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Graph neural networks (GNNs) have become the standard learning architectures for graphs. GNNs have been applied to numerous domains ranging from quantum chemistry, recommender systems to knowledge graphs and natural language processing. A…

Machine Learning · Computer Science 2022-02-11 Vijay Prakash Dwivedi , Anh Tuan Luu , Thomas Laurent , Yoshua Bengio , Xavier Bresson

Graph Neural Networks (GNNs) face fundamental limitations in expressivity and capturing structural heterogeneity. Standard message-passing architectures are constrained by the 1-dimensional Weisfeiler-Leman (1-WL) test, unable to…

Machine Learning · Computer Science 2026-05-19 Asela Hevapathige , Ahad N. Zehmakan , Asiri Wijesinghe , Saman Halgamuge

This paper studies unsupervised/self-supervised whole-graph representation learning, which is critical in many tasks such as molecule properties prediction in drug and material discovery. Existing methods mainly focus on preserving the…

Machine Learning · Computer Science 2021-06-09 Minghao Xu , Hang Wang , Bingbing Ni , Hongyu Guo , Jian Tang

Graphs serve as generic tools to encode the underlying relational structure of data. Often this graph is not given, and so the task of inferring it from nodal observations becomes important. Traditional approaches formulate a convex inverse…

Machine Learning · Computer Science 2024-06-24 Max Wasserman , Gonzalo Mateos

Recent years have witnessed great success in handling graph-related tasks with Graph Neural Networks (GNNs). However, most existing GNNs are based on message passing to perform feature aggregation and transformation, where the structural…

Machine Learning · Computer Science 2024-09-10 Lirong Wu , Haitao Lin , Guojiang Zhao , Cheng Tan , Stan Z. Li

Graph Structure Learning (GSL) focuses on capturing intrinsic dependencies and interactions among nodes in graph-structured data by generating novel graph structures. Graph Neural Networks (GNNs) have emerged as promising GSL solutions,…

Machine Learning · Computer Science 2025-03-11 Zirui Guo , Lianghao Xia , Yanhua Yu , Yuling Wang , Kangkang Lu , Zhiyong Huang , Chao Huang

Graph Neural Networks (GNNs) are widely used for graph representation learning in many application domains. The expressiveness of vanilla GNNs is upper-bounded by 1-dimensional Weisfeiler-Leman (1-WL) test as they operate on rooted subtrees…

Machine Learning · Computer Science 2024-01-10 Jiaxing Xu , Aihu Zhang , Qingtian Bian , Vijay Prakash Dwivedi , Yiping Ke

Graph Neural Networks (GNNs) have evolved to understand graph structures through recursive exchanges and aggregations among nodes. To enhance robustness, self-supervised learning (SSL) has become a vital tool for data augmentation.…

Computation and Language · Computer Science 2024-05-08 Jiabin Tang , Yuhao Yang , Wei Wei , Lei Shi , Lixin Su , Suqi Cheng , Dawei Yin , Chao Huang

This paper explores the applications and challenges of graph neural networks (GNNs) in processing complex graph data brought about by the rapid development of the Internet. Given the heterogeneity and redundancy problems that graph data…

Machine Learning · Computer Science 2024-10-24 Jianjun Wei , Yue Liu , Xin Huang , Xin Zhang , Wenyi Liu , Xu Yan

Hypergraphs, with their capacity to depict high-order relationships, have emerged as a significant extension of traditional graphs. Although Graph Neural Networks (GNNs) have remarkable performance in graph representation learning, their…

Machine Learning · Computer Science 2024-11-07 Khaled Mohammed Saifuddin , Mehmet Emin Aktas , Esra Akbas

We propose a novel approach for visual representation learning called Signature-Graph Neural Networks (SGN). SGN learns latent global structures that augment the feature representation of Convolutional Neural Networks (CNN). SGN constructs…

Computer Vision and Pattern Recognition · Computer Science 2021-10-25 Ali Hamdi , Flora Salim , Du Yong Kim , Xiaojun Chang

Graph neural networks (GNNs) have become the \textit{de facto} standard for representational learning in graphs, and have achieved state-of-the-art performance in many graph-related tasks; however, it has been shown that the expressive…

Machine Learning · Computer Science 2024-06-28 Tianjun Yao , Yiongxu Wang , Kun Zhang , Shangsong Liang

Graph classification aims to extract accurate information from graph-structured data for classification and is becoming more and more important in graph learning community. Although Graph Neural Networks (GNNs) have been successfully…

Machine Learning · Computer Science 2020-06-24 Ning Ma , Jiajun Bu , Jieyu Yang , Zhen Zhang , Chengwei Yao , Zhi Yu , Sheng Zhou , Xifeng Yan

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

Hypergraph, an expressive structure with flexibility to model the higher-order correlations among entities, has recently attracted increasing attention from various research domains. Despite the success of Graph Neural Networks (GNNs) for…

Machine Learning · Computer Science 2021-05-04 Jing Huang , Jie Yang

In representation learning on graph-structured data, many popular graph neural networks (GNNs) fail to capture long-range dependencies, leading to performance degradation. Furthermore, this weakness is magnified when the concerned graph is…

Machine Learning · Computer Science 2024-03-07 Mengying Jiang , Guizhong Liu , Yuanchao Su , Xinliang Wu

Recently, pretraining methods for the Graph Neural Networks (GNNs) have been successful at learning effective representations from unlabeled graph data. However, most of these methods rely on pairwise relations in the graph and do not…

Machine Learning · Computer Science 2023-11-21 Abdalgader Abubaker , Takanori Maehara , Madhav Nimishakavi , Vassilis Plachouras

Traditional Graph Neural Network (GNN), as a graph representation learning method, is constrained by label information. However, Graph Contrastive Learning (GCL) methods, which tackle the label problem effectively, mainly focus on the…

Machine Learning · Computer Science 2023-08-08 Kai Yang , Yuan Liu , Zijuan Zhao , Peijin Ding , Wenqian Zhao

Graph Convolutional Networks (GCNs) gained traction for graph representation learning, with recent attention on improving performance on heterophilic graphs for various real-world applications. The localized feature aggregation in a typical…

Machine Learning · Computer Science 2025-07-30 Garv Kaushik

Semi-supervised learning (SSL) over graph-structured data emerges in many network science applications. To efficiently manage learning over graphs, variants of graph neural networks (GNNs) have been developed recently. By succinctly…

Machine Learning · Computer Science 2021-10-22 Alireza Sadeghi , Meng Ma , Bingcong Li , Georgios B. Giannakis