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Graph Neural Networks (GNNs) have become a dominant approach to learning graph representations, primarily because of their message-passing mechanisms. However, GNNs typically adopt a fixed aggregator function such as Mean, Max, or Sum…

Machine Learning · Computer Science 2025-07-29 Xuanting Xie , Bingheng Li , Erlin Pan , Zhao Kang , Wenyu Chen

Machine-learning interatomic potentials (MLIPs) have made a significant contribution to the recent progress in the fields of computational materials and chemistry due to the MLIPs' ability of accurately approximating energy landscapes of…

Computational Physics · Physics 2024-09-20 Max Hodapp , Alexander Shapeev

Many scientific problems require to process data in the form of geometric graphs. Unlike generic graph data, geometric graphs exhibit symmetries of translations, rotations, and/or reflections. Researchers have leveraged such inductive bias…

Machine Learning · Computer Science 2022-02-23 Jiaqi Han , Yu Rong , Tingyang Xu , Wenbing Huang

With the substantial performance of neural networks in sensitive fields increases the need for interpretable deep learning models. Major challenge is to uncover the multiscale and distributed representation hidden inside the basket mappings…

Computer Vision and Pattern Recognition · Computer Science 2022-11-10 Piduguralla Manaswini , Jignesh S. Bhatt

In the context of classification problems, Deep Learning (DL) approaches represent state of art. Many DL approaches are based on variations of standard multi-layer feed-forward neural networks. These are also referred to as deep networks.…

Machine Learning · Computer Science 2023-11-21 Andrea Apicella , Francesco Isgrò , Roberto Prevete

Recent advances in deep learning and Transformers have driven major breakthroughs in robotics by employing techniques such as imitation learning, reinforcement learning, and LLM-based multimodal perception and decision-making. However,…

Euclidean E(3) equivariant neural networks that employ scalar fields on position-orientation space M(3) have been effectively applied to tasks such as predicting molecular dynamics and properties. To perform equivariant convolutional-like…

Differential Geometry · Mathematics 2025-07-04 Gijs Bellaard , Bart M. N. Smets , Remco Duits

Recent work has constructed neural networks that are equivariant to continuous symmetry groups such as 2D and 3D rotations. This is accomplished using explicit Lie group representations to derive the equivariant kernels and nonlinearities.…

Machine Learning · Computer Science 2022-12-08 Noah Shutty , Casimir Wierzynski

There is currently a debate within the neuroscience community over the likelihood of the brain performing backpropagation (BP). To better mimic the brain, training a network $\textit{one layer at a time}$ with only a "single forward pass"…

Machine Learning · Statistics 2022-02-10 Chieh Wu , Aria Masoomi , Arthur Gretton , Jennifer Dy

Deep learning has been widely applied and brought breakthroughs in speech recognition, computer vision, and many other domains. The involved deep neural network architectures and computational issues have been well studied in machine…

Machine Learning · Computer Science 2018-07-23 Ding-Xuan Zhou

The Symmetric group $S_{n}$ manifests itself in large classes of quantum systems as the invariance of certain characteristics of a quantum state with respect to permuting the qubits. The subgroups of $S_{n}$ arise, among many other…

Quantum Physics · Physics 2024-11-19 Sreetama Das , Filippo Caruso

We present a constructive universal approximation theorem for learning machines equipped with joint-group-equivariant feature maps, called the joint-equivariant machines, based on the group representation theory. ``Constructive'' here…

Machine Learning · Computer Science 2025-06-10 Sho Sonoda , Yuka Hashimoto , Isao Ishikawa , Masahiro Ikeda

We show that deep narrow Boltzmann machines are universal approximators of probability distributions on the activities of their visible units, provided they have sufficiently many hidden layers, each containing the same number of units as…

Machine Learning · Statistics 2015-04-13 Guido Montufar

The translational equivariant nature of Convolutional Neural Networks (CNNs) is a reason for its great success in computer vision. However, networks do not enjoy more general equivariance properties such as rotation or scaling, ultimately…

Computer Vision and Pattern Recognition · Computer Science 2023-03-02 Zikai Sun , Thierry Blu

Feedforward neural networks have wide applicability in various disciplines of science due to their universal approximation property. Some authors have shown that single hidden layer feedforward neural networks (SLFNs) with fixed weights…

Neural and Evolutionary Computing · Computer Science 2018-01-04 Namig J. Guliyev , Vugar E. Ismailov

The ability of neural networks to represent more features than neurons makes interpreting them challenging. This phenomenon, known as superposition, has spurred efforts to find architectures that are more interpretable than standard…

Machine Learning · Computer Science 2023-05-08 Lee Sharkey

Recent success in training deep neural networks have prompted active investigation into the features learned on their intermediate layers. Such research is difficult because it requires making sense of non-linear computations performed by…

Machine Learning · Computer Science 2016-03-01 Yixuan Li , Jason Yosinski , Jeff Clune , Hod Lipson , John Hopcroft

We introduce a novel co-learning paradigm for manifolds naturally equipped with a group action, motivated by recent developments on learning a manifold from attached fibre bundle structures. We utilize a representation theoretic mechanism…

Machine Learning · Computer Science 2019-12-10 Yifeng Fan , Tingran Gao , Zhizhen Zhao

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

Geometric quantum machine learning uses the symmetries inherent in data to design tailored machine learning tasks with reduced search space dimension. The field has been well-studied recently in an effort to avoid barren plateau issues…

Quantum Physics · Physics 2025-07-14 Zachary P. Bradshaw , Ethan N. Evans , Matthew Cook , Margarite L. LaBorde