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Representations are a foundational component of any modelling protocol, including on molecules and molecular solids. For tasks that depend on knowledge of both molecular conformation and 3D orientation, such as the modelling of molecular…

Machine Learning · Computer Science 2026-03-17 Michael Kilgour , Mark Tuckerman , Jutta Rogal

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

This paper presents a novel framework combining group equivariant convolutional neural networks (G-CNNs) with equivariant-aware structured pruning to produce compact, transformation-invariant models for resource-constrained environments.…

Computer Vision and Pattern Recognition · Computer Science 2025-11-24 Mohammed Alnemari

The task of human pose estimation (HPE) deals with the ill-posed problem of estimating the 3D position of human joints directly from images and videos. In recent literature, most of the works tackle the problem mostly by using convolutional…

Computer Vision and Pattern Recognition · Computer Science 2023-02-14 Nicola Garau , Nicola Conci

A wide range of techniques have been proposed in recent years for designing neural networks for 3D data that are equivariant under rotation and translation of the input. Most approaches for equivariance under the Euclidean group…

Computational Geometry · Computer Science 2022-11-30 Adrien Poulenard , Maks Ovsjanikov , Leonidas J. Guibas

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

Spatial and channel re-calibration have become powerful concepts in computer vision. Their ability to capture long-range dependencies is especially useful for those networks that extract local features, such as CNNs. While re-calibration…

Computer Vision and Pattern Recognition · Computer Science 2020-11-26 Ignacio Sarasua , Sebastian Poelsterl , Christian Wachinger

Incorporating symmetries can lead to highly data-efficient and generalizable models by defining equivalence classes of data samples related by transformations. However, characterizing how transformations act on input data is often…

Machine Learning · Computer Science 2022-07-04 Jung Yeon Park , Ondrej Biza , Linfeng Zhao , Jan Willem van de Meent , Robin Walters

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

Equivariance has gained strong interest as a desirable network property that inherently ensures robust generalization. However, when dealing with complex systems such as articulated objects or multi-object scenes, effectively capturing…

Computer Vision and Pattern Recognition · Computer Science 2023-05-29 Congyue Deng , Jiahui Lei , Bokui Shen , Kostas Daniilidis , Leonidas Guibas

Based on the theory of homogeneous spaces we derive geometrically optimal edge attributes to be used within the flexible message-passing framework. We formalize the notion of weight sharing in convolutional networks as the sharing of…

Machine Learning · Computer Science 2024-03-18 Erik J Bekkers , Sharvaree Vadgama , Rob D Hesselink , Putri A van der Linden , David W Romero

Many problems in computer vision require dealing with sparse, unordered data in the form of point clouds. Permutation-equivariant networks have become a popular solution-they operate on individual data points with simple perceptrons and…

Computer Vision and Pattern Recognition · Computer Science 2021-02-02 Weiwei Sun , Wei Jiang , Eduard Trulls , Andrea Tagliasacchi , Kwang Moo Yi

Physics-Informed Neural Networks (PINNs) have emerged as a tool for approximating the solution of Partial Differential Equations (PDEs) in both forward and inverse problems. PINNs minimize a loss function which includes the PDE residual…

Numerical Analysis · Mathematics 2025-09-23 Coen Visser , Alexander Heinlein , Bianca Giovanardi

In industrial defect segmentation tasks, while pixel accuracy and Intersection over Union (IoU) are commonly employed metrics to assess segmentation performance, the output consistency (also referred to equivalence) of the model is often…

Computer Vision and Pattern Recognition · Computer Science 2023-10-02 Zhen Qu , Xian Tao , Fei Shen , Zhengtao Zhang , Tao Li

In this paper, we propose a similarity-aware fusion network (SAFNet) to adaptively fuse 2D images and 3D point clouds for 3D semantic segmentation. Existing fusion-based methods achieve remarkable performances by integrating information…

Computer Vision and Pattern Recognition · Computer Science 2021-07-20 Linqing Zhao , Jiwen Lu , Jie Zhou

Scanning real-life scenes with modern registration devices typically gives incomplete point cloud representations, primarily due to the limitations of partial scanning, 3D occlusions, and dynamic light conditions. Recent works on processing…

Computer Vision and Pattern Recognition · Computer Science 2024-04-15 Haipeng Wang

Point cloud completion is the task of predicting complete geometry from partial observations using a point set representation for a 3D shape. Previous approaches propose neural networks to directly estimate the whole point cloud through…

Computer Vision and Pattern Recognition · Computer Science 2020-10-12 Alexis Mendoza , Alexander Apaza , Ivan Sipiran , Cristian Lopez

Invariance and equivariance to the rotation group have been widely discussed in the 3D deep learning community for pointclouds. Yet most proposed methods either use complex mathematical tools that may limit their accessibility, or are tied…

Computer Vision and Pattern Recognition · Computer Science 2021-04-27 Congyue Deng , Or Litany , Yueqi Duan , Adrien Poulenard , Andrea Tagliasacchi , Leonidas Guibas

The application of deep learning to 3D point clouds is challenging due to its lack of order. Inspired by the point embeddings of PointNet and the edge embeddings of DGCNNs, we propose three improvements to the task of point cloud analysis.…

Computer Vision and Pattern Recognition · Computer Science 2021-04-09 Chaitanya Kaul , Nick Pears , Suresh Manandhar

Graph neural networks that model 3D data, such as point clouds or atoms, are typically desired to be $SO(3)$ equivariant, i.e., equivariant to 3D rotations. Unfortunately equivariant convolutions, which are a fundamental operation for…

Machine Learning · Computer Science 2023-06-16 Saro Passaro , C. Lawrence Zitnick