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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

Traditional supervised learning aims to learn an unknown mapping by fitting a function to a set of input-output pairs with a fixed dimension. The fitted function is then defined on inputs of the same dimension. However, in many settings,…

Machine Learning · Computer Science 2024-05-01 Eitan Levin , Mateo Díaz

3D data is a valuable asset the computer vision filed as it provides rich information about the full geometry of sensed objects and scenes. Recently, with the availability of both large 3D datasets and computational power, it is today…

Computer Vision and Pattern Recognition · Computer Science 2019-04-09 Eman Ahmed , Alexandre Saint , Abd El Rahman Shabayek , Kseniya Cherenkova , Rig Das , Gleb Gusev , Djamila Aouada , Bjorn Ottersten

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

Equivariant neural networks are a class of neural networks designed to preserve symmetries inherent in the data. In this paper, we introduce a general method for modifying a neural network to enforce equivariance, a process we refer to as…

Machine Learning · Computer Science 2025-11-19 Erkao Bao , Jingcheng Lu , Linqi Song , Nathan Hart-Hodgson , William Parson , Yanheng Zhou

Accurate prediction of compound-protein interactions (CPI) remains a cornerstone challenge in computational drug discovery. While existing sequence-based approaches leverage molecular fingerprints or graph representations, they critically…

Machine Learning · Computer Science 2025-04-08 Ngoc-Quang Nguyen

In recent years, neural implicit representations have made remarkable progress in modeling of 3D shapes with arbitrary topology. In this work, we address two key limitations of such representations, in failing to capture local 3D geometric…

Computer Vision and Pattern Recognition · Computer Science 2022-04-01 Yunlu Chen , Basura Fernando , Hakan Bilen , Matthias Nießner , Efstratios Gavves

End-to-end learning for visual robotic manipulation is known to suffer from sample inefficiency, requiring large numbers of demonstrations. The spatial roto-translation equivariance, or the SE(3)-equivariance can be exploited to improve the…

Robotics · Computer Science 2023-11-08 Hyunwoo Ryu , Hong-in Lee , Jeong-Hoon Lee , Jongeun Choi

We introduce Equivariant Neural Diffusion (END), a novel diffusion model for molecule generation in 3D that is equivariant to Euclidean transformations. Compared to current state-of-the-art equivariant diffusion models, the key innovation…

Machine Learning · Computer Science 2025-06-13 François Cornet , Grigory Bartosh , Mikkel N. Schmidt , Christian A. Naesseth

This paper introduces a generative model equivariant to Euclidean symmetries: E(n) Equivariant Normalizing Flows (E-NFs). To construct E-NFs, we take the discriminative E(n) graph neural networks and integrate them as a differential…

Machine Learning · Computer Science 2022-01-17 Victor Garcia Satorras , Emiel Hoogeboom , Fabian B. Fuchs , Ingmar Posner , Max Welling

We propose a metric learning framework for the construction of invariant geometric functions of planar curves for the Eucledian and Similarity group of transformations. We leverage on the representational power of convolutional neural…

Computer Vision and Pattern Recognition · Computer Science 2017-02-20 Gautam Pai , Aaron Wetzler , Ron Kimmel

The rising adoption of machine learning in high energy physics and lattice field theory necessitates the re-evaluation of common methods that are widely used in computer vision, which, when applied to problems in physics, can lead to…

High Energy Physics - Lattice · Physics 2021-10-12 Srinath Bulusu , Matteo Favoni , Andreas Ipp , David I. Müller , Daniel Schuh

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

Equivariance w.r.t. geometric transformations in neural networks improves data efficiency, parameter efficiency and robustness to out-of-domain perspective shifts. When equivariance is not designed into a neural network, the network can…

Computer Vision and Pattern Recognition · Computer Science 2023-04-10 Robert-Jan Bruintjes , Tomasz Motyka , Jan van Gemert

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

Many robot manipulation tasks can be framed as geometric reasoning tasks, where an agent must be able to precisely manipulate an object into a position that satisfies the task from a set of initial conditions. Often, task success is defined…

Robotics · Computer Science 2024-04-23 Ben Eisner , Yi Yang , Todor Davchev , Mel Vecerik , Jonathan Scholz , David Held

Point cloud registration is a foundational task for 3D alignment and reconstruction applications. While both traditional and learning-based registration approaches have succeeded, leveraging the intrinsic symmetry of point cloud data,…

Computer Vision and Pattern Recognition · Computer Science 2024-10-10 Xueyang Kang , Zhaoliang Luan , Kourosh Khoshelham , Bing Wang

Learning for robot navigation presents a critical and challenging task. The scarcity and costliness of real-world datasets necessitate efficient learning approaches. In this letter, we exploit Euclidean symmetry in planning for 2D…

Robotics · Computer Science 2024-01-30 Linfeng Zhao , Hongyu Li , Taskin Padir , Huaizu Jiang , Lawson L. S. Wong

Convolutional networks are successful due to their equivariance/invariance under translations. However, rotatable data such as images, volumes, shapes, or point clouds require processing with equivariance/invariance under rotations in cases…

Machine Learning · Computer Science 2021-11-23 Luca Della Libera , Vladimir Golkov , Yue Zhu , Arman Mielke , Daniel Cremers

This paper presents $\mathrm{E}(n)$ Equivariant Message Passing Simplicial Networks (EMPSNs), a novel approach to learning on geometric graphs and point clouds that is equivariant to rotations, translations, and reflections. EMPSNs can…

Machine Learning · Computer Science 2023-10-24 Floor Eijkelboom , Rob Hesselink , Erik Bekkers