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Neural networks are powerful function estimators, leading to their status as a paradigm of choice for modeling structured data. However, unlike other structured representations that emphasize the modularity of the problem -- e.g., factor…

机器学习 · 计算机科学 2022-06-20 Tsvetomila Mihaylova , Vlad Niculae , André F. T. Martins

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,…

机器学习 · 计算机科学 2025-05-26 Edward Pearce-Crump

Group equivariance has emerged as a valuable inductive bias in deep learning, enhancing generalization, data efficiency, and robustness. Classically, group equivariant methods require the groups of interest to be known beforehand, which may…

The crucial role played by the underlying symmetries of high energy physics and lattice field theories calls for the implementation of such symmetries in the neural network architectures that are applied to the physical system under…

高能物理 - 格点 · 物理学 2022-02-16 Srinath Bulusu , Matteo Favoni , Andreas Ipp , David I. Müller , Daniel Schuh

Many data symmetries can be described in terms of group equivariance and the most common way of encoding group equivariances in neural networks is by building linear layers that are group equivariant. In this work we investigate whether…

机器学习 · 计算机科学 2023-12-11 Georg Bökman , Fredrik Kahl

We address the following question of neural network identifiability: Suppose we are given a function $f:\mathbb{R}^m\to\mathbb{R}^n$ and a nonlinearity $\rho$. Can we specify the architecture, weights, and biases of all feed-forward neural…

信息论 · 计算机科学 2020-10-23 Verner Vlačić , Helmut Bölcskei

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

Neural networks efficiently encode learned information within their parameters. Consequently, many tasks can be unified by treating neural networks themselves as input data. When doing so, recent studies demonstrated the importance of…

机器学习 · 计算机科学 2024-01-02 Derek Lim , Haggai Maron , Marc T. Law , Jonathan Lorraine , James Lucas

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…

量子物理 · 物理学 2024-11-19 Sreetama Das , Filippo Caruso

Equivariant neural networks are neural networks with symmetry. Motivated by the theory of group representations, we decompose the layers of an equivariant neural network into simple representations. The nonlinear activation functions lead…

机器学习 · 计算机科学 2026-03-30 Joel Gibson , Daniel Tubbenhauer , Geordie Williamson

Convolutional neural networks revolutionized computer vision and natrual language processing. Their efficiency, as compared to fully connected neural networks, has its origin in the architecture, where convolutions reflect the translation…

机器学习 · 计算机科学 2023-01-10 Patrick Krüger , Hanno Gottschalk

Equivariant neural networks have proven to be effective for tasks with known underlying symmetries. However, optimizing equivariant networks can be tricky and best training practices are less established than for standard networks. In…

机器学习 · 计算机科学 2025-11-04 YuQing Xie , Tess Smidt

Utilizing physics-informed neural networks (PINN) to solve partial differential equations (PDEs) becomes a hot issue and also shows its great powers, but still suffers from the dilemmas of limited predicted accuracy in the sampling domain…

机器学习 · 计算机科学 2025-04-08 Zhi-Yong Zhang , Jie-Ying Li , Lei-Lei Guo

Supervised learning with deep models has tremendous potential for applications in materials science. Recently, graph neural networks have been used in this context, drawing direct inspiration from models for molecules. However, materials…

材料科学 · 物理学 2023-01-18 Sékou-Oumar Kaba , Siamak Ravanbakhsh

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,…

机器学习 · 计算机科学 2024-01-18 Marco Pacini , Xiaowen Dong , Bruno Lepri , Gabriele Santin

We explore the role of group symmetries in binary classification tasks, presenting a novel framework that leverages the principles of Neyman-Pearson optimality. Contrary to the common intuition that larger symmetry groups lead to improved…

机器学习 · 计算机科学 2024-08-19 Vishal S. Ngairangbam , Michael Spannowsky

Incorporating inductive biases into ML models is an active area of ML research, especially when ML models are applied to data about the physical world. Equivariant Graph Neural Networks (GNNs) have recently become a popular method for…

机器学习 · 计算机科学 2023-11-07 Savannah Thais , Daniel Murnane

There has been much recent interest in designing neural networks (NNs) with relaxed equivariance, which interpolate between exact equivariance and full flexibility for consistent performance gains. In a separate line of work, structured…

机器学习 · 统计学 2025-04-21 Ashwin Samudre , Mircea Petrache , Brian D. Nord , Shubhendu Trivedi

Incorporating equivariance to symmetry groups as a constraint during neural network training can improve performance and generalization for tasks exhibiting those symmetries, but such symmetries are often not perfectly nor explicitly…

机器学习 · 计算机科学 2023-02-09 Kaitlin Maile , Dennis G. Wilson , Patrick Forré

Several indices used in a factor graph data structure can be permuted without changing the underlying probability distribution. An algorithm that performs inference on a factor graph should ideally be equivariant or invariant to…

机器学习 · 计算机科学 2021-09-30 Fan-Yun Sun , Jonathan Kuck , Hao Tang , Stefano Ermon