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Multiplicative stochasticity such as Dropout improves the robustness and generalizability of deep neural networks. Here, we further demonstrate that always-on multiplicative stochasticity combined with simple threshold neurons are…

机器学习 · 计算机科学 2019-10-29 Georgios Detorakis , Sourav Dutta , Abhishek Khanna , Matthew Jerry , Suman Datta , Emre Neftci

Machine-learning (ML) force fields enable large-scale simulations with near-first-principles accuracy at substantially reduced computational cost. Recent work has extended ML force-field approaches to adiabatic dynamical simulations of…

强关联电子 · 物理学 2026-01-08 Yunhao Fan , Gia-Wei Chern

We study the problem of learning equivariant neural networks via gradient descent. The incorporation of known symmetries ("equivariance") into neural nets has empirically improved the performance of learning pipelines, in domains ranging…

机器学习 · 计算机科学 2024-01-04 Bobak T. Kiani , Thien Le , Hannah Lawrence , Stefanie Jegelka , Melanie Weber

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

Graph Neural Networks (GNNs) have emerged as a powerful tool to learn from graph-structured data. A paramount example of such data is the brain, which operates as a network, from the micro-scale of neurons, to the macro-scale of regions.…

机器学习 · 计算机科学 2022-11-17 Ahmed ElGazzar , Rajat Thomas , Guido van Wingen

Symmetries (transformations by group actions) are present in many datasets, and leveraging them holds considerable promise for improving predictions in machine learning. In this work, we aim to understand when and how deep networks -- with…

机器学习 · 计算机科学 2025-06-27 Andrea Perin , Stephane Deny

Various classes of Graph Neural Networks (GNN) have been proposed and shown to be successful in a wide range of applications with graph structured data. In this paper, we propose a theoretical framework able to compare the expressive power…

机器学习 · 计算机科学 2021-06-08 Waïss Azizian , Marc Lelarge

We consider solving partial differential equations (PDEs) with Fourier neural operators (FNOs), which operate in the frequency domain. Since the laws of physics do not depend on the coordinate system used to describe them, it is desirable…

机器学习 · 计算机科学 2023-07-28 Jacob Helwig , Xuan Zhang , Cong Fu , Jerry Kurtin , Stephan Wojtowytsch , Shuiwang Ji

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…

机器学习 · 计算机科学 2025-03-31 Hannah Lawrence , Vasco Portilheiro , Yan Zhang , Sékou-Oumar Kaba

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…

机器学习 · 计算机科学 2025-04-30 Elias Nyholm , Oscar Carlsson , Maurice Weiler , Daniel Persson

Recently, many works have demonstrated that Symmetric Non-negative Matrix Factorization~(SymNMF) enjoys a great superiority for various clustering tasks. Although the state-of-the-art algorithms for SymNMF perform well on synthetic data,…

机器学习 · 计算机科学 2022-05-27 Mingjie Li , Hao Kong , Zhouchen Lin

Graph neural networks (GNNs) have recently emerged as a dominant paradigm for machine learning with graphs. Research on GNNs has mainly focused on the family of message passing neural networks (MPNNs). Similar to the Weisfeiler-Leman (WL)…

机器学习 · 统计学 2022-07-05 Giannis Nikolentzos , George Dasoulas , Michalis Vazirgiannis

Permutation equivariant neural networks employing parameter-sharing schemes have emerged as powerful models for leveraging a wide range of data symmetries, significantly enhancing the generalization and computational efficiency of the…

机器学习 · 计算机科学 2026-03-10 Ran Elbaz , Guy Bar-Shalom , Yam Eitan , Fabrizio Frasca , Haggai Maron

Convolutional Neural Networks(CNN) are inherently equivariant under translations, however, they do not have an equivalent embedded mechanism to handle other transformations such as rotations and change in scale. Several approaches exist…

计算机视觉与模式识别 · 计算机科学 2021-11-30 Naman Khetan , Tushar Arora , Samee Ur Rehman , Deepak K. Gupta

The universal approximation theorem establishes that neural networks can approximate any continuous function on a compact set. Later works in approximation theory provide quantitative approximation rates for ReLU networks on the class of…

机器学习 · 计算机科学 2026-04-17 Jonathan W. Siegel , Snir Hordan , Hannah Lawrence , Ali Syed , Nadav Dym

Many machine learning tasks involve learning functions that are known to be invariant or equivariant to certain symmetries of the input data. However, it is often challenging to design neural network architectures that respect these…

机器学习 · 计算机科学 2022-03-17 Omri Puny , Matan Atzmon , Heli Ben-Hamu , Ishan Misra , Aditya Grover , Edward J. Smith , Yaron Lipman

Currently, increasingly deeper neural networks have been applied to improve their accuracy. In contrast, We propose a novel wider Convolutional Neural Networks (CNN) architecture, motivated by the Multi-column Deep Neural Networks and the…

计算机视觉与模式识别 · 计算机科学 2018-10-10 Xiaobo Huang

The effectiveness of neural processes (NPs) in modelling posterior prediction maps -- the mapping from data to posterior predictive distributions -- has significantly improved since their inception. This improvement can be attributed to two…

Group Convolutional Neural Networks (G-CNNs) constrain learned features to respect the symmetries in the selected group, and lead to better generalization when these symmetries appear in the data. If this is not the case, however,…

计算机视觉与模式识别 · 计算机科学 2023-01-18 David W. Romero , Suhas Lohit

Automatic tumor or lesion segmentation is a crucial step in medical image analysis for computer-aided diagnosis. Although the existing methods based on Convolutional Neural Networks (CNNs) have achieved the state-of-the-art performance,…

图像与视频处理 · 电气工程与系统科学 2022-08-01 Shuchao Pang , Anan Du , Mehmet A. Orgun , Yan Wang , Quan Z. Sheng , Shoujin Wang , Xiaoshui Huang , Zhenmei Yu