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Equivariant neural networks have shown improved performance, expressiveness and sample complexity on symmetrical domains. But for some specific symmetries, representations, and choice of coordinates, the most common point-wise activations,…

Machine Learning · Computer Science 2024-01-18 Marco Pacini , Xiaowen Dong , Bruno Lepri , Gabriele Santin

Representing and reasoning about 3D structures of macromolecules is emerging as a distinct challenge in machine learning. Here, we extend recent work on geometric vector perceptrons and apply equivariant graph neural networks to a wide…

Machine Learning · Computer Science 2021-07-14 Bowen Jing , Stephan Eismann , Pratham N. Soni , Ron O. Dror

Equivariant neural networks, whose hidden features transform according to representations of a group G acting on the data, exhibit training efficiency and an improved generalisation performance. In this work, we extend group invariant and…

Machine Learning · Computer Science 2024-04-15 Robin Winter , Marco Bertolini , Tuan Le , Frank Noé , Djork-Arné Clevert

From early image processing to modern computational imaging, successful models and algorithms have relied on a fundamental property of natural signals: symmetry. Here symmetry refers to the invariance property of signal sets to…

Signal Processing · Electrical Eng. & Systems 2022-09-07 Dongdong Chen , Mike Davies , Matthias J. Ehrhardt , Carola-Bibiane Schönlieb , Ferdia Sherry , Julián Tachella

Many quantities we are interested in predicting are geometric tensors; we refer to this class of problems as geometric prediction. Attempts to perform geometric prediction in real-world scenarios have been limited to approximating them…

Machine Learning · Computer Science 2020-06-26 Raphael J. L. Townshend , Brent Townshend , Stephan Eismann , Ron O. Dror

Quantum neural network architectures that have little-to-no inductive biases are known to face trainability and generalization issues. Inspired by a similar problem, recent breakthroughs in machine learning address this challenge by…

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…

Numerical Analysis · Mathematics 2024-03-18 Matthias Beckmann , Nick Heilenkötter

This paper presents a novel framework for non-linear equivariant neural network layers on homogeneous spaces. The seminal work of Cohen et al. on equivariant $G$-CNNs on homogeneous spaces characterized the representation theory of such…

Machine Learning · Computer Science 2025-04-30 Elias Nyholm , Oscar Carlsson , Maurice Weiler , Daniel Persson

Learning and reasoning about 3D molecular structures with varying size is an emerging and important challenge in machine learning and especially in drug discovery. Equivariant Graph Neural Networks (GNNs) can simultaneously leverage the…

Machine Learning · Computer Science 2022-03-03 Tuan Le , Frank Noé , Djork-Arné Clevert

The set of functions parameterized by a linear fully-connected neural network is a determinantal variety. We investigate the subvariety of functions that are equivariant or invariant under the action of a permutation group. Examples of such…

Machine Learning · Computer Science 2025-01-13 Kathlén Kohn , Anna-Laura Sattelberger , Vahid Shahverdi

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

The task of fully inductive link prediction in knowledge graphs has gained significant attention, with various graph neural networks being proposed to address it. This task presents greater challenges than traditional inductive link…

Machine Learning · Computer Science 2025-01-15 Jincheng Zhou , Yucheng Zhang , Jianfei Gao , Yangze Zhou , Bruno Ribeiro

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…

Computer Vision and Pattern Recognition · Computer Science 2020-02-11 David W. Romero , Mark Hoogendoorn

Many successful deep learning architectures are equivariant to certain transformations in order to conserve parameters and improve generalization: most famously, convolution layers are equivariant to shifts of the input. This approach only…

Machine Learning · Computer Science 2021-03-31 Allan Zhou , Tom Knowles , Chelsea Finn

Incorporating permutation equivariance into neural networks has proven to be useful in ensuring that models respect symmetries that exist in data. Symmetric tensors, which naturally appear in statistics, machine learning, and graph theory,…

Machine Learning · Computer Science 2025-05-26 Edward Pearce-Crump

The translation equivariance of convolutions can make convolutional neural networks translation equivariant or invariant. Equivariance to other transformations (e.g. rotations, affine transformations, scalings) may also be desirable as soon…

Signal Processing · Electrical Eng. & Systems 2021-05-05 Mateus Sangalli , Samy Blusseau , Santiago Velasco-Forero , Jesus Angulo

Latent representations are used extensively for downstream tasks, such as visualization, interpolation or feature extraction of deep learning models. Invariant and equivariant neural networks are powerful and well-established models for…

Machine Learning · Computer Science 2025-01-16 Andreas Abildtrup Hansen , Anna Calissano , Aasa Feragen

Geometric deep learning enables the encoding of physical symmetries in modeling 3D objects. Despite rapid progress in encoding 3D symmetries into Graph Neural Networks (GNNs), a comprehensive evaluation of the expressiveness of these…

Machine Learning · Computer Science 2023-04-12 Weitao Du , Yuanqi Du , Limei Wang , Dieqiao Feng , Guifeng Wang , Shuiwang Ji , Carla Gomes , Zhi-Ming Ma

Analyzing scalar and vector fields on the sphere, such as temperature or wind speed and direction on Earth, is a difficult task. Models should respect both the rotational symmetries of the sphere and the inherent symmetries of the vector…

Machine Learning · Computer Science 2026-04-01 Francesco Ballerin , Nello Blaser , Erlend Grong

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.…

Machine Learning · Computer Science 2019-05-01 Haggai Maron , Heli Ben-Hamu , Nadav Shamir , Yaron Lipman