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Learning to optimize is a rapidly growing area that aims to solve optimization problems or improve existing optimization algorithms using machine learning (ML). In particular, the graph neural network (GNN) is considered a suitable ML model…

Machine Learning · Computer Science 2023-05-29 Ziang Chen , Jialin Liu , Xinshang Wang , Jianfeng Lu , Wotao Yin

In recent years, there has been a significant amount of research focused on expanding the expressivity of Graph Neural Networks (GNNs) beyond the Weisfeiler-Lehman (1-WL) framework. While many of these studies have yielded advancements in…

Machine Learning · Computer Science 2024-03-12 Shouheng Li , Dongwoo Kim , Qing Wang

Graph neural networks (GNNs) can effectively model structural information of graphs, making them widely used in knowledge graph (KG) reasoning. However, existing studies on the expressive power of GNNs mainly focuses on simple…

Artificial Intelligence · Computer Science 2026-02-02 Han Yu , Xiaojuan Zhao , Aiping Li , Kai Chen , Ziniu Liu , Zhichao Peng

Graph Neural Networks (GNNs) are a large class of relational models for graph processing. Recent theoretical studies on the expressive power of GNNs have focused on two issues. On the one hand, it has been proven that GNNs are as powerful…

Training a Convolutional Neural Network (CNN) to be robust against rotation has mostly been done with data augmentation. In this paper, another progressive vision of research direction is highlighted to encourage less dependence on data…

Computer Vision and Pattern Recognition · Computer Science 2021-10-22 Sungwon Hwang , Hyungtae Lim , Hyun Myung

Graph neural networks (GNNs), consisting of a cascade of layers applying a graph convolution followed by a pointwise nonlinearity, have become a powerful architecture to process signals supported on graphs. Graph convolutions (and thus,…

Machine Learning · Computer Science 2019-10-23 Fernando Gama , Joan Bruna , Alejandro Ribeiro

Recent years have witnessed fast developments of graph neural networks (GNNs) that have benefited myriad graph analytic tasks and applications. Most GNNs rely on the homophily assumption that nodes belonging to the same class are more…

Machine Learning · Computer Science 2026-04-21 Xin Zheng , Yi Wang , Yixin Liu , Ming Li , Miao Zhang , Di Jin , Philip S. Yu , Shirui Pan

Graph Neural Networks (GNNs) have emerged as prominent models for representation learning on graph structured data. GNNs follow an approach of message passing analogous to 1-dimensional Weisfeiler Lehman (1-WL) test for graph isomorphism…

Machine Learning · Computer Science 2022-03-18 Mohammed Haroon Dupty , Wee Sun Lee

While graph heterophily has been extensively studied in recent years, a fundamental research question largely remains nascent: How and to what extent will graph heterophily affect the prediction performance of graph neural networks (GNNs)?…

Machine Learning · Computer Science 2023-06-27 Shuaicheng Zhang , Haohui Wang , Si Zhang , Dawei Zhou

Graphical models capture relations between entities in a wide range of applications including social networks, biology, and natural language processing, among others. Graph neural networks (GNN) are neural models that operate over graphs,…

Machine Learning · Computer Science 2024-02-08 Xu Zheng , Farhad Shirani , Tianchun Wang , Shouwei Gao , Wenqian Dong , Wei Cheng , Dongsheng Luo

Graph Neural Networks have become the preferred tool to process graph data, with their efficacy being boosted through graph data augmentation techniques. Despite the evolution of augmentation methods, issues like graph property distortions…

Machine Learning · Computer Science 2025-01-30 Yutong Xia , Runpeng Yu , Yuxuan Liang , Xavier Bresson , Xinchao Wang , Roger Zimmermann

Graph Neural Networks (GNNs) excel in handling graph-structured data but often underperform in link prediction tasks compared to classical methods, mainly due to the limitations of the commonly used message-passing principle. Notably, their…

Machine Learning · Computer Science 2025-02-18 Niloofar Azizi , Nils Kriege , Horst Bischof

Message-passing neural networks (MPNNs) are the leading architecture for deep learning on graph-structured data, in large part due to their simplicity and scalability. Unfortunately, it was shown that these architectures are limited in…

In representation learning on the graph-structured data, under heterophily (or low homophily), many popular GNNs may fail to capture long-range dependencies, which leads to their performance degradation. To solve the above-mentioned issue,…

Machine Learning · Computer Science 2021-06-29 Mengying Jiang , Guizhong Liu , Yuanchao Su , Xinliang Wu

Many improvements on GNNs can be deemed as operations on the spectrum of the underlying graph matrix, which motivates us to directly study the characteristics of the spectrum and their effects on GNN performance. By generalizing most…

Machine Learning · Computer Science 2022-06-22 Mingqi Yang , Yanming Shen , Rui Li , Heng Qi , Qiang Zhang , Baocai Yin

Many natural and social systems develop complex networks, that are usually modelled as random graphs. The eigenvalue spectrum of these graphs provides information about their structural properties. While the semi-circle law is known to…

Statistical Mechanics · Physics 2009-11-07 Illes J. Farkas , Imre Derenyi , Albert-Laszlo Barabasi , Tamas Vicsek

We introduce SignNet and BasisNet -- new neural architectures that are invariant to two key symmetries displayed by eigenvectors: (i) sign flips, since if $v$ is an eigenvector then so is $-v$; and (ii) more general basis symmetries, which…

Machine Learning · Computer Science 2022-10-04 Derek Lim , Joshua Robinson , Lingxiao Zhao , Tess Smidt , Suvrit Sra , Haggai Maron , Stefanie Jegelka

Neural networks that process the parameters of other neural networks find applications in domains as diverse as classifying implicit neural representations, generating neural network weights, and predicting generalization errors. However,…

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 convolutional networks (GCNs) and its variants are designed for unsigned graphs containing only positive links. Many existing GCNs have been derived from the spectral domain analysis of signals lying over (unsigned) graphs and in each…

Machine Learning · Computer Science 2022-08-16 Rahul Singh , Yongxin Chen