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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 Nets (GNNs) have received increasing attentions, partially due to their superior performance in many node and graph classification tasks. However, there is a lack of understanding on what they are learning and how sophisticated…

Machine Learning · Computer Science 2020-06-11 Ting Chen , Song Bian , Yizhou Sun

Graph Neural Networks (GNNs) have gained traction in the complex domain of drug discovery because of their ability to process graph-structured data such as drug molecule models. This approach has resulted in a myriad of methods and models…

Machine Learning · Computer Science 2025-09-10 Katherine Berry , Liang Cheng

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

Node features and structural information of a graph are both crucial for semi-supervised node classification problems. A variety of graph neural network (GNN) based approaches have been proposed to tackle these problems, which typically…

Machine Learning · Computer Science 2021-07-29 Yu Wang , Yuesong Shen , Daniel Cremers

Two architectures that generalize convolutional neural networks (CNNs) for the processing of signals supported on graphs are introduced. We start with the selection graph neural network (GNN), which replaces linear time invariant filters…

Signal Processing · Electrical Eng. & Systems 2019-01-30 Fernando Gama , Antonio G. Marques , Geert Leus , Alejandro Ribeiro

Graph neural networks (GNNs) model nonlinear representations in graph data with applications in distributed agent coordination, control, and planning among others. Current GNN architectures assume ideal scenarios and ignore link…

Signal Processing · Electrical Eng. & Systems 2021-09-01 Zhan Gao , Elvin Isufi , Alejandro Ribeiro

Graph Neural Networks (GNNs) have been widely applied to various fields due to their powerful representations of graph-structured data. Despite the success of GNNs, most existing GNNs are designed to learn node representations on the fixed…

Machine Learning · Computer Science 2021-06-14 Seongjun Yun , Minbyul Jeong , Sungdong Yoo , Seunghun Lee , Sean S. Yi , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

Graph Neural Networks (GNNs), especially message-passing neural networks (MPNNs), have emerged as powerful architectures for learning on graphs in diverse applications. However, MPNNs face challenges when modeling non-local interactions in…

Machine Learning · Statistics 2024-01-31 Ilyes Batatia , Lars L. Schaaf , Huajie Chen , Gábor Csányi , Christoph Ortner , Felix A. Faber

Graph Neural Networks (GNNs) have demonstrated remarkable success in various applications, yet they often struggle to capture long-range dependencies (LRD) effectively. This paper introduces GraphMinNet, a novel GNN architecture that…

Machine Learning · Computer Science 2025-02-04 Md Atik Ahamed , Andrew Cheng , Qiang Ye , Qiang Cheng

Computing latent representations for graph-structured data is an ubiquitous learning task in many industrial and academic applications ranging from molecule synthetization to social network analysis and recommender systems. Knowledge graphs…

Neural and Evolutionary Computing · Computer Science 2023-08-25 Victor Caceres Chian , Marcel Hildebrandt , Thomas Runkler , Dominik Dold

An emerging trend in deep learning research focuses on the applications of graph neural networks (GNNs) for mesh-based continuum mechanics simulations. Most of these learning frameworks operate on graphs wherein each edge connects two…

Fluid Dynamics · Physics 2024-10-08 Rui Gao , Indu Kant Deo , Rajeev K. Jaiman

Graph neural networks are emerging as continuation of deep learning success w.r.t. graph data. Tens of different graph neural network variants have been proposed, most following a neighborhood aggregation scheme, where the node features are…

Machine Learning · Computer Science 2021-02-09 Dawei Leng , Jinjiang Guo , Lurong Pan , Jie Li , Xinyu Wang

Graph neural network (GNN) is a deep model for graph representation learning. One advantage of graph neural network is its ability to incorporate node features into the learning process. However, this prevents graph neural network from…

Machine Learning · Computer Science 2019-11-21 Chi Thang Duong , Thanh Dat Hoang , Ha The Hien Dang , Quoc Viet Hung Nguyen , Karl Aberer

Graph Neural Networks (GNNs) have emerged as a powerful tool to learn from graph-structured data. A paramount example of such data is the brain, which operates as a network, from the micro-scale of neurons, to the macro-scale of regions.…

Machine Learning · Computer Science 2022-11-17 Ahmed ElGazzar , Rajat Thomas , Guido van Wingen

Nowadays the development of new functional materials/chemical compounds using machine learning (ML) techniques is a hot topic and includes several crucial steps, one of which is the choice of chemical structure representation. Classical…

Computational Physics · Physics 2020-06-11 Vadim Korolev , Artem Mitrofanov , Alexandru Korotcov , Valery Tkachenko

Important advances have been made using convolutional neural network (CNN) approaches to solve complicated problems in areas that rely on grid structured data such as image processing and object classification. Recently, research on graph…

Machine Learning · Statistics 2018-08-24 Matthew Baron

Graph neural networks (GNNs) are shown to be successful in modeling applications with graph structures. However, training an accurate GNN model requires a large collection of labeled data and expressive features, which might be inaccessible…

Machine Learning · Computer Science 2019-06-03 Ziniu Hu , Changjun Fan , Ting Chen , Kai-Wei Chang , Yizhou Sun

Nowadays, it is broadly recognized in the power system community that to meet the ever expanding energy sector's needs, it is no longer possible to rely solely on physics-based models and that reliable, timely and sustainable operation of…

Machine Learning · Computer Science 2022-11-16 Yuzhou Chen , Tian Jiang , Miguel Heleno , Alexandre Moreira , Yulia R. Gel

Graph Neural Networks (GNNs) extend basic Neural Networks (NNs) by additionally making use of graph structure based on the relational inductive bias (edge bias), rather than treating the nodes as collections of independent and identically…

Machine Learning · Computer Science 2023-11-07 Sitao Luan , Chenqing Hua , Qincheng Lu , Jiaqi Zhu , Xiao-Wen Chang , Doina Precup