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Graph neural networks (GNNs) have emerged as a fundamental tool for learning from graph-structured data, achieving strong performance across a wide range of applications. However, understanding their generalization capabilities remains…

机器学习 · 计算机科学 2026-05-14 Peiyao Wang , Liang Bai , Xian Yang , Richard Yi Da Xu , Jiye Liang

Graph learning tasks often hinge on identifying key substructure patterns -- such as triadic closures in social networks or benzene rings in molecular graphs -- that underpin downstream performance. However, most existing graph neural…

机器学习 · 计算机科学 2025-05-27 Zehong Wang , Zheyuan Zhang , Tianyi Ma , Nitesh V Chawla , Chuxu Zhang , Yanfang Ye

Despite the celebrated popularity of Graph Neural Networks (GNNs) across numerous applications, the ability of GNNs to generalize remains less explored. In this work, we propose to study the generalization of GNNs through a novel…

机器学习 · 计算机科学 2024-04-17 Shouheng Li , Dongwoo Kim , Qing Wang

Graph neural networks (GNNs) have recently emerged as a promising learning paradigm in learning graph-structured data and have demonstrated wide success across various domains such as recommendation systems, social networks, and electronic…

机器学习 · 计算机科学 2023-04-25 Ruixuan Wang , Fred Lin , Daniel Moore , Sriram Sankar , Xun Jiao

Graph Neural Networks (GNNs) have demonstrated remarkable success in various applications, yet they often struggle to capture long-range dependencies (LRD) effectively. This paper introduces GraphMinNet, a novel GNN architecture that…

机器学习 · 计算机科学 2025-02-04 Md Atik Ahamed , Andrew Cheng , Qiang Ye , Qiang Cheng

Graph Neural Networks (GNNs) have been proposed as a tool for learning sparse matrix preconditioners, which are key components in accelerating linear solvers. We present theoretical and empirical evidence that message-passing GNNs are…

机器学习 · 计算机科学 2026-05-26 Vladislav Trifonov , Ekaterina Muravleva , Ivan Oseledets

Graph neural networks (GNNs) are an emerging model for learning graph embeddings and making predictions on graph structured data. However, robustness of graph neural networks is not yet well-understood. In this work, we focus on node…

机器学习 · 计算机科学 2019-12-24 James Fox , Sivasankaran Rajamanickam

The existing research on robust Graph Neural Networks (GNNs) fails to acknowledge the significance of directed graphs in providing rich information about networks' inherent structure. This work presents the first investigation into the…

机器学习 · 计算机科学 2023-06-06 Zhichao Hou , Xitong Zhang , Wei Wang , Charu C. Aggarwal , Xiaorui Liu

The growing complexity of wireless systems has accelerated the move from traditional methods to learning-based solutions. Graph Neural Networks (GNNs) are especially well-suited here, since wireless networks can be naturally represented as…

信号处理 · 电气工程与系统科学 2025-10-02 Romina Garcia Camargo , Zhiyang Wang , Alejandro Ribeiro

Deep learning-based approaches have been developed to solve challenging problems in wireless communications, leading to promising results. Early attempts adopted neural network architectures inherited from applications such as computer…

信息论 · 计算机科学 2022-11-07 Yifei Shen , Jun Zhang , S. H. Song , Khaled B. Letaief

Foundation models, such as Large Language Models (LLMs) or Large Vision Models (LVMs), have emerged as one of the most powerful tools in the respective fields. However, unlike text and image data, graph data do not have a definitive…

机器学习 · 计算机科学 2025-04-28 Lecheng Kong , Jiarui Feng , Hao Liu , Chengsong Huang , Jiaxin Huang , Yixin Chen , Muhan Zhang

Graph neural networks (GNNs) are the most widely adopted model in graph-structured data oriented learning and representation. Despite their extraordinary success in real-world applications, understanding their working mechanism by theory is…

机器学习 · 计算机科学 2023-05-16 Huayi Tang , Yong Liu

Graph Neural Networks (GNNs) have shown remarkable performance in structured data modeling tasks such as node classification. However, mainstream approaches generally rely on a large number of trainable parameters and fixed aggregation…

机器学习 · 计算机科学 2026-02-17 Mingyue Kong , Yinglong Zhang , Chengda Xu , Xuewen Xia , Xing Xu

Graph Neural Networks (GNNs) are powerful tools for learning from graph-structured data, but their scalability is increasingly strained by the size of real-world graphs in domains like recommender systems, fraud detection, and molecular…

机器学习 · 计算机科学 2026-05-22 Mridul Gupta , Samyak Jain , Vansh Ramani , Hariprasad Kodamana , Sayan Ranu

Graph neural networks (GNNs) are the predominant architecture for learning over graphs. As with any machine learning model, an important issue is the detection of attacks, where an adversary can change the output with a small perturbation…

机器学习 · 计算机科学 2026-03-10 Chia-Hsuan Lu , Tony Tan , Michael Benedikt

Graph neural networks (GNNs) have emerged as a powerful tool for effectively mining and learning from graph-structured data, with applications spanning numerous domains. However, most research focuses on static graphs, neglecting the…

机器学习 · 计算机科学 2024-04-30 Yanping Zheng , Lu Yi , Zhewei Wei

Graph Transformers (GTs) have demonstrated a strong capability in modeling graph structures by addressing the intrinsic limitations of graph neural networks (GNNs), such as over-smoothing and over-squashing. Recent studies have proposed…

Graph Neural Networks (GNNs) have emerged as a powerful tool to capture intricate network patterns, achieving success across different domains. However, existing GNNs require careful domain-specific architecture designs and training from…

机器学习 · 计算机科学 2025-05-30 Jingzhe Liu , Haitao Mao , Zhikai Chen , Bingheng Li , Wenqi Fan , Mingxuan Ju , Tong Zhao , Neil Shah , Jiliang Tang

Recent studies on Graph Neural Networks(GNNs) provide both empirical and theoretical evidence supporting their effectiveness in capturing structural patterns on both homophilic and certain heterophilic graphs. Notably, most real-world…

机器学习 · 计算机科学 2023-10-17 Haitao Mao , Zhikai Chen , Wei Jin , Haoyu Han , Yao Ma , Tong Zhao , Neil Shah , Jiliang Tang

Nowadays the development of new functional materials/chemical compounds using machine learning (ML) techniques is a hot topic and includes several crucial steps, one of which is the choice of chemical structure representation. Classical…

计算物理 · 物理学 2020-06-11 Vadim Korolev , Artem Mitrofanov , Alexandru Korotcov , Valery Tkachenko