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Metanetworks are neural architectures designed to operate directly on pretrained weights to perform downstream tasks. However, the parameter space serves only as a proxy for the underlying function class, and the parameter-function mapping…

机器学习 · 计算机科学 2026-04-28 Viet-Hoang Tran , An Nguyen , Benoît Guérand , Thieu N. Vo , Tan M. Nguyen

Most existing expressivity theories for neural networks assume exact real arithmetic, whereas practical neural networks are executed under finite-precision floating-point arithmetic with implementation-dependent execution semantics. Recent…

机器学习 · 计算机科学 2026-05-28 Yeachan Park , Geonho Hwang , Wonyeol Lee , Sejun Park

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…

机器学习 · 计算机科学 2025-01-16 Andreas Abildtrup Hansen , Anna Calissano , Aasa Feragen

Message passing neural networks have become a method of choice for learning on graphs, in particular the prediction of chemical properties and the acceleration of molecular dynamics studies. While they readily scale to large training data…

机器学习 · 计算机科学 2021-06-08 Kristof T. Schütt , Oliver T. Unke , Michael Gastegger

How can prior knowledge on the transformation invariances of a domain be incorporated into the architecture of a neural network? We propose Equivariant Transformers (ETs), a family of differentiable image-to-image mappings that improve the…

计算机视觉与模式识别 · 计算机科学 2019-05-28 Kai Sheng Tai , Peter Bailis , Gregory Valiant

We provide a theoretical explanation of the role of the number of nodes at each layer in deep neural networks. We prove that the largest variation of a deep neural network with ReLU activation function arises when the layer with the fewest…

机器学习 · 统计学 2018-12-11 Yongdai Kim , Dongha Kim

In this paper, we introduce group convolutional neural networks (GCNNs) equivariant to color variation. GCNNs have been designed for a variety of geometric transformations from 2D and 3D rotation groups, to semi-groups such as scale.…

计算机视觉与模式识别 · 计算机科学 2026-04-14 Yulong Yang , Felix O'Mahony , Christine Allen-Blanchette

Most state-of-the-art neural network potentials do not account for molecular attributes other than atomic numbers and positions, which limits its range of applicability by design. In this work, we demonstrate the importance of including…

机器学习 · 计算机科学 2025-02-10 Guillem Simeon , Antonio Mirarchi , Raul P. Pelaez , Raimondas Galvelis , Gianni De Fabritiis

This article is concerned with the approximation and expressive powers of deep neural networks. This is an active research area currently producing many interesting papers. The results most commonly found in the literature prove that neural…

机器学习 · 计算机科学 2019-05-08 I. Daubechies , R. DeVore , S. Foucart , B. Hanin , G. Petrova

We consider functions from the real numbers to the real numbers, output by a neural network with 1 hidden activation layer, arbitrary width, and ReLU activation function. We assume that the parameters of the neural network are chosen…

机器学习 · 计算机科学 2023-04-20 David Holmes

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…

机器学习 · 计算机科学 2024-05-24 Zimu Li , Zihan Pengmei , Han Zheng , Erik Thiede , Junyu Liu , Risi Kondor

Data arrives at our senses as a continuous stream, smoothly transforming from one instant to the next. These smooth transformations can be viewed as continuous symmetries of the environment that we inhabit, defining equivalence relations…

机器学习 · 计算机科学 2025-12-02 T. Anderson Keller

Deep neural networks lack straightforward ways to incorporate domain knowledge and are notoriously considered black boxes. Prior works attempted to inject domain knowledge into architectures implicitly through data augmentation. Building on…

机器学习 · 计算机科学 2022-11-18 Emmanouil Theodosis , Demba Ba

Group symmetry is inherent in a wide variety of data distributions. Data processing that preserves symmetry is described as an equivariant map and often effective in achieving high performance. Convolutional neural networks (CNNs) have been…

机器学习 · 统计学 2020-12-29 Wataru Kumagai , Akiyoshi Sannai

Equivariances provide useful inductive biases in neural network modeling, with the translation equivariance of convolutional neural networks being a canonical example. Equivariances can be embedded in architectures through weight-sharing…

机器学习 · 计算机科学 2022-11-15 Tycho F. A. van der Ouderaa , David W. Romero , Mark van der Wilk

We provide a full characterisation of all of the possible alternating group ($A_n$) equivariant neural networks whose layers are some tensor power of $\mathbb{R}^{n}$. In particular, we find a basis of matrices for the learnable, linear,…

机器学习 · 计算机科学 2023-06-21 Edward Pearce-Crump

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…

机器学习 · 计算机科学 2019-05-15 Taco S. Cohen , Maurice Weiler , Berkay Kicanaoglu , Max Welling

Convolutional neural networks are ubiquitous in Machine Learning applications for solving a variety of problems. They however can not be used in their native form when the domain of the data is commonly encountered manifolds such as the…

计算机视觉与模式识别 · 计算机科学 2018-08-08 Rudrasis Chakraborty , Monami Banerjee , Baba C. Vemuri

Symmetry is present in many tasks in computer vision, where the same class of objects can appear transformed, e.g. rotated due to different camera orientations, or scaled due to perspective. The knowledge of such symmetries in data coupled…

图像与视频处理 · 电气工程与系统科学 2022-07-25 Mateus Sangalli , Samy Blusseau , Santiago Velasco-Forero , Jesús Angulo

We introduce Group equivariant Convolutional Neural Networks (G-CNNs), a natural generalization of convolutional neural networks that reduces sample complexity by exploiting symmetries. G-CNNs use G-convolutions, a new type of layer that…

机器学习 · 计算机科学 2016-06-06 Taco S. Cohen , Max Welling