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Graph neural networks (GNNs) are often trained on individual datasets, requiring specialized models and significant hyperparameter tuning due to the unique structures and features of each dataset. This approach limits the scalability and…

Machine Learning · Computer Science 2026-02-17 Divyansha Lachi , Mehdi Azabou , Vinam Arora , Eva Dyer

Graph neural networks (GNNs) have achieved remarkable success in a variety of machine learning tasks over graph data. Existing GNNs usually rely on message passing, i.e., computing node representations by gathering information from the…

Machine Learning · Computer Science 2024-10-15 Junru Zhou , Cai Zhou , Xiyuan Wang , Pan Li , Muhan Zhang

The pretrain-transfer paradigm, which underpins the success of large language models (LLMs), has demonstrated the immense power of creating foundation models that learn generalizable representations from vast datasets. However, extending…

Machine Learning · Computer Science 2025-09-30 Yunhao Liang , Pujun Zhang , Yuan Qu , Shaochong Lin , Zuo-jun Max Shen

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…

Machine Learning · Computer Science 2025-05-30 Jingzhe Liu , Haitao Mao , Zhikai Chen , Bingheng Li , Wenqi Fan , Mingxuan Ju , Tong Zhao , Neil Shah , Jiliang Tang

End-to-end training of graph neural networks (GNN) on large graphs presents several memory and computational challenges, and limits the application to shallow architectures as depth exponentially increases the memory and space complexities.…

Machine Learning · Computer Science 2023-09-06 Oscar Pina , Verónica Vilaplana

Graph pre-training strategies have been attracting a surge of attention in the graph mining community, due to their flexibility in parameterizing graph neural networks (GNNs) without any label information. The key idea lies in encoding…

Machine Learning · Computer Science 2022-08-23 Dawei Zhou , Lecheng Zheng , Dongqi Fu , Jiawei Han , Jingrui He

Graph Neural Networks (GNNs) are powerful deep learning methods for Non-Euclidean data. Popular GNNs are message-passing algorithms (MPNNs) that aggregate and combine signals in a local graph neighborhood. However, shallow MPNNs tend to…

Machine Learning · Statistics 2022-11-08 Ningyuan Huang , Soledad Villar , Carey E. Priebe , Da Zheng , Chengyue Huang , Lin Yang , Vladimir Braverman

Many machine learning techniques have been proposed in the last few years to process data represented in graph-structured form. Graphs can be used to model several scenarios, from molecules and materials to RNA secondary structures. Several…

Machine Learning · Computer Science 2018-11-19 Nicolò Navarin , Dinh V. Tran , Alessandro Sperduti

Graph neural networks (GNNs) have been applied into a variety of graph tasks. Most existing work of GNNs is based on the assumption that the given graph data is optimal, while it is inevitable that there exists missing or incomplete edges…

Machine Learning · Computer Science 2022-05-13 Qianggang Ding , Deheng Ye , Tingyang Xu , Peilin Zhao

Graphs have become an important modeling tool for web applications, and Graph Neural Networks (GNNs) have achieved great success in graph representation learning. However, the performance of traditional GNNs heavily relies on a large amount…

Machine Learning · Computer Science 2024-06-05 Chenghua Gong , Xiang Li , Jianxiang Yu , Cheng Yao , Jiaqi Tan , Chengcheng Yu

Recently, graph convolutional network (GCN) has been widely used for semi-supervised classification and deep feature representation on graph-structured data. However, existing GCN generally fails to consider the local invariance constraint…

Computer Vision and Pattern Recognition · Computer Science 2018-09-27 Bo Jiang , Doudou Lin

Spectral Graph Neural Networks (SGNNs) have achieved remarkable performance in tasks such as node classification due to their ability to learn flexible filters. Typically, these filters are learned under the supervision of downstream tasks,…

Machine Learning · Computer Science 2025-08-06 Kangkang Lu , Yanhua Yu , Zhiyong Huang , Tat-Seng Chua

Large Language Models (LLMs) have demonstrated strong capabilities in various natural language processing tasks; however, their application to graph-related problems remains limited, primarily due to scalability constraints and the absence…

Machine Learning · Computer Science 2025-05-08 Hyun Lee , Chris Yi , Maminur Islam , B. D. S. Aritra

Convolutional neural networks (CNNs) have achieved great success on grid-like data such as images, but face tremendous challenges in learning from more generic data such as graphs. In CNNs, the trainable local filters enable the automatic…

Machine Learning · Computer Science 2018-09-05 Hongyang Gao , Zhengyang Wang , Shuiwang Ji

Text-rich graphs, which exhibit rich textual information on nodes and edges, are prevalent across a wide range of real-world business applications. Large Language Models (LLMs) have demonstrated remarkable abilities in understanding text,…

Computation and Language · Computer Science 2024-04-30 Qi Zhu , Da Zheng , Xiang Song , Shichang Zhang , Bowen Jin , Yizhou Sun , George Karypis

A graph convolutional network (GCN) employs a graph filtering kernel tailored for data with irregular structures. However, simply stacking more GCN layers does not improve performance; instead, the output converges to an uninformative…

Machine Learning · Computer Science 2022-11-04 Jin Zeng , Yang Liu , Gene Cheung , Wei Hu

Graph neural networks (GNNs) have shown state-of-the-art performances in various applications. However, GNNs often struggle to capture long-range dependencies in graphs due to oversmoothing. In this paper, we generalize the concept of…

Machine Learning · Computer Science 2023-11-01 Sohir Maskey , Raffaele Paolino , Aras Bacho , Gitta Kutyniok

In recent years, pre-trained graph neural networks (GNNs) have been developed as general models which can be effectively fine-tuned for various potential downstream tasks in materials science, and have shown significant improvements in…

Materials Science · Physics 2025-03-04 Shuyi Jia , Shitij Govil , Manav Ramprasad , Victor Fung

Graph neural networks (GNNs) have been demonstrated to be powerful in modeling graph-structured data. However, training GNNs usually requires abundant task-specific labeled data, which is often arduously expensive to obtain. One effective…

Machine Learning · Computer Science 2020-06-30 Ziniu Hu , Yuxiao Dong , Kuansan Wang , Kai-Wei Chang , Yizhou Sun

Graph Neural Networks (GNNs) play a pivotal role in graph-based tasks for their proficiency in representation learning. Among the various GNN methods, spectral GNNs employing polynomial filters have shown promising performance on tasks…

Machine Learning · Computer Science 2025-01-09 Haipeng Ding , Zhewei Wei , Yuhang Ye