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We investigate the enhancement of graph neural networks' (GNNs) representation power through their ability in substructure counting. Recent advances have seen the adoption of subgraph GNNs, which partition an input graph into numerous…

Machine Learning · Computer Science 2024-06-14 Zuoyu Yan , Junru Zhou , Liangcai Gao , Zhi Tang , Muhan Zhang

Contrastive learning has emerged as a premier method for learning representations with or without supervision. Recent studies have shown its utility in graph representation learning for pre-training. Despite successes, the understanding of…

Machine Learning · Computer Science 2023-02-07 Amur Ghose , Yingxue Zhang , Jianye Hao , Mark Coates

Graph Neural Networks (GNNs) have shown success in learning from graph structured data containing node/edge feature information, with application to social networks, recommendation, fraud detection and knowledge graph reasoning. In this…

Machine Learning · Computer Science 2021-11-24 Xiang Song , Runjie Ma , Jiahang Li , Muhan Zhang , David Paul Wipf

In this paper, we introduce a self-supervised learning method to enhance the graph-level representations with the help of a set of subgraphs. For this purpose, we propose a universal framework to generate subgraphs in an auto-regressive way…

Machine Learning · Computer Science 2021-05-10 Chenguang Wang , Ziwen Liu

Graph-based neural network models are gaining traction in the field of representation learning due to their ability to uncover latent topological relationships between entities that are otherwise challenging to identify. These models have…

Image and Video Processing · Electrical Eng. & Systems 2023-07-25 Aryan Singh , Pepijn Van de Ven , Ciarán Eising , Patrick Denny

This paper studies four Graph Neural Network architectures (GNNs) for a graph classification task on a synthetic dataset created using classic generative models of Network Science. Since the synthetic networks do not contain (node or edge)…

Social and Information Networks · Computer Science 2024-01-12 Walid Guettala , László Gulyás

Graph Neural Network (GNN) is an emerging technique for graph-based learning tasks such as node classification. In this work, we reveal the vulnerability of GNN to the imbalance of node labels. Traditional solutions for imbalanced…

Machine Learning · Computer Science 2022-02-08 Xiaohe Li , Lijie Wen , Yawen Deng , Fuli Feng , Xuming Hu , Lei Wang , Zide Fan

Graph anomaly detection (GAD) is a vital task in graph-based machine learning and has been widely applied in many real-world applications. The primary goal of GAD is to capture anomalous nodes from graph datasets, which evidently deviate…

Machine Learning · Computer Science 2022-12-05 Jingcan Duan , Siwei Wang , Pei Zhang , En Zhu , Jingtao Hu , Hu Jin , Yue Liu , Zhibin Dong

Graph contrastive learning (GCL), as an emerging self-supervised learning technique on graphs, aims to learn representations via instance discrimination. Its performance heavily relies on graph augmentation to reflect invariant patterns…

Machine Learning · Computer Science 2023-06-22 Lu Lin , Jinghui Chen , Hongning Wang

As one of the most fundamental tasks in graph theory, subgraph matching is a crucial task in many fields, ranging from information retrieval, computer vision, biology, chemistry and natural language processing. Yet subgraph matching problem…

Machine Learning · Computer Science 2022-09-19 Zixun Lan , Limin Yu , Linglong Yuan , Zili Wu , Qiang Niu , Fei Ma

Graph classification has gained significant attention due to its applications in chemistry, social networks, and bioinformatics. While Graph Neural Networks (GNNs) effectively capture local structural patterns, they often overlook global…

Machine Learning · Computer Science 2025-12-03 Ahmet Sami Korkmaz , Selim Coskunuzer , Md Joshem Uddin

Modern machine learning techniques are successfully being adapted to data modeled as graphs. However, many real-world graphs are typically very large and do not fit in memory, often making the problem of training machine learning models on…

Machine Learning · Computer Science 2020-12-10 Alexandra Angerd , Keshav Balasubramanian , Murali Annavaram

Deep artificial neural networks require a large corpus of training data in order to effectively learn, where collection of such training data is often expensive and laborious. Data augmentation overcomes this issue by artificially inflating…

Machine Learning · Computer Science 2017-08-22 Luke Taylor , Geoff Nitschke

In this paper, we provide a theory of using graph neural networks (GNNs) for multi-node representation learning (where we are interested in learning a representation for a set of more than one node, such as link). We know that GNN is…

Machine Learning · Computer Science 2022-01-19 Muhan Zhang , Pan Li , Yinglong Xia , Kai Wang , Long Jin

Link prediction and node classification are two important downstream tasks of network representation learning. Existing methods have achieved acceptable results but they perform these two tasks separately, which requires a lot of…

Social and Information Networks · Computer Science 2021-03-04 Hong Huang , Yu Song , Yao Wu , Jia Shi , Xia Xie , Hai Jin

Subgraph GNNs enhance message-passing GNNs expressivity by representing graphs as sets of subgraphs, demonstrating impressive performance across various tasks. However, their scalability is hindered by the need to process large numbers of…

Machine Learning · Computer Science 2025-06-02 Guy Bar-Shalom , Yam Eitan , Fabrizio Frasca , Haggai Maron

Graph Neural Networks (GNNs) have been widely employed for feature representation learning in molecular graphs. Therefore, it is crucial to enhance the expressiveness of feature representation to ensure the effectiveness of GNNs. However, a…

Machine Learning · Computer Science 2024-09-16 Chengyu Yao , Hong Huang , Hang Gao , Fengge Wu , Haiming Chen , Junsuo Zhao

Accurate prediction of molecular properties is essential in drug discovery and related fields. However, existing graph neural networks (GNNs) often struggle to simultaneously capture both local and global molecular structures. In this work,…

Machine Learning · Computer Science 2025-08-26 XiaYu Liu , Chao Fan , Yang Liu , Hou-biao Li

Subgraph representation learning has emerged as an important problem, but it is by default approached with specialized graph neural networks on a large global graph. These models demand extensive memory and computational resources but…

Machine Learning · Computer Science 2024-05-24 Dongkwan Kim , Alice Oh

Graph Neural Networks (GNNs) have been widely applied to various fields due to their powerful representations of graph-structured data. Despite the success of GNNs, most existing GNNs are designed to learn node representations on the fixed…

Machine Learning · Computer Science 2021-06-14 Seongjun Yun , Minbyul Jeong , Sungdong Yoo , Seunghun Lee , Sean S. Yi , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim