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In the field of deep learning, Graph Neural Networks (GNNs) and Graph Transformer models, with their outstanding performance and flexible architectural designs, have become leading technologies for processing structured data, especially…

Machine Learning · Computer Science 2025-02-04 Jiawei E , Yinglong Zhang , Xuewen Xia , Xing Xu

Feature-based image matching has extensive applications in computer vision. Keypoints detected in images can be naturally represented as graph structures, and Graph Neural Networks (GNNs) have been shown to outperform traditional deep…

Computer Vision and Pattern Recognition · Computer Science 2025-08-29 Xianfeng Song , Yi Zou , Zheng Shi , Zheng Liu

Graph Neural Networks (GNNs) have become the state-of-the-art method for many applications on graph structured data. GNNs are a model for graph representation learning, which aims at learning to generate low dimensional node embeddings that…

Machine Learning · Computer Science 2022-05-23 Davide Buffelli , Fabio Vandin

Nearest neighbor search is a fundamental data structure problem with many applications in machine learning, computer vision, recommendation systems and other fields. Although the main objective of the data structure is to quickly report…

Data Structures and Algorithms · Computer Science 2025-02-20 Piyush Anand , Piotr Indyk , Ravishankar Krishnaswamy , Sepideh Mahabadi , Vikas C. Raykar , Kirankumar Shiragur , Haike Xu

Equivariant Graph Neural Networks (GNNs) have achieved remarkable success across diverse scientific applications. However, existing approaches face critical efficiency challenges when scaling to large geometric graphs and suffer significant…

Machine Learning · Computer Science 2025-06-25 Yuelin Zhang , Jiacheng Cen , Jiaqi Han , Wenbing Huang

Capturing semantic consistency among nodes is crucial for effective graph representation learning. Existing approaches typically rely on $k$-nearest neighbors ($k$NN) or other node-level full search algorithms (FSA) to mine semantic…

Artificial Intelligence · Computer Science 2026-05-06 Genhao Tian , Taihua Xu , Shuyin Xia , Qinghua Zhang , Jie Yang , Jianjun Chen

Graph Neural Networks (GNNs) are a promising deep learning approach for circumventing many real-world problems on graph-structured data. However, these models usually have at least one of four fundamental limitations: over-smoothing,…

Machine Learning · Computer Science 2022-10-03 Xun Liu , Alex Hay-Man Ng , Fangyuan Lei , Yikuan Zhang , Zhengmin Li

Graph is a natural representation of data for a variety of real-word applications, such as knowledge graph mining, social network analysis and biological network comparison. For these applications, graph embedding is crucial as it provides…

Machine Learning · Computer Science 2020-01-24 Bitan Hou , Yujing Wang , Ming Zeng , Shan Jiang , Ole J. Mengshoel , Yunhai Tong , Jing Bai

Heterophily has been considered as an issue that hurts the performance of Graph Neural Networks (GNNs). To address this issue, some existing work uses a graph-level weighted fusion of the information of multi-hop neighbors to include more…

Machine Learning · Computer Science 2023-06-21 Yuhan Chen , Yihong Luo , Jing Tang , Liang Yang , Siya Qiu , Chuan Wang , Xiaochun Cao

Graph Neural Networks (GNNs) are a powerful representational tool for solving problems on graph-structured inputs. In almost all cases so far, however, they have been applied to directly recovering a final solution from raw inputs, without…

Machine Learning · Statistics 2020-01-16 Petar Veličković , Rex Ying , Matilde Padovano , Raia Hadsell , Charles Blundell

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 analytics can lead to better quantitative understanding and control of complex networks, but traditional methods suffer from high computational cost and excessive memory requirements associated with the high-dimensionality and…

Machine Learning · Computer Science 2020-12-16 Mengjia Xu

Graph embedding, aiming to learn low-dimensional representations (aka. embeddings) of nodes, has received significant attention recently. Recent years have witnessed a surge of efforts made on static graphs, among which Graph Convolutional…

Machine Learning · Computer Science 2021-04-08 Zeyu Cui , Zekun Li , Shu Wu , Xiaoyu Zhang , Qiang Liu , Liang Wang , Mengmeng Ai

Similarity graphs are an active research direction for the nearest neighbor search (NNS) problem. New algorithms for similarity graph construction are continuously being proposed and analyzed by both theoreticians and practitioners.…

Machine Learning · Computer Science 2020-02-14 Dmitry Baranchuk , Artem Babenko

Graph classification is a challenging problem owing to the difficulty in quantifying the similarity between graphs or representing graphs as vectors, though there have been a few methods using graph kernels or graph neural networks (GNNs).…

Machine Learning · Computer Science 2024-08-22 Zixiao Wang , Jicong Fan

Graph Neural Networks (GNNs) have demonstrated promising performance in graph analysis. Nevertheless, the inference process of GNNs remains costly, hindering their applications for large graphs. This paper proposes inference-friendly graph…

Machine Learning · Computer Science 2025-05-13 Yangxin Fan , Haolai Che , Yinghui Wu

Graphs are widely used to model the complex relationships among entities. As a powerful tool for graph analytics, graph neural networks (GNNs) have recently gained wide attention due to its end-to-end processing capabilities. With the…

Cryptography and Security · Computer Science 2023-02-01 Songlei Wang , Yifeng Zheng , Xiaohua Jia

Graph neural network training is mainly categorized into mini-batch and full-batch training methods. The mini-batch training method samples subgraphs from the original graph in each iteration. This sampling operation introduces extra…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-08-02 Shuai Zhang , Zite Jiang , Haihang You

Graph Neural Networks (GNNs) are widely used for learning on graph-structured data, but scaling GNN training to massive graphs remains challenging. To enable scalable distributed training, graphs are divided into smaller partitions that are…

Machine Learning · Computer Science 2026-04-02 Nikolai Merkel , Ruben Mayer , Volker Markl , Hans-Arno Jacobsen

Accurate prediction of molecular properties is essential in drug discovery and related fields. However, existing graph neural networks (GNNs) often struggle to simultaneously capture both local and global molecular structures. In this work,…

Machine Learning · Computer Science 2025-08-26 XiaYu Liu , Chao Fan , Yang Liu , Hou-biao Li