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Learning representations for graphs plays a critical role in a wide spectrum of downstream applications. In this paper, we summarize the limitations of the prior works in three folds: representation space, modeling dynamics and modeling…

Machine Learning · Computer Science 2021-04-07 Li Sun , Zhongbao Zhang , Jiawei Zhang , Feiyang Wang , Hao Peng , Sen Su , Philip S. Yu

Graph neural networks are deep neural networks designed for graphs with attributes attached to nodes or edges. The number of research papers in the literature concerning these models is growing rapidly due to their impressive performance on…

Machine Learning · Computer Science 2024-12-30 James H. Tanis , Chris Giannella , Adrian V. Mariano

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 (GNNs) are becoming increasingly popular in the medical domain for the tasks of disease classification and outcome prediction. Since patient data is not readily available as a graph, most existing methods either…

Computer Vision and Pattern Recognition · Computer Science 2023-10-05 Nithya Bhasker , Stefan Leger , Alexander Zwanenburg , Chethan Babu Reddy , Sebastian Bodenstedt , Steffen Löck , Stefanie Speidel

In recent years, graph neural networks (GNNs) have shown tremendous promise in solving problems in high energy physics, materials science, and fluid dynamics. In this work, we introduce a new application for GNNs in the physical sciences:…

Instrumentation and Methods for Astrophysics · Physics 2026-02-17 Sidharth Kannan , Pooyan Goodarzi , Evangelos E. Papalexakis , Jonathan W. Richardson

In this paper, we review recent developments and the role of Graph Neural Networks (GNNs) in computational drug discovery, including molecule generation, molecular property prediction, and drug-drug interaction prediction. By summarizing…

Machine Learning · Computer Science 2025-06-03 Zhengyu Fang , Xiaoge Zhang , Anyin Zhao , Xiao Li , Huiyuan Chen , Jing Li

Recently, there have been some breakthroughs in graph analysis by applying the graph neural networks (GNNs) following a neighborhood aggregation scheme, which demonstrate outstanding performance in many tasks. However, we observe that the…

Machine Learning · Computer Science 2021-04-13 Hanchen Wang , Defu Lian , Ying Zhang , Lu Qin , Xiangjian He , Yiguang Lin , Xuemin Lin

Graph Neural Networks (GNNs) address two key challenges in applying deep learning to graph-structured data: they handle varying size input graphs and ensure invariance under graph isomorphism. While GNNs have demonstrated broad…

Artificial Intelligence · Computer Science 2026-02-20 Bernardo Cuenca Grau , Eva Feng , Przemysław Andrzej Wałęga

The growing use of deep learning necessitates efficient network design and deployment, making neural predictors vital for estimating attributes such as accuracy and latency. Recently, Graph Neural Networks (GNNs) and transformers have shown…

Machine Learning · Computer Science 2025-07-02 Ruihan Xu , Haokui Zhang , Yaowei Wang , Wei Zeng , Shiliang Zhang

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

Graph Neural Networks (GNNs) are routinely used in molecular physics, social sciences, and economics to model many-body interactions in graph-like systems. However, GNNs are inherently local and can suffer from information flow bottlenecks.…

Computational Physics · Physics 2025-02-21 Alessandro Caruso , Jacopo Venturin , Lorenzo Giambagli , Edoardo Rolando , Frank Noé , Cecilia Clementi

Recently, efforts have been made in the community to design new Graph Neural Networks (GNN), as limitations of Message Passing Neural Networks became more apparent. This led to the appearance of Graph Transformers using global graph…

Quantum Physics · Physics 2022-10-20 Slimane Thabet , Romain Fouilland , Loic Henriet

Graph neural networks (GNNs) have received tremendous attention due to their power in learning effective representations for graphs. Most GNNs follow a message-passing scheme where the node representations are updated by aggregating and…

Machine Learning · Computer Science 2021-05-11 Wei Jin , Xiaorui Liu , Yao Ma , Tyler Derr , Charu Aggarwal , Jiliang Tang

Graph Neural Networks (GNNs) are deep learning models that take graph data as inputs, and they are applied to various tasks such as traffic prediction and molecular property prediction. However, owing to the complexity of the GNNs, it has…

Machine Learning · Computer Science 2021-11-02 Tetsu Kasanishi , Xueting Wang , Toshihiko Yamasaki

Deep learning methods for graphs achieve remarkable performance on many node-level and graph-level prediction tasks. However, despite the proliferation of the methods and their success, prevailing Graph Neural Networks (GNNs) neglect…

Machine Learning · Computer Science 2020-11-10 Emily Alsentzer , Samuel G. Finlayson , Michelle M. Li , Marinka Zitnik

With the remarkable success of representation learning for prediction problems, we have witnessed a rapid expansion of the use of machine learning and deep learning for the analysis of digital pathology and biopsy image patches. However,…

Machine Learning · Computer Science 2024-03-06 David Ahmedt-Aristizabal , Mohammad Ali Armin , Simon Denman , Clinton Fookes , Lars Petersson

The task of graph node classification is often approached by utilizing a local Graph Neural Network (GNN), that learns only local information from the node input features and their adjacency. In this paper, we propose to improve the…

Machine Learning · Computer Science 2024-06-18 Moshe Eliasof , Eran Treister

Deep learning has become the dominant approach in coping with various tasks in Natural LanguageProcessing (NLP). Although text inputs are typically represented as a sequence of tokens, there isa rich variety of NLP problems that can be best…

Computation and Language · Computer Science 2022-10-21 Lingfei Wu , Yu Chen , Kai Shen , Xiaojie Guo , Hanning Gao , Shucheng Li , Jian Pei , Bo Long

In this paper, we resort to the graph neural network (GNN) and propose the new channel tracking method for the massive multiple-input multiple-output networks under the high mobility scenario. We first utilize a small number of pilots to…

Information Theory · Computer Science 2020-04-21 Yindi Yang , Shun Zhang , Feifei Gao , Jianpeng Ma , Octavia A. Dobre

We show that viewing graphs as sets of node features and incorporating structural and positional information into a transformer architecture is able to outperform representations learned with classical graph neural networks (GNNs). Our…

Machine Learning · Computer Science 2021-06-11 Grégoire Mialon , Dexiong Chen , Margot Selosse , Julien Mairal