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Graph Neural Networks (GNNs) have been studied through the lens of expressive power and generalization. However, their optimization properties are less well understood. We take the first step towards analyzing GNN training by studying the…

Machine Learning · Computer Science 2021-05-27 Keyulu Xu , Mozhi Zhang , Stefanie Jegelka , Kenji Kawaguchi

We introduce graph normalizing flows: a new, reversible graph neural network model for prediction and generation. On supervised tasks, graph normalizing flows perform similarly to message passing neural networks, but at a significantly…

Machine Learning · Computer Science 2019-05-31 Jenny Liu , Aviral Kumar , Jimmy Ba , Jamie Kiros , Kevin Swersky

Graph Neural Networks (GNNs) are powerful deep learning models to generate node embeddings on graphs. When applying deep GNNs on large graphs, it is still challenging to perform training in an efficient and scalable way. We propose a novel…

Machine Learning · Computer Science 2020-10-08 Hanqing Zeng , Hongkuan Zhou , Ajitesh Srivastava , Rajgopal Kannan , Viktor Prasanna

This paper explores the applications and challenges of graph neural networks (GNNs) in processing complex graph data brought about by the rapid development of the Internet. Given the heterogeneity and redundancy problems that graph data…

Machine Learning · Computer Science 2024-10-24 Jianjun Wei , Yue Liu , Xin Huang , Xin Zhang , Wenyi Liu , Xu Yan

A long-standing goal in deep learning has been to characterize the learning behavior of black-box models in a more interpretable manner. For graph neural networks (GNNs), considerable advances have been made in formalizing what functions…

Machine Learning · Computer Science 2024-06-19 Chenxiao Yang , Qitian Wu , David Wipf , Ruoyu Sun , Junchi Yan

Graph Neural Networks (GNNs) have become powerful tools for learning from graph-structured data, finding applications across diverse domains. However, as graph sizes and connectivity increase, standard GNN training methods face significant…

Machine Learning · Computer Science 2025-12-01 Eshed Gal , Moshe Eliasof , Carola-Bibiane Schönlieb , Ivan I. Kyrchei , Eldad Haber , Eran Treister

Existing popular methods for semi-supervised learning with Graph Neural Networks (such as the Graph Convolutional Network) provably cannot learn a general class of neighborhood mixing relationships. To address this weakness, we propose a…

Previous research has sought to enhance the graph reasoning capabilities of LLMs by supervised fine-tuning on synthetic graph data. While these led to specialized LLMs better at solving graph algorithm problems, we don't need LLMs for…

Machine Learning · Computer Science 2025-08-19 Yizhuo Zhang , Heng Wang , Shangbin Feng , Zhaoxuan Tan , Xinyun Liu , Yulia Tsvetkov

Graph-based semi-supervised learning is one of the most popular methods in machine learning. Some of its theoretical properties such as bounds for the generalization error and the convergence of the graph Laplacian regularizer have been…

Machine Learning · Statistics 2019-04-12 Chengan Du , Yunpeng Zhao , Feng Wang

Graph structure learning is a well-established problem that aims at optimizing graph structures adaptive to specific graph datasets to help message passing neural networks (i.e., GNNs) to yield effective and robust node embeddings. However,…

Machine Learning · Computer Science 2023-06-21 Wentao Zhao , Qitian Wu , Chenxiao Yang , Junchi Yan

Graph topology inference, i.e., learning graphs from a given set of nodal observations, is a significant task in many application domains. Existing approaches are mostly limited to learning a single graph assuming that the observed data is…

Signal Processing · Electrical Eng. & Systems 2024-01-26 Abdullah Karaaslanli , Selin Aviyente

Semi-supervised learning on graphs is a widely applicable problem in network science and machine learning. Two standard algorithms -- label propagation and graph neural networks -- both operate by repeatedly passing information along edges,…

Machine Learning · Computer Science 2021-02-02 Junteng Jia , Austin R. Benson

Generating explanations for graph neural networks (GNNs) has been studied to understand their behavior in analytical tasks such as graph classification. Existing approaches aim to understand the overall results of GNNs rather than providing…

Machine Learning · Computer Science 2024-01-10 Tingyang Chen , Dazhuo Qiu , Yinghui Wu , Arijit Khan , Xiangyu Ke , Yunjun Gao

Graph Neural Networks (GNN) have emerged as a popular and standard approach for learning from graph-structured data. The literature on GNN highlights the potential of this evolving research area and its widespread adoption in real-life…

Machine Learning · Computer Science 2024-03-25 Sukhdeep Singh , Anuj Sharma , Vinod Kumar Chauhan

Graph Neural Networks are notorious for its memory consumption. A recent Transformer-based GNN called Graph Transformer is shown to obtain superior performances when long range dependencies exist. However, combining graph data and…

Machine Learning · Computer Science 2024-03-25 Eugene Ku

The emergence of graph neural networks (GNNs) has offered a powerful tool for semi-supervised node classification tasks. Subsequent studies have achieved further improvements through refining the message passing schemes in GNN models or…

Machine Learning · Computer Science 2025-11-26 Songbo Wang , Renchi Yang , Yurui Lai , Xiaoyang Lin , Tsz Nam Chan

Many combinatorial optimization problems can be phrased in the language of constraint satisfaction problems. We introduce a graph neural network architecture for solving such optimization problems. The architecture is generic; it works for…

Artificial Intelligence · Computer Science 2020-02-12 Jan Toenshoff , Martin Ritzert , Hinrikus Wolf , Martin Grohe

We consider graph representation learning in a self-supervised manner. Graph neural networks (GNNs) use neighborhood aggregation as a core component that results in feature smoothing among nodes in proximity. While successful in various…

Machine Learning · Computer Science 2021-07-20 Wei Zhuo , Guang Tan

Graphs can model complex relationships between objects, enabling a myriad of Web applications such as online page/article classification and social recommendation. While graph neural networks(GNNs) have emerged as a powerful tool for graph…

Machine Learning · Computer Science 2023-02-28 Zemin Liu , Xingtong Yu , Yuan Fang , Xinming Zhang

Graph Neural Networks (GNNs) have become a standard approach for learning from graph-structured data. However, their reliance on parametric classifiers (most often linear softmax layers) limits interpretability and sometimes hinders…

Machine Learning · Computer Science 2026-02-03 Zeljko Bolevic , Milos Brajovic , Isidora Stankovic , Ljubisa Stankovic