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In this paper, we propose a graph neural network architecture to solve the AC power flow problem under realistic constraints. To ensure a safe and resilient operation of distribution grids, AC power flow calculations are the means of choice…

Machine Learning · Computer Science 2023-08-31 Luis Böttcher , Hinrikus Wolf , Bastian Jung , Philipp Lutat , Marc Trageser , Oliver Pohl , Andreas Ulbig , Martin Grohe

Graph neural networks (GNNs) have achieved great success in many scenarios with graph-structured data. However, in many real applications, there are three issues when applying GNNs: graphs are unknown, nodes have noisy features, and graphs…

Machine Learning · Computer Science 2022-10-11 Yixiang Shan , Jielong Yang , Xing Liu , Yixing Gao , Hechang Chen , Shuzhi Sam Ge

Graph Neural Networks (GNNs) are an effective framework for representation learning of graphs. GNNs follow a neighborhood aggregation scheme, where the representation vector of a node is computed by recursively aggregating and transforming…

Machine Learning · Computer Science 2019-02-26 Keyulu Xu , Weihua Hu , Jure Leskovec , Stefanie Jegelka

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

Many interesting datasets ubiquitous in machine learning and deep learning can be described via graphs. As the scale and complexity of graph-structured datasets increase, such as in expansive social networks, protein folding, chemical…

Machine Learning · Computer Science 2021-04-06 Matthew T. Dearing , Xiaoyan Wang

In this research, we developed a graph-based framework to represent various aspects of optimal thermal management system design, with the aim of rapidly and efficiently identifying optimal design candidates. Initially, the graph-based…

Systems and Control · Electrical Eng. & Systems 2023-11-28 Saeid Bayat , Nastaran Shahmansouri , Satya RT Peddada , Alex Tessier , Adrian Butscher , James T Allison

Managing evolving graph data presents substantial challenges in storage and privacy, and training graph neural networks (GNNs) on such data often leads to catastrophic forgetting, impairing performance on earlier tasks. Despite existing…

Machine Learning · Computer Science 2025-05-29 Yinlin Zhu , Miao Hu , Di Wu

A large number of real-world networks include multiple types of nodes and edges. Graph Neural Network (GNN) emerged as a deep learning framework to generate node and graph embeddings for downstream machine learning tasks. However, popular…

Machine Learning · Computer Science 2024-11-26 Ziynet Nesibe Kesimoglu , Serdar Bozdag

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

Contemporary research advances in nanotechnology and material science are rooted in the emergence of nanodevices as a versatile tool that harmonizes sensing, computing, wireless communication, data storage, and energy harvesting. These…

Graph Neural Networks (GNNs) have recently been explored as surrogate models for numerical simulations. While their applications in computational fluid dynamics have been investigated, little attention has been given to structural problems,…

Machine Learning · Computer Science 2025-10-30 Alessandro Lucchetti , Francesco Cadini , Marco Giglio , Luca Lomazzi

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-structured data are pervasive in the real-world such as social networks, molecular graphs and transaction networks. Graph neural networks (GNNs) have achieved great success in representation learning on graphs, facilitating various…

Machine Learning · Computer Science 2025-02-27 Zhimeng Guo , Teng Xiao , Zongyu Wu , Charu Aggarwal , Hui Liu , Suhang Wang

Graph neural networks (GNNs) appear to be powerful tools to learn state representations for agents in distributed, decentralized multi-agent systems, but generate catastrophically incorrect predictions when nodes update asynchronously…

Machine Learning · Computer Science 2025-07-23 Olga Solodova , Nick Richardson , Deniz Oktay , Ryan P. Adams

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

Exploring the complex structure of the human brain is crucial for understanding its functionality and diagnosing brain disorders. Thanks to advancements in neuroimaging technology, a novel approach has emerged that involves modeling the…

Machine Learning · Computer Science 2024-06-06 Xuexiong Luo , Jia Wu , Jian Yang , Shan Xue , Amin Beheshti , Quan Z. Sheng , David McAlpine , Paul Sowman , Alexis Giral , Philip S. Yu

Graph Neural Networks have emerged as an effective machine learning tool for multi-disciplinary tasks such as pharmaceutical molecule classification and chemical reaction prediction, because they can model non-euclidean relationships…

Machine Learning · Computer Science 2023-07-27 Tongya Zheng , Tianli Zhang , Qingzheng Guan , Wenjie Huang , Zunlei Feng , Mingli Song , Chun Chen

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

We explore the feasibility of combining Graph Neural Network-based policy architectures with Deep Reinforcement Learning as an approach to problems in systems. This fits particularly well with operations on networks, which naturally take…

Machine Learning · Computer Science 2021-12-02 Oliver Hope , Eiko Yoneki

Graph Neural Networks (GNNs) are a powerful tool for machine learning on graphs.GNNs combine node feature information with the graph structure by recursively passing neural messages along edges of the input graph. However, incorporating…

Machine Learning · Computer Science 2019-11-15 Rex Ying , Dylan Bourgeois , Jiaxuan You , Marinka Zitnik , Jure Leskovec