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Computational fluid dynamics (CFD) is a valuable asset for patient-specific cardiovascular-disease diagnosis and prognosis, but its high computational demands hamper its adoption in practice. Machine-learning methods that estimate blood…

Machine Learning · Computer Science 2024-06-18 Julian Suk , Pim de Haan , Phillip Lippe , Christoph Brune , Jelmer M. Wolterink

Equivariant Graph Neural Networks (eGNNs) trained on density-functional theory (DFT) data can potentially perform electronic structure prediction at unprecedented scales, enabling investigation of the electronic properties of materials with…

Machine Learning · Computer Science 2025-07-08 Manasa Kaniselvan , Alexander Maeder , Chen Hao Xia , Alexandros Nikolaos Ziogas , Mathieu Luisier

We propose a framework for rotation and translation covariant deep learning using $SE(2)$ group convolutions. The group product of the special Euclidean motion group $SE(2)$ describes how a concatenation of two roto-translations results in…

Computer Vision and Pattern Recognition · Computer Science 2018-06-12 Erik J Bekkers , Maxime W Lafarge , Mitko Veta , Koen AJ Eppenhof , Josien PW Pluim , Remco Duits

Many machine learning tasks involve learning functions that are known to be invariant or equivariant to certain symmetries of the input data. However, it is often challenging to design neural network architectures that respect these…

Machine Learning · Computer Science 2022-03-17 Omri Puny , Matan Atzmon , Heli Ben-Hamu , Ishan Misra , Aditya Grover , Edward J. Smith , Yaron Lipman

Rotation equivariant graph neural networks, i.e. networks designed to guarantee certain geometric relations between their inputs and outputs, yield state of the art performance on spatial deep learning tasks. They exhibit high data…

Machine Learning · Computer Science 2025-05-12 Vivek Bharadwaj , Austin Glover , Aydin Buluc , James Demmel

We contribute to the vastly growing field of machine learning for engineering systems by demonstrating that equivariant graph neural networks have the potential to learn more accurate dynamic-interaction models than their non-equivariant…

Machine Learning · Computer Science 2023-04-04 Artur P. Toshev , Gianluca Galletti , Johannes Brandstetter , Stefan Adami , Nikolaus A. Adams

Graph neural networks (GNNs) have become a core paradigm for learning on relational data. In materials science, equivariant GNNs (EGNNs) have emerged as a compelling backbone for crystalline-structure prediction, owing to their ability to…

Machine Learning · Computer Science 2025-10-08 Yang Cao , Zhao Song , Jiahao Zhang , Jiale Zhao

While end-to-end approaches have achieved state-of-the-art performance in many perception tasks, they are not yet able to compete with 3D geometry-based methods in pose estimation. Moreover, absolute pose regression has been shown to be…

Computer Vision and Pattern Recognition · Computer Science 2022-04-06 Mohamed Adel Musallam , Vincent Gaudilliere , Miguel Ortiz del Castillo , Kassem Al Ismaeil , Djamila Aouada

We introduce the usage of equivariant neural networks in the search for violations of the charge-parity ($\textit{CP}$) symmetry in particle interactions at the CERN Large Hadron Collider. We design neural networks that take as inputs…

High Energy Physics - Phenomenology · Physics 2024-11-27 Sergio Sánchez Cruz , Marina Kolosova , Clara Ramón Álvarez , Giovanni Petrucciani , Pietro Vischia

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

Learning self-supervised representations that are invariant and equivariant to transformations is crucial for advancing beyond traditional visual classification tasks. However, many methods rely on predictor architectures to encode…

Computer Vision and Pattern Recognition · Computer Science 2025-06-12 Athinoulla Konstantinou , Georgios Leontidis , Mamatha Thota , Aiden Durrant

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

Incorporating equivariance to symmetry groups as a constraint during neural network training can improve performance and generalization for tasks exhibiting those symmetries, but such symmetries are often not perfectly nor explicitly…

Machine Learning · Computer Science 2023-02-09 Kaitlin Maile , Dennis G. Wilson , Patrick Forré

We address the problem of fitting a parametric human body model (SMPL) to point cloud data. Optimization-based methods require careful initialization and are prone to becoming trapped in local optima. Learning-based methods address this but…

Computer Vision and Pattern Recognition · Computer Science 2023-09-20 Haiwen Feng , Peter Kulits , Shichen Liu , Michael J. Black , Victoria Abrevaya

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

A key requirement for graph neural networks is that they must process a graph in a way that does not depend on how the graph is described. Traditionally this has been taken to mean that a graph network must be equivariant to node…

Machine Learning · Computer Science 2020-11-24 Pim de Haan , Taco Cohen , Max Welling

Accurate feature matching and correspondence in endoscopic images play a crucial role in various clinical applications, including patient follow-up and rapid anomaly localization through panoramic image generation. However, developing…

Computer Vision and Pattern Recognition · Computer Science 2023-06-21 Manel Farhat , Achraf Ben-Hamadou

We propose a framework for learning neural scene representations directly from images, without 3D supervision. Our key insight is that 3D structure can be imposed by ensuring that the learned representation transforms like a real 3D scene.…

Computer Vision and Pattern Recognition · Computer Science 2020-12-22 Emilien Dupont , Miguel Angel Bautista , Alex Colburn , Aditya Sankar , Carlos Guestrin , Josh Susskind , Qi Shan

The Matrix-Element Method (MEM) has long been a cornerstone of data analysis in high-energy physics. It leverages theoretical knowledge of parton-level processes and symmetries to evaluate the likelihood of observed events. In parallel, the…

High Energy Physics - Phenomenology · Physics 2024-10-25 Daniel Maître , Vishal S. Ngairangbam , Michael Spannowsky

Equivariant Graph Neural Networks (GNNs) have achieved remarkable success across diverse scientific applications. However, existing approaches face critical efficiency challenges when scaling to large geometric graphs and suffer significant…

Machine Learning · Computer Science 2025-06-25 Yuelin Zhang , Jiacheng Cen , Jiaqi Han , Wenbing Huang
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