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We study gradient-based regularization methods for neural networks. We mainly focus on two regularization methods: the total variation and the Tikhonov regularization. Applying these methods is equivalent to using neural networks to solve…

Machine Learning · Computer Science 2022-11-09 Lingfeng Li , Xue-Cheng Tai , Jiang Yang

Graph convolutional networks (GCNs) have been employed as a kind of significant tool on many graph-based applications recently. Inspired by convolutional neural networks (CNNs), GCNs generate the embeddings of nodes by aggregating the…

Machine Learning · Computer Science 2020-11-20 Tao Huang , Yihan Zhang , Jiajing Wu , Junyuan Fang , Zibin Zheng

This paper studies the binary classification of unbounded data from ${\mathbb R}^d$ generated under Gaussian Mixture Models (GMMs) using deep ReLU neural networks. We obtain $\unicode{x2013}$ for the first time $\unicode{x2013}$…

Machine Learning · Statistics 2023-08-17 Tian-Yi Zhou , Xiaoming Huo

Graphs are crucial for representing interrelated data and aiding predictive modeling by capturing complex relationships. Achieving high-quality graph representation is important for identifying linked patterns, leading to improvements in…

Machine Learning · Computer Science 2024-07-23 Sumeyye Bas , Kiymet Kaya , Resul Tugay , Sule Gunduz Oguducu

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

In the last years, an increasing number of learning-based approaches have been proposed to tackle combinatorial optimization problems such as routing problems. Many of these approaches are based on graph neural networks (GNNs) or related…

Machine Learning · Computer Science 2025-09-30 Attila Lischka , Filip Rydin , Jiaming Wu , Morteza Haghir Chehreghani , Balázs Kulcsár

Graph Drawing techniques have been developed in the last few years with the purpose of producing aesthetically pleasing node-link layouts. Recently, the employment of differentiable loss functions has paved the road to the massive usage of…

Machine Learning · Computer Science 2022-07-04 Matteo Tiezzi , Gabriele Ciravegna , Marco Gori

Graph Augmentation Learning (GAL) provides outstanding solutions for graph learning in handling incomplete data, noise data, etc. Numerous GAL methods have been proposed for graph-based applications such as social network analysis and…

Machine Learning · Computer Science 2022-03-18 Shuo Yu , Huafei Huang , Minh N. Dao , Feng Xia

This work analyzes Graph Neural Networks, a generalization of Fully-Connected Deep Neural Nets on Graph structured data, when their width, that is the number of nodes in each fullyconnected layer is increasing to infinity. Infinite Width…

Machine Learning · Computer Science 2023-11-21 Yunus Cobanoglu

Despite the omnipresence of tensors and tensor operations in modern deep learning, the use of tensor mathematics to formally design and describe neural networks is still under-explored within the deep learning community. To this end, we…

Machine Learning · Computer Science 2023-03-27 Yao Lei Xu , Kriton Konstantinidis , Danilo P. Mandic

Graph Neural Networks (GNNs) have achieved impressive performance in graph-related tasks. However, they suffer from poor generalization on out-of-distribution (OOD) data, as they tend to learn spurious correlations. Such correlations…

Machine Learning · Statistics 2026-03-26 Bowen Lu , Liangqiang Yang , Teng Li

Graph neural networks (GNNs) have been extensively studied for prediction tasks on graphs. As pointed out by recent studies, most GNNs assume local homophily, i.e., strong similarities in local neighborhoods. This assumption however limits…

Machine Learning · Computer Science 2021-10-04 Sean Li , Dongwoo Kim , Qing Wang

Numerous approaches have been explored for graph clustering, including those which optimize a global criteria such as modularity. More recently, Graph Neural Networks (GNNs), which have produced state-of-the-art results in graph analysis…

Social and Information Networks · Computer Science 2023-08-21 Co Tran , Mo Badawy , Tyler McDonnell

This work develops \emph{mixup for graph data}. Mixup has shown superiority in improving the generalization and robustness of neural networks by interpolating features and labels between two random samples. Traditionally, Mixup can work on…

Machine Learning · Computer Science 2022-02-17 Xiaotian Han , Zhimeng Jiang , Ninghao Liu , Xia Hu

The expressive power of graph neural networks (GNNs) is typically understood through their correspondence with graph isomorphism tests such as the Weisfeiler-Leman (WL) hierarchy. While more expressive GNNs can distinguish a richer set of…

Graph Neural Networks (GNNs) face two fundamental challenges when scaled to deep architectures: oversmoothing, where node representations converge to indistinguishable vectors, and oversquashing, where information from distant nodes fails…

Machine Learning · Computer Science 2026-03-30 Mostafa Haghir Chehreghani

Graph Neural Networks (GNNs) are limited in their propagation operators. In many cases, these operators often contain non-negative elements only and are shared across channels, limiting the expressiveness of GNNs. Moreover, some GNNs suffer…

Machine Learning · Computer Science 2023-05-08 Moshe Eliasof , Lars Ruthotto , Eran Treister

We study the task of learning Generalized Linear models (GLMs) in the agnostic model under the Gaussian distribution. We give the first polynomial-time algorithm that achieves a constant-factor approximation for \textit{any} monotone…

Machine Learning · Computer Science 2025-08-05 Nikos Zarifis , Puqian Wang , Ilias Diakonikolas , Jelena Diakonikolas

Out-of-distribution (OOD) generalization has gained increasing attentions for learning on graphs, as graph neural networks (GNNs) often exhibit performance degradation with distribution shifts. The challenge is that distribution shifts on…

Machine Learning · Computer Science 2024-08-19 Qitian Wu , Fan Nie , Chenxiao Yang , Tianyi Bao , Junchi Yan

We consider an online decision-making problem with a reward function defined over graph-structured data. We formally formulate the problem as an instance of graph action bandit. We then propose \texttt{GNN-TS}, a Graph Neural Network (GNN)…

Machine Learning · Computer Science 2024-06-24 Shuang Wu , Arash A. Amini