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Related papers: Relaxed Equivariant Graph Neural Networks

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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

Group equivariance (e.g. SE(3) equivariance) is a critical physical symmetry in science, from classical and quantum physics to computational biology. It enables robust and accurate prediction under arbitrary reference transformations. In…

Computational Engineering, Finance, and Science · Computer Science 2023-02-08 Weitao Du , He Zhang , Yuanqi Du , Qi Meng , Wei Chen , Bin Shao , Tie-Yan Liu

This paper introduces a new model to learn graph neural networks equivariant to rotations, translations, reflections and permutations called E(n)-Equivariant Graph Neural Networks (EGNNs). In contrast with existing methods, our work does…

Machine Learning · Computer Science 2022-02-17 Victor Garcia Satorras , Emiel Hoogeboom , Max Welling

We present e3nn, a generalized framework for creating E(3) equivariant trainable functions, also known as Euclidean neural networks. e3nn naturally operates on geometry and geometric tensors that describe systems in 3D and transform…

Machine Learning · Computer Science 2022-07-21 Mario Geiger , Tess Smidt

Incorporating Euclidean symmetries (e.g. rotation equivariance) as inductive biases into graph neural networks has improved their generalization ability and data efficiency in unbounded physical dynamics modeling. However, in various…

Machine Learning · Computer Science 2024-06-25 Zinan Zheng , Yang Liu , Jia Li , Jianhua Yao , Yu Rong

Geometric deep learning enables the encoding of physical symmetries in modeling 3D objects. Despite rapid progress in encoding 3D symmetries into Graph Neural Networks (GNNs), a comprehensive evaluation of the expressiveness of these…

Machine Learning · Computer Science 2023-04-12 Weitao Du , Yuanqi Du , Limei Wang , Dieqiao Feng , Guifeng Wang , Shuiwang Ji , Carla Gomes , Zhi-Ming Ma

Recent advances in deep learning and Transformers have driven major breakthroughs in robotics by employing techniques such as imitation learning, reinforcement learning, and LLM-based multimodal perception and decision-making. However,…

Triangular meshes are widely used to represent three-dimensional objects. As a result, many recent works have address the need for geometric deep learning on 3D mesh. However, we observe that the complexities in many of these architectures…

Machine Learning · Computer Science 2024-02-20 Thuan Trang , Nhat Khang Ngo , Daniel Levy , Thieu N. Vo , Siamak Ravanbakhsh , Truong Son Hy

Using symmetry as an inductive bias in deep learning has been proven to be a principled approach for sample-efficient model design. However, the relationship between symmetry and the imperative for equivariance in neural networks is not…

Machine Learning · Computer Science 2024-03-25 Sékou-Oumar Kaba , Siamak Ravanbakhsh

We present a convolutional network that is equivariant to rigid body motions. The model uses scalar-, vector-, and tensor fields over 3D Euclidean space to represent data, and equivariant convolutions to map between such representations.…

Machine Learning · Computer Science 2018-10-30 Maurice Weiler , Mario Geiger , Max Welling , Wouter Boomsma , Taco Cohen

Soft, porous mechanical metamaterials exhibit pattern transformations that may have important applications in soft robotics, sound reduction and biomedicine. To design these innovative materials, it is important to be able to simulate them…

Soft Condensed Matter · Physics 2025-03-14 Fleur Hendriks , Vlado Menkovski , Martin Doškář , Marc G. D. Geers , Ondřej Rokoš

Graph Neural Networks (GNNs) have become a prevailing tool for learning physical dynamics. However, they still encounter several challenges: 1) Physical laws abide by symmetry, which is a vital inductive bias accounting for model…

Machine Learning · Computer Science 2022-10-14 Jiaqi Han , Wenbing Huang , Hengbo Ma , Jiachen Li , Joshua B. Tenenbaum , Chuang Gan

Spherical equivariant graph neural networks (EGNNs) provide a principled framework for learning on three-dimensional molecular and biomolecular systems, where predictions must respect the rotational symmetries inherent in physics. These…

Machine Learning · Computer Science 2025-12-17 Sophia Tang

Euclidean deep learning is often inadequate for addressing real-world signals where the representation space is irregular and curved with complex topologies. Interpreting the geometric properties of such feature spaces has become paramount…

Computer Vision and Pattern Recognition · Computer Science 2024-09-12 Ramzan Basheer , Deepak Mishra

Group equivariant neural networks have been explored in the past few years and are interesting from theoretical and practical standpoints. They leverage concepts from group representation theory, non-commutative harmonic analysis and…

Machine Learning · Computer Science 2020-05-01 Carlos Esteves

Equivariant neural networks (ENNs) have been shown to be extremely effective in applications involving underlying symmetries. By construction ENNs cannot produce lower symmetry outputs given a higher symmetry input. However, symmetry…

Machine Learning · Computer Science 2024-11-15 YuQing Xie , Tess Smidt

Including covariant information, such as position, force, velocity or spin is important in many tasks in computational physics and chemistry. We introduce Steerable E(3) Equivariant Graph Neural Networks (SEGNNs) that generalise equivariant…

Machine Learning · Computer Science 2022-03-29 Johannes Brandstetter , Rob Hesselink , Elise van der Pol , Erik J Bekkers , Max Welling

Exploiting symmetries and invariance in data is a powerful, yet not fully exploited, way to achieve better generalisation with more efficiency. In this paper, we introduce two graph network architectures that are equivariant to several…

Machine Learning · Computer Science 2021-06-01 Francesco Farina , Emma Slade

Equivariance of neural networks to transformations helps to improve their performance and reduce generalization error in computer vision tasks, as they apply to datasets presenting symmetries (e.g. scalings, rotations, translations). The…

Computer Vision and Pattern Recognition · Computer Science 2022-11-08 Mateus Sangalli , Samy Blusseau , Santiago Velasco-Forero , Jesus Angulo

We propose a general architecture that combines the coefficient learning scheme with a residual operator layer for learning mappings between continuous functions in the 3D Euclidean space. Our proposed model is guaranteed to achieve…

Machine Learning · Computer Science 2023-11-21 Chaoran Cheng , Jian Peng
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