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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

Functions are rich in meaning and can be interpreted in a variety of ways. Neural networks were proven to be capable of approximating a large class of functions[1]. In this paper, we propose a new class of neural networks called "Neural…

Machine Learning · Computer Science 2020-01-16 Firat Tuna

At present, there are a large number of quantum neural network models to deal with Euclidean spatial data, while little research have been conducted on non-Euclidean spatial data. In this paper, we propose a novel quantum graph…

Signal Processing · Electrical Eng. & Systems 2021-07-08 Jin Zheng , Qing Gao , Yanxuan Lv

This paper introduces E(n) Equivariant Message Passing Cellular Networks (EMPCNs), an extension of E(n) Equivariant Graph Neural Networks to CW-complexes. Our approach addresses two aspects of geometric message passing networks: 1)…

Machine Learning · Computer Science 2024-07-19 Veljko Kovač , Erik J. Bekkers , Pietro Liò , Floor Eijkelboom

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

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

The big empirical success of group equivariant networks has led in recent years to the sprouting of a great variety of equivariant network architectures. A particular focus has thereby been on rotation and reflection equivariant CNNs for…

Computer Vision and Pattern Recognition · Computer Science 2021-04-07 Maurice Weiler , Gabriele Cesa

Deep learning has revolutionized many machine learning tasks in recent years, ranging from image classification and video processing to speech recognition and natural language understanding. The data in these tasks are typically represented…

Machine Learning · Computer Science 2020-03-27 Zonghan Wu , Shirui Pan , Fengwen Chen , Guodong Long , Chengqi Zhang , Philip S. Yu

A Convolutional Recurrent Neural Network (CRNN) is trained to reproduce the evolution of the spinodal decomposition process in three dimensions as described by the Cahn-Hilliard equation. A specialized, physics-inspired architecture is…

Mesoscale and Nanoscale Physics · Physics 2024-10-17 Daniele Lanzoni , Andrea Fantasia , Roberto Bergamaschini , Olivier Pierre-Louis , Francesco Montalenti

Emerging from low-level vision theory, steerable filters found their counterpart in prior work on steerable convolutional neural networks equivariant to rigid transformations. In our work, we propose a steerable feed-forward learning-based…

Computer Vision and Pattern Recognition · Computer Science 2022-08-12 Pavlo Melnyk , Michael Felsberg , Mårten Wadenbäck

Convolutional Neural Networks (CNNs) have been very successful at solving a variety of computer vision tasks such as object classification and detection, semantic segmentation, activity understanding, to name just a few. One key enabling…

Computer Vision and Pattern Recognition · Computer Science 2021-05-18 Guohao Li , Matthias Müller , Guocheng Qian , Itzel C. Delgadillo , Abdulellah Abualshour , Ali Thabet , Bernard Ghanem

Transformer architectures can effectively learn language-conditioned, multi-task 3D open-loop manipulation policies from demonstrations by jointly processing natural language instructions and 3D observations. However, although both the…

Robotics · Computer Science 2025-05-28 Xupeng Zhu , Yu Qi , Yizhe Zhu , Robin Walters , Robert Platt

We propose the use of group convolutional neural network architectures (GCNNs) equivariant to the 2D Euclidean group, $E(2)$, for the task of galaxy morphology classification by utilizing symmetries of the data present in galaxy images as…

Astrophysics of Galaxies · Physics 2023-11-06 Sneh Pandya , Purvik Patel , Franc O , Jonathan Blazek

Convolutional kernels are basic and vital components of deep Convolutional Neural Networks (CNN). In this paper, we equip convolutional kernels with shape attributes to generate the deep Irregular Convolutional Neural Networks (ICNN).…

Computer Vision and Pattern Recognition · Computer Science 2017-06-27 Jiabin Ma , Wei Wang , Liang Wang

Despite their widespread success in various domains, Transformer networks have yet to perform well across datasets in the domain of 3D atomistic graphs such as molecules even when 3D-related inductive biases like translational invariance…

Machine Learning · Computer Science 2023-03-01 Yi-Lun Liao , Tess Smidt

Equivariant Graph Neural Networks (GNNs) have significantly advanced the modeling of 3D molecular structure by leveraging group representations. However, their message passing, heavily relying on Clebsch-Gordan tensor product convolutions,…

Machine Learning · Computer Science 2025-09-30 Junyi An , Xinyu Lu , Chao Qu , Yunfei Shi , Peijia Lin , Qianwei Tang , Licheng Xu , Fenglei Cao , Yuan Qi

Modern cosmological research in large scale structure has witnessed an increasing number of applications of machine learning methods. Among them, Convolutional Neural Networks (CNNs) have received substantial attention due to their…

Cosmology and Nongalactic Astrophysics · Physics 2024-02-16 Zhengyangguang Gong , Anik Halder , Annabelle Bohrdt , Stella Seitz , David Gebauer

This paper proposes a convolution structure for learning SE(3)-equivariant features from 3D point clouds. It can be viewed as an equivariant version of kernel point convolutions (KPConv), a widely used convolution form to process point…

Computer Vision and Pattern Recognition · Computer Science 2023-06-16 Minghan Zhu , Maani Ghaffari , William A. Clark , Huei Peng

In the last decade or so, we have witnessed deep learning reinvigorating the machine learning field. It has solved many problems in the domains of computer vision, speech recognition, natural language processing, and various other tasks…

Machine Learning · Computer Science 2021-09-09 Lilapati Waikhom , Ripon Patgiri

We present a general theory of Group equivariant Convolutional Neural Networks (G-CNNs) on homogeneous spaces such as Euclidean space and the sphere. Feature maps in these networks represent fields on a homogeneous base space, and layers…

Machine Learning · Computer Science 2020-01-10 Taco Cohen , Mario Geiger , Maurice Weiler
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