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This paper introduces a new model to learn graph neural networks equivariant to rotations, translations, reflections and permutations called E(n)-Equivariant Graph Neural Networks (EGNNs). In contrast with existing methods, our work does…

Machine Learning · Computer Science 2022-02-17 Victor Garcia Satorras , Emiel Hoogeboom , Max Welling

Recent work has established the equivalence between deep neural networks and Gaussian processes (GPs), resulting in so-called neural network Gaussian processes (NNGPs). The behaviour of these models depends on the initialisation of the…

Machine Learning · Computer Science 2020-07-15 Arnu Pretorius , Herman Kamper , Steve Kroon

There is a growing amount of literature on the relationship between wide neural networks (NNs) and Gaussian processes (GPs), identifying an equivalence between the two for a variety of NN architectures. This equivalence enables, for…

Machine Learning · Statistics 2020-06-19 Jiri Hron , Yasaman Bahri , Jascha Sohl-Dickstein , Roman Novak

Nowadays the development of new functional materials/chemical compounds using machine learning (ML) techniques is a hot topic and includes several crucial steps, one of which is the choice of chemical structure representation. Classical…

Computational Physics · Physics 2020-06-11 Vadim Korolev , Artem Mitrofanov , Alexandru Korotcov , Valery Tkachenko

Since their first applications, Convolutional Neural Networks (CNNs) have solved problems that have advanced the state-of-the-art in several domains. CNNs represent information using real numbers. Despite encouraging results, theoretical…

Artificial Intelligence · Computer Science 2025-12-22 Gerardo Altamirano-Gomez , Carlos Gershenson

The Gaussian graphical model (GGM) has become a popular tool for analyzing networks of psychological variables. In a recent paper in this journal, Forbes, Wright, Markon, and Krueger (FWMK) voiced the concern that GGMs that are estimated…

Methodology · Statistics 2020-07-22 Lourens Waldorp , Maarten Marsman

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

Gaussian processes (GP) are Bayesian non-parametric models that are widely used for probabilistic regression. Unfortunately, it cannot scale well with large data nor perform real-time predictions due to its cubic time cost in the data size.…

Machine Learning · Computer Science 2014-08-12 Jie Chen , Nannan Cao , Kian Hsiang Low , Ruofei Ouyang , Colin Keng-Yan Tan , Patrick Jaillet

Gaussian processes (GP) are Bayesian non-parametric models that are widely used for probabilistic regression. Unfortunately, it cannot scale well with large data nor perform real-time predictions due to its cubic time cost in the data size.…

Machine Learning · Statistics 2013-05-27 Jie Chen , Nannan Cao , Kian Hsiang Low , Ruofei Ouyang , Colin Keng-Yan Tan , Patrick Jaillet

Exploiting symmetries and invariance in data is a powerful, yet not fully exploited, way to achieve better generalisation with more efficiency. In this paper, we introduce two graph network architectures that are equivariant to several…

Machine Learning · Computer Science 2021-06-01 Francesco Farina , Emma Slade

Graph Convolutional Networks (GCNs) are specialized neural networks for feature extraction from graph-structured data. In contrast to traditional convolutional networks, GCNs offer distinct advantages when processing irregular data, which…

Quantum Physics · Physics 2025-03-11 Zi Ye , Kai Yu , Song Lin

In this work we establish the relation between optimal control and training deep Convolution Neural Networks (CNNs). We show that the forward propagation in CNNs can be interpreted as a time-dependent nonlinear differential equation and…

Neural and Evolutionary Computing · Computer Science 2017-06-23 Eldad Haber , Lars Ruthotto , Elliot Holtham , Seong-Hwan Jun

Recent years have witnessed an increasing interest in the correspondence between infinitely wide networks and Gaussian processes. Despite the effectiveness and elegance of the current neural network Gaussian process theory, to the best of…

Machine Learning · Computer Science 2022-07-06 Shao-Qun Zhang , Fei Wang , Feng-Lei Fan

Devising and analyzing learning models for spatiotemporal network data is of importance for tasks including forecasting, anomaly detection, and multi-agent coordination, among others. Graph Convolutional Neural Networks (GCNNs) are an…

Machine Learning · Computer Science 2022-07-01 Mohammad Sabbaqi , Elvin Isufi

Convolutional neural networks (CNNs) are widely used for image recognition and text analysis, and have been suggested for application on one-dimensional data as a way to reduce the need for pre-processing steps. Pre-processing is an…

Machine Learning · Computer Science 2020-05-18 Ine L. Jernelv , Dag Roar Hjelme , Yuji Matsuura , Astrid Aksnes

At present, there are a large number of quantum neural network models to deal with Euclidean spatial data, while little research have been conducted on non-Euclidean spatial data. In this paper, we propose a novel quantum graph…

Signal Processing · Electrical Eng. & Systems 2021-07-08 Jin Zheng , Qing Gao , Yanxuan Lv

In Reinforcement Learning (RL), Convolutional Neural Networks(CNNs) have been successfully applied as function approximators in Deep Q-Learning algorithms, which seek to learn action-value functions and policies in various environments.…

Machine Learning · Computer Science 2020-07-08 Arnab Kumar Mondal , Pratheeksha Nair , Kaleem Siddiqi

There is a recent and growing literature on large-width asymptotic and non-asymptotic properties of deep Gaussian neural networks (NNs), namely NNs with weights initialized as Gaussian distributions. For a Gaussian NN of depth $L\geq1$ and…

Machine Learning · Computer Science 2025-06-24 Alberto Bordino , Stefano Favaro , Sandra Fortini

Network data can be conveniently modeled as a graph signal, where data values are assigned to nodes of a graph that describes the underlying network topology. Successful learning from network data is built upon methods that effectively…

Machine Learning · Computer Science 2021-05-26 Fernando Gama , Elvin Isufi , Geert Leus , Alejandro Ribeiro

Convolution Neural Networks on Graphs are important generalization and extension of classical CNNs. While previous works generally assumed that the graph structures of samples are regular with unified dimensions, in many applications, they…

Machine Learning · Computer Science 2017-08-17 Ruoyu Li , Junzhou Huang
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