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Related papers: E(3)-Equivariant Mesh Neural Networks

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3D models are widely used in various industries, and mesh data has become an indispensable part of 3D modeling because of its unique advantages. Mesh data can provide an intuitive and practical expression of rich 3D information. However,…

Computer Vision and Pattern Recognition · Computer Science 2025-03-05 Ling Gao , Zhenyu Shu , Shiqing Xin

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

Graph Neural Networks (GNNs), especially message-passing neural networks (MPNNs), have emerged as powerful architectures for learning on graphs in diverse applications. However, MPNNs face challenges when modeling non-local interactions in…

Machine Learning · Statistics 2024-01-31 Ilyes Batatia , Lars L. Schaaf , Huajie Chen , Gábor Csányi , Christoph Ortner , Felix A. Faber

Scene graphs have proven to be highly effective for various scene understanding tasks due to their compact and explicit representation of relational information. However, current methods often overlook the critical importance of preserving…

Computer Vision and Pattern Recognition · Computer Science 2025-11-04 Quang P. M. Pham , Khoi T. N. Nguyen , Lan C. Ngo , Truong Do , Dezhen Song , Truong-Son Hy

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

Deep learning-based approaches, particularly graph neural networks (GNNs), have gained prominence in simulating flexible deformations and contacts of solids, due to their ability to handle unstructured physical fields and nonlinear…

Machine Learning · Computer Science 2026-04-07 Zhe Feng , Shilong Tao , Haonan Sun , Shaohan Chen , Zhanxing Zhu , Yunhuai Liu

Equivariant neural networks (ENNs) are graph neural networks embedded in $\mathbb{R}^3$ and are well suited for predicting molecular properties. The ENN library e3nn has customizable convolutions, which can be designed to depend only on…

Machine Learning · Computer Science 2020-11-25 Benjamin Kurt Miller , Mario Geiger , Tess E. Smidt , Frank Noé

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

We propose extrinsic and intrinsic deep neural network architectures as general frameworks for deep learning on manifolds. Specifically, extrinsic deep neural networks (eDNNs) preserve geometric features on manifolds by utilizing an…

Machine Learning · Statistics 2023-02-20 Yihao Fang , Ilsang Ohn , Vijay Gupta , Lizhen Lin

Designing neural network architectures that can handle data symmetry is crucial. This is especially important for geometric graphs whose properties are equivariance under Euclidean transformations. Current equivariant graph neural networks…

Machine Learning · Computer Science 2025-03-14 Viet-Hoang Tran , Thieu N. Vo , Tho Tran Huu , Tan Minh Nguyen

Machine learning algorithms are heavily relied on to understand the vast amounts of data from high-energy particle collisions at the CERN Large Hadron Collider (LHC). The data from such collision events can naturally be represented with…

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

Equivariant Graph Neural Networks (GNNs) that incorporate E(3) symmetry have achieved significant success in various scientific applications. As one of the most successful models, EGNN leverages a simple scalarization technique to perform…

Machine Learning · Computer Science 2025-10-16 Jiacheng Cen , Anyi Li , Ning Lin , Yuxiang Ren , Zihe Wang , Wenbing Huang

Hypergraph neural networks (HNNs) using neural networks to encode hypergraphs provide a promising way to model higher-order relations in data and further solve relevant prediction tasks built upon such higher-order relations. However,…

Machine Learning · Computer Science 2023-02-16 Peihao Wang , Shenghao Yang , Yunyu Liu , Zhangyang Wang , Pan Li

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

Graph neural networks (GNNs) are widely used for modelling graph-structured data in numerous applications. However, with their inherently finite aggregation layers, existing GNN models may not be able to effectively capture long-range…

Machine Learning · Computer Science 2022-02-23 Juncheng Liu , Kenji Kawaguchi , Bryan Hooi , Yiwei Wang , Xiaokui Xiao

Modeling the complex three-dimensional (3D) dynamics of relational systems is an important problem in the natural sciences, with applications ranging from molecular simulations to particle mechanics. Machine learning methods have achieved…

3D meshes are fundamental data representations for capturing complex geometric shapes in computer vision and graphics applications. While Convolutional Neural Networks (CNNs) have excelled in structured data like images, extending them to…

Graphics · Computer Science 2025-07-09 Saqib Nazir , Olivier Lézoray , Sébastien Bougleux

Being able to identify regions within or around proteins, to which ligands can potentially bind, is an essential step to develop new drugs. Binding site identification methods can now profit from the availability of large amounts of 3D…

Mesh is an important and powerful type of data for 3D shapes and widely studied in the field of computer vision and computer graphics. Regarding the task of 3D shape representation, there have been extensive research efforts concentrating…

Computer Vision and Pattern Recognition · Computer Science 2018-11-29 Yutong Feng , Yifan Feng , Haoxuan You , Xibin Zhao , Yue Gao