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Graph neural networks (GNNs) have shown great prowess in learning representations suitable for numerous graph-based machine learning tasks. When applied to semi-supervised node classification, GNNs are widely believed to work well due to…

Machine Learning · Computer Science 2023-07-24 Yao Ma , Xiaorui Liu , Neil Shah , Jiliang Tang

Graph Neural Networks (GNNs) often assume strong homophily for graph classification, seldom considering heterophily, which means connected nodes tend to have different class labels and dissimilar features. In real-world scenarios, graphs…

Machine Learning · Computer Science 2024-05-10 Jiayi Yang , Sourav Medya , Wei Ye

Graph Neural Networks (GNNs) excel at analyzing graph-structured data but struggle on heterophilic graphs, where connected nodes often belong to different classes. While this challenge is commonly addressed with specialized GNN…

Machine Learning · Computer Science 2025-05-20 Harel Mendelman , Haggai Maron , Ronen Talmon

Graph Neural Networks (GNNs) have been broadly applied in many urban applications upon formulating a city as an urban graph whose nodes are urban objects like regions or points of interest. Recently, a few enhanced GNN architectures have…

Machine Learning · Computer Science 2023-06-22 Congxi Xiao , Jingbo Zhou , Jizhou Huang , Tong Xu , Hui Xiong

Graph neural networks (GNNs) are widely used as surrogates for costly experiments and first-principles simulations to study the behavior of compounds at atomistic scale, and their architectural complexity is constantly increasing to enable…

Machine Learning · Computer Science 2026-05-04 Arindam Chowdhury , Massimiliano Lupo Pasini

Graph Neural Networks (GNNs) exhibit excellent performance when graphs have strong homophily property, i.e. connected nodes have the same labels. However, they perform poorly on heterophilic graphs. Several approaches address the issue of…

Machine Learning · Computer Science 2021-07-29 Vijay Lingam , Rahul Ragesh , Arun Iyer , Sundararajan Sellamanickam

Graph neural networks (GNNs) have brought revolutionary advancements to the field of link prediction (LP), providing powerful tools for mining potential relationships in graphs. However, existing methods face challenges when dealing with…

Machine Learning · Computer Science 2025-12-30 Huashen Lu , Wensheng Gan , Guoting Chen , Zhichao Huang , Philip S. Yu

Graph neural networks are powerful architectures for structured datasets. However, current methods struggle to represent long-range dependencies. Scaling the depth or width of GNNs is insufficient to broaden receptive fields as larger GNNs…

Machine Learning · Computer Science 2022-01-24 Zhanghao Wu , Paras Jain , Matthew A. Wright , Azalia Mirhoseini , Joseph E. Gonzalez , Ion Stoica

We propose a generalization of transformer neural network architecture for arbitrary graphs. The original transformer was designed for Natural Language Processing (NLP), which operates on fully connected graphs representing all connections…

Machine Learning · Computer Science 2021-01-26 Vijay Prakash Dwivedi , Xavier Bresson

Graph Neural Networks (GNNs) have emerged as the de facto standard for modeling graph data, with attention mechanisms and transformers significantly enhancing their performance on graph-based tasks. Despite these advancements, the…

Machine Learning · Computer Science 2025-04-07 Nikhil Shivakumar Nayak

Graph neural networks have been extensively studied for learning with inter-connected data. Despite this, recent evidence has revealed GNNs' deficiencies related to over-squashing, heterophily, handling long-range dependencies, edge…

Machine Learning · Computer Science 2023-06-16 Qitian Wu , Wentao Zhao , Zenan Li , David Wipf , Junchi Yan

Graph neural networks (GNNs) have demonstrated excellent performance in semi-supervised node classification tasks. Despite this, two primary challenges persist: heterogeneity and heterophily. Each of these two challenges can significantly…

Machine Learning · Computer Science 2025-04-14 Kangkang Lu , Yanhua Yu , Zhiyong Huang , Yunshan Ma , Xiao Wang , Meiyu Liang , Yuling Wang , Yimeng Ren , Tat-Seng Chua

Graph Convolutional Networks (GCNs) have been widely applied in various fields due to their significant power on processing graph-structured data. Typical GCN and its variants work under a homophily assumption (i.e., nodes with same class…

Machine Learning · Computer Science 2021-12-28 Tao Wang , Rui Wang , Di Jin , Dongxiao He , Yuxiao Huang

The dominant paradigm for machine learning on graphs uses Message Passing Graph Neural Networks (MP-GNNs), in which node representations are updated by aggregating information in their local neighborhood. Recently, there have been…

Machine Learning · Computer Science 2023-03-02 Daniel Glickman , Eran Yahav

We propose AGS-GNN, a novel attribute-guided sampling algorithm for Graph Neural Networks (GNNs) that exploits node features and connectivity structure of a graph while simultaneously adapting for both homophily and heterophily in graphs.…

Machine Learning · Computer Science 2024-05-27 Siddhartha Shankar Das , S M Ferdous , Mahantesh M Halappanavar , Edoardo Serra , Alex Pothen

Graph Attention Network (GAT) is one of the most popular Graph Neural Network (GNN) architecture, which employs the attention mechanism to learn edge weights and has demonstrated promising performance in various applications. However, since…

Machine Learning · Computer Science 2024-03-05 Qincheng Lu , Jiaqi Zhu , Sitao Luan , Xiao-Wen Chang

By incorporating the graph structural information into Transformers, graph Transformers have exhibited promising performance for graph representation learning in recent years. Existing graph Transformers leverage specific strategies, such…

Machine Learning · Computer Science 2022-11-16 Gaichao Li , Jinsong Chen , Kun He

Graph fraud detection (GFD) is crucial for identifying fraudulent behavior within graphs, benefiting various domains such as financial networks and social media. Existing methods based on graph neural networks (GNNs) have succeeded…

Machine Learning · Computer Science 2026-03-04 Jiaqi Lv , Qingfeng Du , Yu Zhang , Yongqi Han , Sheng Li

Graph Neural Networks (GNNs) have led to state-of-the-art performance on a variety of machine learning tasks such as recommendation, node classification and link prediction. Graph neural network models generate node embeddings by merging…

Machine Learning · Computer Science 2020-11-04 Yunpeng Weng , Xu Chen , Liang Chen , Wei Liu

Graph Neural Networks (GNNs) set the state-of-the-art in representation learning for graph-structured data. They are used in many domains, from online social networks to complex molecules. Most GNNs leverage the message-passing paradigm and…

Machine Learning · Computer Science 2025-03-06 Tuğrul Hasan Karabulut , İnci M. Baytaş