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Graph Neural Network (GNN) research is rapidly growing thanks to the capacity of GNNs in learning distributed representations from graph-structured data. However, centralizing a massive amount of real-world graph data for GNN training is…

Deep learning's success has been widely recognized in a variety of machine learning tasks, including image classification, audio recognition, and natural language processing. As an extension of deep learning beyond these domains, graph…

Machine Learning · Computer Science 2021-07-22 Zhiqian Chen , Fanglan Chen , Lei Zhang , Taoran Ji , Kaiqun Fu , Liang Zhao , Feng Chen , Lingfei Wu , Charu Aggarwal , Chang-Tien Lu

Graph neural networks (GNNs) are emerging for machine learning research on graph-structured data. GNNs achieve state-of-the-art performance on many tasks, but they face scalability challenges when it comes to real-world applications that…

Machine Learning · Computer Science 2026-04-02 Shichang Zhang , Atefeh Sohrabizadeh , Cheng Wan , Zijie Huang , Ziniu Hu , Yewen Wang , Yingyan , Lin , Jason Cong , Yizhou Sun

Graph neural networks (GNNs) are a powerful architecture for tackling graph learning tasks, yet have been shown to be oblivious to eminent substructures such as cycles. We present TOGL, a novel layer that incorporates global topological…

Machine Learning · Computer Science 2022-03-18 Max Horn , Edward De Brouwer , Michael Moor , Yves Moreau , Bastian Rieck , Karsten Borgwardt

Graph neural networks (GNNs) have achieved tremendous success on multiple graph-based learning tasks by fusing network structure and node features. Modern GNN models are built upon iterative aggregation of neighbor's/proximity features by…

Machine Learning · Computer Science 2021-06-15 Susheel Suresh , Vinith Budde , Jennifer Neville , Pan Li , Jianzhu Ma

Graph neural networks (GNNs) have struggled to outperform traditional optimization methods on combinatorial problems, limiting their practical impact. We address this gap by introducing a novel chaining procedure for the graph alignment…

Machine Learning · Computer Science 2025-10-06 Marc Lelarge

Graph Neural Networks (GNNs) and their message passing framework that leverages both structural and feature information, have become a standard method for solving graph-based machine learning problems. However, these approaches still…

Machine Learning · Computer Science 2024-11-20 Simon Delarue , Thomas Bonald , Tiphaine Viard

Graph neural networks (GNNs) are popular to use for classifying structured data in the context of machine learning. But surprisingly, they are rarely applied to regression problems. In this work, we adopt GNN for a classic but challenging…

Machine Learning · Computer Science 2021-02-16 Wenzhong Yan , Di Jin , Zhidi Lin , Feng Yin

Graph neural networks (GNNs) have extended the success of deep neural networks (DNNs) to non-Euclidean graph data, achieving ground-breaking performance on various tasks such as node classification and graph property prediction.…

Machine Learning · Computer Science 2021-12-17 Tianfeng Liu , Yangrui Chen , Dan Li , Chuan Wu , Yibo Zhu , Jun He , Yanghua Peng , Hongzheng Chen , Hongzhi Chen , Chuanxiong Guo

Graph classification is an important area in both modern research and industry. Multiple applications, especially in chemistry and novel drug discovery, encourage rapid development of machine learning models in this area. To keep up with…

Machine Learning · Computer Science 2022-11-08 Jakub Adamczyk

Graph Neural Networks (GNNs) have excelled in predicting graph properties in various applications ranging from identifying trends in social networks to drug discovery and malware detection. With the abundance of new architectures and…

Machine Learning · Computer Science 2024-06-06 Roya Aliakbarisani , Robert Jankowski , M. Ángeles Serrano , Marián Boguñá

While Graph Neural Networks (GNNs) have achieved remarkable results in a variety of applications, recent studies exposed important shortcomings in their ability to capture the structure of the underlying graph. It has been shown that the…

Machine Learning · Computer Science 2023-09-26 Giorgos Bouritsas , Fabrizio Frasca , Stefanos Zafeiriou , Michael M. Bronstein

Time series forecasting is an extensively studied subject in statistics, economics, and computer science. Exploration of the correlation and causation among the variables in a multivariate time series shows promise in enhancing the…

Machine Learning · Computer Science 2021-04-22 Chao Shang , Jie Chen , Jinbo Bi

Dynamic Graph Neural Networks (GNNs) combine temporal information with GNNs to capture structural, temporal, and contextual relationships in dynamic graphs simultaneously, leading to enhanced performance in various applications. As the…

Machine Learning · Computer Science 2024-05-02 ZhengZhao Feng , Rui Wang , TianXing Wang , Mingli Song , Sai Wu , Shuibing He

Heterogeneous graph neural networks (HGNNs) can learn from typed and relational graph data more effectively than conventional GNNs. With larger parameter spaces, HGNNs may require more training data, which is often scarce in real-world…

Machine Learning · Computer Science 2023-05-18 Xinyu Fu , Irwin King

Graph Neural Networks (GNNs) are characterized by their capacity of processing graph-structured data. However, due to the sparsity of labels under semi-supervised learning, they have been found to exhibit biased performance on specific…

Machine Learning · Computer Science 2025-12-16 Yihan Zhang

Graphs are fundamental data structures for modeling complex interactions in domains such as social networks, molecular structures, and biological systems. Graph-level tasks, which involve predicting properties or labels for entire graphs,…

Machine Learning · Computer Science 2026-04-10 Haoyang Li , Yuming Xu , Alexander Zhou , Yongqi Zhang , Jason Chen Zhang , Lei Chen , Qing Li

This work develops a distributed graph neural network (GNN) methodology for mesh-based modeling applications using a consistent neural message passing layer. As the name implies, the focus is on enabling scalable operations that satisfy…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-10-03 Shivam Barwey , Riccardo Balin , Bethany Lusch , Saumil Patel , Ramesh Balakrishnan , Pinaki Pal , Romit Maulik , Venkatram Vishwanath

This paper studies the interplay between learning algorithms and graph structure for graph neural networks (GNNs). Existing theoretical studies on the learning dynamics of GNNs primarily focus on the convergence rates of learning algorithms…

Machine Learning · Computer Science 2025-08-21 Junwei Su , Chuan Wu

Federated learning (FL) has emerged as a key paradigm for collaborative model training across multiple clients without sharing raw data, enabling privacy-preserving applications in areas such as radiology and pathology. However, works on…

Machine Learning · Computer Science 2025-10-31 Furkan Pala , Islem Rekik