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Graph kernels have been successfully applied to many graph classification problems. Typically, a kernel is first designed, and then an SVM classifier is trained based on the features defined implicitly by this kernel. This two-stage…

Recently, techniques for applying convolutional neural networks to graph-structured data have emerged. Graph convolutional neural networks (GCNNs) have been used to address node and graph classification and matrix completion. Although the…

机器学习 · 统计学 2018-11-28 Yingxue Zhang , Soumyasundar Pal , Mark Coates , Deniz Üstebay

The increasingly wide use of deep machine learning techniques in computational mechanics has significantly accelerated simulations of problems that were considered unapproachable just a few years ago. However, in critical applications such…

机器学习 · 计算机科学 2026-04-01 David Gonzalez , Alba Muixi , Beatriz Moya , Elias Cueto

Graph Neural Networks (GNNs) have become the leading approach for addressing graph analytical problems in various real-world scenarios. However, GNNs may produce biased predictions against certain demographic subgroups due to node…

机器学习 · 计算机科学 2025-07-16 Yonas Sium , Qi Li

Graph convolutional neural networks (GCNs) generalize tradition convolutional neural networks (CNNs) from low-dimensional regular graphs (e.g., image) to high dimensional irregular graphs (e.g., text documents on word embeddings). Due to…

机器学习 · 计算机科学 2021-03-30 Mehrnaz Najafi , Philip S. Yu

Graph neural networks (GNNs) are composed of layers consisting of graph convolutions and pointwise nonlinearities. Due to their invariance and stability properties, GNNs are provably successful at learning representations from data…

机器学习 · 计算机科学 2023-08-09 Luana Ruiz , Luiz F. O. Chamon , Alejandro Ribeiro

Graph neural networks (GNNs) have been extensively studied for prediction tasks on graphs. As pointed out by recent studies, most GNNs assume local homophily, i.e., strong similarities in local neighborhoods. This assumption however limits…

机器学习 · 计算机科学 2021-10-04 Sean Li , Dongwoo Kim , Qing Wang

Diverse explainability methods of graph neural networks (GNN) have recently been developed to highlight the edges and nodes in the graph that contribute the most to the model predictions. However, it is not clear yet how to evaluate the…

人工智能 · 计算机科学 2023-11-07 Kenza Amara , Mennatallah El-Assady , Rex Ying

The integration of Graph Neural Networks (GNNs) and Neural Ordinary and Partial Differential Equations has been extensively studied in recent years. GNN architectures powered by neural differential equations allow us to reason about their…

机器学习 · 计算机科学 2024-06-18 Moshe Eliasof , Eldad Haber , Eran Treister

The usual figure of merit characterizing the performance of neural networks applied to problems in the quantum domain is their accuracy, being the probability of a correct answer on a previously unseen input. Here we append this parameter…

量子物理 · 物理学 2022-12-29 Jan Wasilewski , Tomasz Paterek , Karol Horodecki

Graph neural networks (GNNs) have significantly improved the representation power for graph-structured data. Despite of the recent success of GNNs, the graph convolution in most GNNs have two limitations. Since the graph convolution is…

机器学习 · 计算机科学 2021-12-30 Jinyoung Park , Sungdong Yoo , Jihwan Park , Hyunwoo J. Kim

Graph Neural Networks (GNNs) have achieved remarkable performance in modeling graphs for various applications. However, most existing GNNs assume the graphs exhibit strong homophily in node labels, i.e., nodes with similar labels are…

机器学习 · 计算机科学 2023-02-20 Enyan Dai , Shijie Zhou , Zhimeng Guo , Suhang Wang

Graph neural networks (GNNs) are a class of deep models that operate on data with arbitrary topology represented as graphs. We introduce an efficient memory layer for GNNs that can jointly learn node representations and coarsen the graph.…

机器学习 · 计算机科学 2020-06-11 Amir Hosein Khasahmadi , Kaveh Hassani , Parsa Moradi , Leo Lee , Quaid Morris

Graph neural networks (GNNs) demonstrate a robust capability for representation learning on graphs with complex structures, showcasing superior performance in various applications. The majority of existing GNNs employ a graph convolution…

机器学习 · 计算机科学 2025-02-19 Jinlu Wang , Jipeng Guo , Yanfeng Sun , Junbin Gao , Shaofan Wang , Yachao Yang , Baocai Yin

Contemporary undertakings provide limitless opportunities for widespread application of machine reasoning and artificial intelligence in situations characterised by uncertainty, hostility and sheer volume of data. The paper develops a…

人工智能 · 计算机科学 2022-08-05 Branko Ristic , Alessio Benavoli , Sanjeev Arulampalam

Causal discovery from observational data is challenging, especially with large datasets and complex relationships. Traditional methods often struggle with scalability and capturing global structural information. To overcome these…

机器学习 · 计算机科学 2025-07-29 Rezaur Rashid , Gabriel Terejanu

It has been observed that message-passing graph neural networks (GNN) sometimes struggle to maintain a healthy balance between the efficient/scalable modeling of long-range dependencies across nodes while avoiding unintended consequences…

机器学习 · 计算机科学 2025-05-21 Yongyi Yang , Tang Liu , Yangkun Wang , Zengfeng Huang , David Wipf

Graph neural networks (GNNs) are the most widely adopted model in graph-structured data oriented learning and representation. Despite their extraordinary success in real-world applications, understanding their working mechanism by theory is…

机器学习 · 计算机科学 2023-05-16 Huayi Tang , Yong Liu

Graph convolution networks (GCNs) have been enormously successful in learning representations over several graph-based machine learning tasks. Specific to learning rich node representations, most of the methods have solely relied on the…

机器学习 · 计算机科学 2022-11-03 Ashish Tiwari , Sresth Tosniwal , Shanmuganathan Raman

Benefiting from the injection of human prior knowledge, graphs, as derived discrete data, are semantically dense so that models can efficiently learn the semantic information from such data. Accordingly, graph neural networks (GNNs) indeed…

机器学习 · 计算机科学 2023-05-25 Hang Gao , Jiangmeng Li , Wenwen Qiang , Lingyu Si , Xingzhe Su , Fengge Wu , Changwen Zheng , Fuchun Sun