchs , Daniel E. Worrall , Volker Fischer , Max Welling

Extending the translation equivariance property of convolutional neural networks to larger symmetry groups has been shown to reduce sample complexity and enable more discriminative feature learning. Further, exploiting additional symmetries…

Computer Vision and Pattern Recognition · Computer Science 2025-02-12 Lisa Weijler , Pedro Hermosilla

3D Euclidean symmetry equivariant neural networks have demonstrated notable success in modeling complex physical systems. We introduce a framework for relaxed $E(3)$ graph equivariant neural networks that can learn and represent symmetry…

Machine Learning · Computer Science 2024-12-11 Elyssa Hofgard , Rui Wang , Robin Walters , Tess Smidt

Analyzing scalar and vector fields on the sphere, such as temperature or wind speed and direction on Earth, is a difficult task. Models should respect both the rotational symmetries of the sphere and the inherent symmetries of the vector…

Machine Learning · Computer Science 2026-04-01 Francesco Ballerin , Nello Blaser , Erlend Grong

When manipulating three-dimensional data, it is possible to ensure that rotational and translational symmetries are respected by applying so-called SE(3)-equivariant models. Protein structure prediction is a prominent example of a task…

Machine Learning · Computer Science 2021-03-17 Fabian B. Fuchs , Edward Wagstaff , Justas Dauparas , Ingmar Posner

Building effective imitation learning methods that enable robots to learn from limited data and still generalize across diverse real-world environments is a long-standing problem in robot learning. We propose Equibot, a robust,…

Robotics · Computer Science 2024-10-30 Jingyun Yang , Zi-ang Cao , Congyue Deng , Rika Antonova , Shuran Song , Jeannette Bohg

Accurate predictions of interatomic energies and forces are essential for high quality molecular dynamic simulations (MD). Machine learning algorithms can be used to overcome limitations of classical MD by predicting ab initio quality…

Chemical Physics · Physics 2022-01-04 Bryce Hedelius , Fabian B. Fuchs , Dennis Della Corte

It is often said that a deep learning model is "invariant" to some specific type of transformation. However, what is meant by this statement strongly depends on the context in which it is made. In this paper we explore the nature of…

Machine Learning · Computer Science 2022-10-11 Henry Kvinge , Tegan H. Emerson , Grayson Jorgenson , Scott Vasquez , Timothy Doster , Jesse D. Lew