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Many learning tasks, including learning potential energy surfaces from ab initio calculations, involve global spatial symmetries and permutational symmetry between atoms or general particles. Equivariant graph neural networks are a standard…

Machine Learning · Computer Science 2024-05-24 Zimu Li , Zihan Pengmei , Han Zheng , Erik Thiede , Junyu Liu , Risi Kondor

In the past years, artificial neural networks (ANNs) have become the de-facto standard to solve tasks in communications engineering that are difficult to solve with traditional methods. In parallel, the artificial intelligence community…

Signal Processing · Electrical Eng. & Systems 2023-01-19 Eike-Manuel Bansbach , Alexander von Bank , Laurent Schmalen

Sparse autoencoders (SAEs) have proven useful in disentangling the opaque activations of neural networks, primarily large language models, into sets of interpretable features. However, adapting them to domains beyond language, such as…

Machine Learning · Computer Science 2025-11-13 Ege Erdogan , Ana Lucic

Incorporating symmetry as an inductive bias into neural network architecture has led to improvements in generalization, data efficiency, and physical consistency in dynamics modeling. Methods such as CNNs or equivariant neural networks use…

Machine Learning · Computer Science 2022-06-17 Rui Wang , Robin Walters , Rose Yu

Learning representations of well-trained neural network models holds the promise to provide an understanding of the inner workings of those models. However, previous work has either faced limitations when processing larger networks or was…

Machine Learning · Computer Science 2024-06-17 Konstantin Schürholt , Michael W. Mahoney , Damian Borth

Stochastic neighbor embedding (SNE) and related nonlinear manifold learning algorithms achieve high-quality low-dimensional representations of similarity data, but are notoriously slow to train. We propose a generic formulation of embedding…

Machine Learning · Computer Science 2012-06-22 Max Vladymyrov , Miguel Carreira-Perpinan

This work investigates use of equivariant neural networks as efficient and high-performance frameworks for image reconstruction and denoising in nuclear medicine. Our work aims to tackle limitations of conventional Convolutional Neural…

Image and Video Processing · Electrical Eng. & Systems 2025-02-03 Amirreza Hashemi , Yuemeng Feng , Arman Rahmim , Hamid Sabet

The principle of equivariance to symmetry transformations enables a theoretically grounded approach to neural network architecture design. Equivariant networks have shown excellent performance and data efficiency on vision and medical…

Machine Learning · Computer Science 2019-05-15 Taco S. Cohen , Maurice Weiler , Berkay Kicanaoglu , Max Welling

Convolutional neural networks (CNNs) allow for parameter sharing and translational equivariance by using convolutional kernels in their linear layers. By restricting these kernels to be SO(3)-steerable, CNNs can further improve parameter…

Image and Video Processing · Electrical Eng. & Systems 2024-05-20 Ivan Diaz , Mario Geiger , Richard Iain McKinley

Kolmogorov-Arnold Networks (KANs) have seen great success in scientific domains thanks to spline activation functions, becoming an alternative to Multi-Layer Perceptrons (MLPs). However, spline functions may not respect symmetry in tasks,…

Machine Learning · Computer Science 2025-08-18 Lexiang Hu , Yisen Wang , Zhouchen Lin

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

Recent work has shown the utility of developing machine learning models that respect the structure and symmetries of eigenvectors. These works promote sign invariance, since for any eigenvector v the negation -v is also an eigenvector.…

Machine Learning · Computer Science 2023-12-06 Derek Lim , Joshua Robinson , Stefanie Jegelka , Haggai Maron

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

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

Learning to represent and simulate the dynamics of physical systems is a crucial yet challenging task. Existing equivariant Graph Neural Network (GNN) based methods have encapsulated the symmetry of physics, \emph{e.g.}, translations,…

Machine Learning · Computer Science 2024-06-11 Liming Wu , Zhichao Hou , Jirui Yuan , Yu Rong , Wenbing Huang

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…

Machine Learning · Computer Science 2022-08-31 Christopher Morris , Gaurav Rattan , Sandra Kiefer , Siamak Ravanbakhsh

Applications of machine learning techniques for materials modeling typically involve functions known to be equivariant or invariant to specific symmetries. While graph neural networks (GNNs) have proven successful in such tasks, they…

Equivariance to symmetries has proven to be a powerful inductive bias in deep learning research. Recent works on mesh processing have concentrated on various kinds of natural symmetries, including translations, rotations, scaling, node…

Machine Learning · Computer Science 2022-08-30 Sourya Basu , Jose Gallego-Posada , Francesco Viganò , James Rowbottom , Taco Cohen

Benefiting from the event-driven and sparse spiking characteristics of the brain, spiking neural networks (SNNs) are becoming an energy-efficient alternative to artificial neural networks (ANNs). However, the performance gap between SNNs…

Computer Vision and Pattern Recognition · Computer Science 2022-09-29 Man Yao , Guangshe Zhao , Hengyu Zhang , Yifan Hu , Lei Deng , Yonghong Tian , Bo Xu , Guoqi Li

Equivariance encodes known symmetries into neural networks, often enhancing generalization. However, equivariant networks cannot break symmetries: the output of an equivariant network must, by definition, have at least the same…

Machine Learning · Computer Science 2025-03-31 Hannah Lawrence , Vasco Portilheiro , Yan Zhang , Sékou-Oumar Kaba