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Deep convolutional neural networks (CNNs) have been shown to be able to fit a random labeling over data while still being able to generalize well for normal labels. Describing CNN capacity through a posteriori measures of complexity has…

Machine Learning · Computer Science 2020-03-10 Konstantinos Pitas , Andreas Loukas , Mike Davies , Pierre Vandergheynst

Graph Neural Networks (GNNs) have made significant advances on several fundamental inference tasks. As a result, there is a surge of interest in using these models for making potentially important decisions in high-regret applications.…

Machine Learning · Computer Science 2020-02-26 Kaidi Xu , Sijia Liu , Pin-Yu Chen , Mengshu Sun , Caiwen Ding , Bhavya Kailkhura , Xue Lin

Graph neural networks (GNNs) have attracted considerable attention from the research community. It is well established that GNNs are usually roughly divided into spatial and spectral methods. Despite that spectral GNNs play an important…

Machine Learning · Computer Science 2023-02-14 Deyu Bo , Xiao Wang , Yang Liu , Yuan Fang , Yawen Li , Chuan Shi

Graph neural networks (GNNs) can process graphs of different sizes, but their ability to generalize across sizes, specifically from small to large graphs, is still not well understood. In this paper, we identify an important type of data…

Machine Learning · Computer Science 2021-07-19 Gilad Yehudai , Ethan Fetaya , Eli Meirom , Gal Chechik , Haggai Maron

Whilst spectral Graph Neural Networks (GNNs) are theoretically well-founded in the spectral domain, their practical reliance on polynomial approximation implies a profound linkage to the spatial domain. As previous studies rarely examine…

Machine Learning · Computer Science 2024-09-17 Jingwei Guo , Kaizhu Huang , Xinping Yi , Zixian Su , Rui Zhang

Hypergraph neural networks have been promising tools for handling learning tasks involving higher-order data, with notable applications in web graphs, such as modeling multi-way hyperlink structures and complex user interactions. Yet, their…

Machine Learning · Computer Science 2025-01-28 Yifan Wang , Gonzalo R. Arce , Guangmo Tong

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

Graph Neural Networks (GNN) rely on graph convolutions to learn features from network data. GNNs are stable to different types of perturbations of the underlying graph, a property that they inherit from graph filters. In this paper we…

Machine Learning · Computer Science 2022-02-11 Juan Cervino , Luana Ruiz , Alejandro Ribeiro

Improving the generalization ability of Deep Neural Networks (DNNs) is critical for their practical uses, which has been a longstanding challenge. Some theoretical studies have uncovered that DNNs have preferences for some frequency…

Computer Vision and Pattern Recognition · Computer Science 2023-03-28 Shiqi Lin , Zhizheng Zhang , Zhipeng Huang , Yan Lu , Cuiling Lan , Peng Chu , Quanzeng You , Jiang Wang , Zicheng Liu , Amey Parulkar , Viraj Navkal , Zhibo Chen

In classic graph signal processing, given a real-valued graph signal, its graph Fourier transform is typically defined as the series of inner products between the signal and each eigenvector of the graph Laplacian. Unfortunately, this…

Machine Learning · Computer Science 2022-01-12 Fanchao Meng , Mark Orr , Samarth Swarup

Graph neural networks (GNNs) have received tremendous attention due to their power in learning effective representations for graphs. Most GNNs follow a message-passing scheme where the node representations are updated by aggregating and…

Machine Learning · Computer Science 2021-05-11 Wei Jin , Xiaorui Liu , Yao Ma , Tyler Derr , Charu Aggarwal , Jiliang Tang

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

Machine Learning · Computer Science 2021-10-07 Jie Zhou , Ganqu Cui , Shengding Hu , Zhengyan Zhang , Cheng Yang , Zhiyuan Liu , Lifeng Wang , Changcheng Li , Maosong Sun

Graphs are central to modeling complex systems in domains such as social networks, molecular chemistry, and neuroscience. While Graph Neural Networks, particularly Graph Convolutional Networks, have become standard tools for graph learning,…

Machine Learning · Computer Science 2025-11-03 Angelica Liguori , Ettore Ritacco , Pietro Sabatino , Annalisa Socievole

In this paper, we derive generalization bounds for the two primary classes of graph neural networks (GNNs), namely graph convolutional networks (GCNs) and message passing GNNs (MPGNNs), via a PAC-Bayesian approach. Our result reveals that…

Machine Learning · Computer Science 2020-12-15 Renjie Liao , Raquel Urtasun , Richard Zemel

This paper focuses on spectral graph convolutional neural networks (ConvNets), where filters are defined as elementwise multiplication in the frequency domain of a graph. In machine learning settings where the dataset consists of signals…

Machine Learning · Computer Science 2021-06-15 Ron Levie , Wei Huang , Lorenzo Bucci , Michael M. Bronstein , Gitta Kutyniok

This work focuses on training graph foundation models (GFMs) that have strong generalization ability in graph-level tasks such as graph classification. Effective GFM training requires capturing information consistent across different…

Machine Learning · Computer Science 2026-03-10 Ziheng Sun , Qi Feng , Lehao Lin , Chris Ding , Jicong Fan

This work provides a theoretical framework for assessing the generalization error of graph neural networks in the over-parameterized regime, where the number of parameters surpasses the quantity of data points. We explore two widely…

Machine Learning · Statistics 2024-07-02 Gholamali Aminian , Yixuan He , Gesine Reinert , Łukasz Szpruch , Samuel N. Cohen

Graph neural networks (GNNs) have emerged as powerful tools for processing relational data in applications. However, GNNs suffer from the problem of oversmoothing, the property that the features of all nodes exponentially converge to the…

Machine Learning · Statistics 2025-05-22 Bastian Epping , Alexandre René , Moritz Helias , Michael T. Schaub

Probabilistic graphical models provide a powerful tool to describe complex statistical structure, with many real-world applications in science and engineering from controlling robotic arms to understanding neuronal computations. A major…

Artificial Intelligence · Computer Science 2023-05-04 Yicheng Fei , Xaq Pitkow

Background: It is still an open research area to theoretically understand why Deep Neural Networks (DNNs)---equipped with many more parameters than training data and trained by (stochastic) gradient-based methods---often achieve remarkably…

Machine Learning · Computer Science 2018-11-30 Zhiqin John Xu