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Graph neural networks (GNNs) are the most widely adopted model in graph-structured data oriented learning and representation. Despite their extraordinary success in real-world applications, understanding their working mechanism by theory is…

Machine Learning · Computer Science 2023-05-16 Huayi Tang , Yong Liu

Most Graph Neural Networks (GNNs) predict the labels of unseen graphs by learning the correlation between the input graphs and labels. However, by presenting a graph classification investigation on the training graphs with severe bias,…

Machine Learning · Computer Science 2022-09-29 Shaohua Fan , Xiao Wang , Yanhu Mo , Chuan Shi , Jian Tang

Bayesian neural networks utilize probabilistic layers that capture uncertainty over weights and activations, and are trained using Bayesian inference. Since these probabilistic layers are designed to be drop-in replacement of their…

Machine Learning · Computer Science 2021-06-28 Daniel T. Chang

Discriminative linear models are a popular tool in machine learning. These can be generally divided into two types: The first is linear classifiers, such as support vector machines, which are well studied and provide state-of-the-art…

Machine Learning · Computer Science 2012-07-02 Koby Crammer , Amir Globerson

Patterns stored within pre-trained deep neural networks compose large and powerful descriptive languages that can be used for many different purposes. Typically, deep network representations are implemented within vector embedding spaces,…

Neural and Evolutionary Computing · Computer Science 2017-08-10 Dario Garcia-Gasulla , Armand Vilalta , Ferran Parés , Jonatan Moreno , Eduard Ayguadé , Jesus Labarta , Ulises Cortés , Toyotaro Suzumura

We introduce the framework of continuous--depth graph neural networks (GNNs). Graph neural ordinary differential equations (GDEs) are formalized as the counterpart to GNNs where the input-output relationship is determined by a continuum of…

Machine Learning · Computer Science 2021-06-23 Michael Poli , Stefano Massaroli , Junyoung Park , Atsushi Yamashita , Hajime Asama , Jinkyoo Park

Deep learning's success has been widely recognized in a variety of machine learning tasks, including image classification, audio recognition, and natural language processing. As an extension of deep learning beyond these domains, graph…

Machine Learning · Computer Science 2021-07-22 Zhiqian Chen , Fanglan Chen , Lei Zhang , Taoran Ji , Kaiqun Fu , Liang Zhao , Feng Chen , Lingfei Wu , Charu Aggarwal , Chang-Tien Lu

It is often possible to perform reduced order modelling by specifying linear subspace which accurately captures the dynamics of the system. This approach becomes especially appealing when linear subspace explicitly depends on parameters of…

Machine Learning · Computer Science 2026-04-17 Vladimir Fanaskov , Vladislav Trifonov , Alexander Rudikov , Ekaterina Muravleva , Ivan Oseledets

Many problems in machine learning can be expressed by means of a graph with nodes representing training samples and edges representing the relationship between samples in terms of similarity, temporal proximity, or label information. Graphs…

Machine Learning · Computer Science 2019-09-19 Laurenz Wiskott , Fabian Schönfeld

In many domains where data are represented as graphs, learning a similarity metric among graphs is considered a key problem, which can further facilitate various learning tasks, such as classification, clustering, and similarity search.…

Machine Learning · Computer Science 2020-10-06 Guixiang Ma , Nesreen K. Ahmed , Theodore L. Willke , Philip S. Yu

Deep learning algorithms demonstrate a surprising ability to learn high-dimensional tasks from limited examples. This is commonly attributed to the depth of neural networks, enabling them to build a hierarchy of abstract, low-dimensional…

Machine Learning · Computer Science 2024-07-04 Francesco Cagnetta , Leonardo Petrini , Umberto M. Tomasini , Alessandro Favero , Matthieu Wyart

Deep learning models are often considered black boxes due to their complex hierarchical transformations. Identifying suitable architectures is crucial for maximizing predictive performance with limited data. Understanding the geometric…

Machine Learning · Computer Science 2025-03-11 Michael Wienczkowski , Addisu Desta , Paschal Ugochukwu

Label propagation is a powerful and flexible semi-supervised learning technique on graphs. Neural networks, on the other hand, have proven track records in many supervised learning tasks. In this work, we propose a training framework with a…

Machine Learning · Computer Science 2017-03-16 Thang D. Bui , Sujith Ravi , Vivek Ramavajjala

While physics conveys knowledge of nature built from an interplay between observations and theory, it has been considered less importantly in deep neural networks. Especially, there are few works leveraging physics behaviors when the…

Machine Learning · Computer Science 2019-02-12 Sungyong Seo , Yan Liu

In this work we systematically analyze general properties of differential equations used as machine learning models. We demonstrate that the gradient of the loss function with respect to to the hidden state can be considered as a…

Machine Learning · Statistics 2019-10-30 Julius Ruseckas

Graphical Gaussian models have proven to be useful tools for exploring network structures based on multivariate data. Applications to studies of gene expression have generated substantial interest in these models, and resulting recent…

Machine Learning · Computer Science 2014-08-12 Michael A. Finegold , Mathias Drton

Graph neural network (GNN) is a popular tool to learn the lower-dimensional representation of a graph. It facilitates the applicability of machine learning tasks on graphs by incorporating domain-specific features. There are various options…

Machine Learning · Computer Science 2020-08-21 Md. Khaledur Rahman

Understanding the advantages of deep neural networks trained by gradient descent (GD) compared to shallow models remains an open theoretical challenge. In this paper, we introduce a class of target functions (single and multi-index Gaussian…

Machine Learning · Statistics 2025-11-17 Yatin Dandi , Luca Pesce , Lenka Zdeborová , Florent Krzakala

Graphical models are powerful tools for modeling high-dimensional data, but learning graphical models in the presence of latent variables is well-known to be difficult. In this work we give new results for learning Restricted Boltzmann…

Machine Learning · Computer Science 2020-07-28 Surbhi Goel , Adam Klivans , Frederic Koehler

Graph representation learning aims to encode all nodes of a graph into low-dimensional vectors that will serve as input of many compute vision tasks. However, most existing algorithms ignore the existence of inherent data distribution and…

Machine Learning · Computer Science 2020-08-04 Shuai Zheng , Zhenfeng Zhu , Xingxing Zhang , Zhizhe Liu , Jian Cheng , Yao Zhao
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