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Machine learning has enabled the prediction of quantum chemical properties with high accuracy and efficiency, allowing to bypass computationally costly ab initio calculations. Instead of training on a fixed set of properties, more recent…

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

Spherical convolutional neural networks (Spherical CNNs) learn nonlinear representations from 3D data by exploiting the data structure and have shown promising performance in shape analysis, object classification, and planning among others.…

Machine Learning · Computer Science 2021-04-06 Zhan Gao , Fernando Gama , Alejandro Ribeiro

This study reports an approach and presents its open-source implementation for quantitative analysis of experimental flows using streak images and Convolutional Neural Networks (CNN). The latter are applied to retrieve a length and an angle…

Image and Video Processing · Electrical Eng. & Systems 2020-09-04 Alexander V. Grayver , Jerome Noir

We present Clifford-Steerable Convolutional Neural Networks (CS-CNNs), a novel class of $\mathrm{E}(p, q)$-equivariant CNNs. CS-CNNs process multivector fields on pseudo-Euclidean spaces $\mathbb{R}^{p,q}$. They cover, for instance,…

Machine Learning · Computer Science 2024-07-09 Maksim Zhdanov , David Ruhe , Maurice Weiler , Ana Lucic , Johannes Brandstetter , Patrick Forré

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 consider the flow of a Newtonian fluid in a three-dimensional domain, rotating about a vertical axis and driven by a vertically invariant horizontal body-force. This system admits vertically invariant solutions that satisfy the 2D…

Fluid Dynamics · Physics 2023-07-19 Basile Gallet

Many classes of images exhibit rotational symmetry. Convolutional neural networks are sometimes trained using data augmentation to exploit this, but they are still required to learn the rotation equivariance properties from the data.…

Machine Learning · Computer Science 2016-05-27 Sander Dieleman , Jeffrey De Fauw , Koray Kavukcuoglu

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

A graph neural network (GNN) approach is introduced in this work which enables mesh-based three-dimensional super-resolution of fluid flows. In this framework, the GNN is designed to operate not on the full mesh-based field at once, but on…

The effectiveness of Convolutional Neural Networks (CNNs) has been substantially attributed to their built-in property of translation equivariance. However, CNNs do not have embedded mechanisms to handle other types of transformations. In…

Computer Vision and Pattern Recognition · Computer Science 2020-02-07 Ivan Sosnovik , Michał Szmaja , Arnold Smeulders

In remote sensing images, the absolute orientation of objects is arbitrary. Depending on an object's orientation and on a sensor's flight path, objects of the same semantic class can be observed in different orientations in the same image.…

Computer Vision and Pattern Recognition · Computer Science 2018-03-19 Diego Marcos , Michele Volpi , Benjamin Kellenberger , Devis Tuia

Super-resolution (SR) techniques based on deep learning have recently emerged as a promising approach to enhance the spatial resolution of computational fluid dynamics simulations while containing computational cost. In this paper, we…

Fluid Dynamics · Physics 2026-04-13 Armin Sheidani , Michele Girfoglio , Annalisa Quaini , Gianluigi Rozza

Neural networks that incorporate geometric relationships respecting SE(3) group transformations (e.g. rotations and translations) are increasingly important in molecular applications, such as molecular property prediction, protein structure…

Machine Learning · Computer Science 2025-10-21 Jose Siguenza , Bharath Ramsundar

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,…

Convolutional neural networks revolutionized computer vision and natrual language processing. Their efficiency, as compared to fully connected neural networks, has its origin in the architecture, where convolutions reflect the translation…

Machine Learning · Computer Science 2023-01-10 Patrick Krüger , Hanno Gottschalk

State estimation from limited sensor measurements is ubiquitously found as a common challenge in a broad range of fields including mechanics, astronomy, and geophysics. Fluid mechanics is no exception -- state estimation of fluid flows is…

Fluid Dynamics · Physics 2022-06-01 Taichi Nakamura , Koji Fukagata

We introduce the Particle Convolution Network (PCN), a new type of equivariant neural network layer suitable for many tasks in jet physics. The particle convolution layer can be viewed as an extension of Deep Sets and Energy Flow network…

High Energy Physics - Phenomenology · Physics 2021-07-08 Chase Shimmin

High-fidelity numerical simulations of compressible flow past a rapidly rotating cylinder are used to investigate the evolution of aerodynamic loads and flow instability over a wide range of Reynolds numbers (Re = 1000 to 6000). The study…

Fluid Dynamics · Physics 2026-05-27 Sanjeev Kumar , Santosh Kumar , Aditi Sengupta

Equivariant diffusion models have achieved impressive performance in 3D molecule generation. These models incorporate Euclidean symmetries of 3D molecules by utilizing an SE(3)-equivariant denoising network. However, specialized equivariant…

Machine Learning · Computer Science 2025-07-01 Yuhui Ding , Thomas Hofmann