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Data over non-Euclidean manifolds, often discretized as surface meshes, naturally arise in computer graphics and biological and physical systems. In particular, solutions to partial differential equations (PDEs) over manifolds depend…

机器学习 · 计算机科学 2023-11-06 Jung Yeon Park , Lawson L. S. Wong , Robin Walters

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…

软凝聚态物质 · 物理学 2025-03-14 Fleur Hendriks , Vlado Menkovski , Martin Doškář , Marc G. D. Geers , Ondřej Rokoš

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,…

机器学习 · 计算机科学 2024-05-01 Eitan Levin , Mateo Díaz

Filter-decomposition-based group equivariant convolutional neural networks (CNNs) have shown promising stability and data efficiency for 3D image feature extraction. However, these networks, which rely on parameter sharing and discrete…

计算机视觉与模式识别 · 计算机科学 2026-01-08 Wenzhao Zhao , Steffen Albert , Barbara D. Wichtmann , Angelika Maurer , Ulrike Attenberger , Frank G. Zöllner , Jürgen Hesser

Equivariance is a nice property to have as it produces much more parameter efficient neural architectures and preserves the structure of the input through the feature mapping. Even though some combinations of transformations might never…

计算机视觉与模式识别 · 计算机科学 2020-02-11 David W. Romero , Mark Hoogendoorn

The inclusion of symmetries as an inductive bias, known as equivariance, often improves generalization on geometric data (e.g. grids, sets, and graphs). However, equivariant architectures are usually highly constrained, designed for…

机器学习 · 计算机科学 2026-03-23 Abhinav Goel , Derek Lim , Hannah Lawrence , Stefanie Jegelka , Ningyuan Huang

Neural networks (NN) have achieved state-of-the-art performance in various applications. Unfortunately in applications where training data is insufficient, they are often prone to overfitting. One effective way to alleviate this problem is…

机器学习 · 计算机科学 2016-11-03 Hao Wang , Xingjian Shi , Dit-Yan Yeung

In recent years, deep learning techniques have shown great success in various tasks related to inverse problems, where a target quantity of interest can only be observed through indirect measurements by a forward operator. Common approaches…

数值分析 · 数学 2024-03-18 Matthias Beckmann , Nick Heilenkötter

Symmetry learning has proven to be an effective approach for extracting the hidden structure of data, with the concept of equivariance relation playing the central role. However, most of the current studies are built on architectural theory…

机器学习 · 统计学 2024-02-15 Masanori Koyama , Kenji Fukumizu , Kohei Hayashi , Takeru Miyato

Incorporating geometric invariance into neural networks enhances parameter efficiency but typically increases computational costs. This paper introduces new equivariant neural networks that preserve symmetry while maintaining a comparable…

计算机视觉与模式识别 · 计算机科学 2025-06-25 Georg Bökman , David Nordström , Fredrik Kahl

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…

机器学习 · 计算机科学 2025-06-25 Yuelin Zhang , Jiacheng Cen , Jiaqi Han , Wenbing Huang

Graph Neural Networks (GNNs) have paved the way for being a cornerstone in graph-related learning tasks. Yet, the ability of GNNs to capture structural interactions within graphs remains under-explored. In this work, we address this gap by…

机器学习 · 计算机科学 2025-03-04 Asela Hevapathige , Qing Wang

While (message-passing) graph neural networks have clear limitations in approximating permutation-equivariant functions over graphs or general relational data, more expressive, higher-order graph neural networks do not scale to large…

机器学习 · 计算机科学 2022-08-31 Christopher Morris , Gaurav Rattan , Sandra Kiefer , Siamak Ravanbakhsh

Invariant and equivariant networks have been successfully used for learning images, sets, point clouds, and graphs. A basic challenge in developing such networks is finding the maximal collection of invariant and equivariant linear layers.…

机器学习 · 计算机科学 2019-05-01 Haggai Maron , Heli Ben-Hamu , Nadav Shamir , Yaron Lipman

Group equivariant neural networks are growing in importance owing to their ability to generalise well in applications where the data has known underlying symmetries. Recent characterisations of a class of these networks that use high-order…

机器学习 · 计算机科学 2024-12-17 Edward Pearce-Crump , William J. Knottenbelt

Spherical equivariant graph neural networks (EGNNs) provide a principled framework for learning on three-dimensional molecular and biomolecular systems, where predictions must respect the rotational symmetries inherent in physics. These…

机器学习 · 计算机科学 2025-12-17 Sophia Tang

Most existing neural networks for learning graphs address permutation invariance by conceiving of the network as a message passing scheme, where each node sums the feature vectors coming from its neighbors. We argue that this imposes a…

机器学习 · 计算机科学 2018-01-09 Risi Kondor , Hy Truong Son , Horace Pan , Brandon Anderson , Shubhendu Trivedi

The effectiveness of neural processes (NPs) in modelling posterior prediction maps -- the mapping from data to posterior predictive distributions -- has significantly improved since their inception. This improvement can be attributed to two…

In recent studies, neural message passing has proved to be an effective way to design graph neural networks (GNNs), which have achieved state-of-the-art performance in many graph-based tasks. However, current neural-message passing…

机器学习 · 计算机科学 2021-04-21 Wentao Zhang , Yu Shen , Zheyu Lin , Yang Li , Xiaosen Li , Wen Ouyang , Yangyu Tao , Zhi Yang , Bin Cui

Training deep graph neural networks (GNNs) poses a challenging task, as the performance of GNNs may suffer from the number of hidden message-passing layers. The literature has focused on the proposals of {over-smoothing} and…

机器学习 · 统计学 2023-02-27 Yirui Liu , Xinghao Qiao , Liying Wang , Jessica Lam