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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

Experimental reproducibility and replicability are critical topics in machine learning. Authors have often raised concerns about their lack in scientific publications to improve the quality of the field. Recently, the graph representation…

Machine Learning · Computer Science 2022-02-21 Federico Errica , Marco Podda , Davide Bacciu , Alessio Micheli

Graph neural network, as a powerful graph representation technique based on deep learning, has shown superior performance and attracted considerable research interest. However, it has not been fully considered in graph neural network for…

Social and Information Networks · Computer Science 2021-01-21 Xiao Wang , Houye Ji , Chuan Shi , Bai Wang , Peng Cui , P. Yu , Yanfang Ye

Graph Neural Networks (GNNs) have become powerful tools for learning from graph-structured data, finding applications across diverse domains. However, as graph sizes and connectivity increase, standard GNN training methods face significant…

Machine Learning · Computer Science 2025-12-01 Eshed Gal , Moshe Eliasof , Carola-Bibiane Schönlieb , Ivan I. Kyrchei , Eldad Haber , Eran Treister

In this paper we address the problem of change detection in multi-spectral images by proposing a data-driven framework of graph-based data fusion. The main steps of the proposed approach are: (i) The generation of a multi-temporal pixel…

Computer Vision and Pattern Recognition · Computer Science 2020-04-03 David Alejandro Jimenez Sierra , Hernán Darío Benítez Restrepo , Hernán Darío Vargas Cardonay , Jocelyn Chanussot

Graph Neural Networks have shown excellent performance on semi-supervised classification tasks. However, they assume access to a graph that may not be often available in practice. In the absence of any graph, constructing k-Nearest Neighbor…

Machine Learning · Computer Science 2021-02-23 Vijay Lingam , Arun Iyer , Rahul Ragesh

Graph-structured data is ubiquitous in the real world, and Graph Neural Networks (GNNs) have become increasingly popular in various fields due to their ability to process such irregular data directly. However, as data scale, GNNs become…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-02-10 Xianfeng Song , Yi Zou , Zheng Shi

Graph Neural Networks (GNNs) have been highly successful for the node classification task. GNNs typically assume graphs are homophilic, i.e. neighboring nodes are likely to belong to the same class. However, a number of real-world graphs…

Machine Learning · Computer Science 2024-09-20 Yurui Lai , Taiyan Zhang , Rui Fan

Many real-world problems can be represented as graph-based learning problems. In this paper, we propose a novel framework for learning spatial and attentional convolution neural networks on arbitrary graphs. Different from previous…

Machine Learning · Computer Science 2019-02-26 Hao Peng , Jianxin Li , Qiran Gong , Senzhang Wang , Yuanxing Ning , Philip S. Yu

Real-world graphs, such as social networks, financial transactions, and recommendation systems, often demonstrate dynamic behavior. This phenomenon, known as graph stream, involves the dynamic changes of nodes and the emergence and…

Machine Learning · Computer Science 2023-05-16 Yanping Zheng , Zhewei Wei , Jiajun Liu

Over the past few years, federated learning has become widely used in various classical machine learning fields because of its collaborative ability to train data from multiple sources without compromising privacy. However, in the area of…

Machine Learning · Computer Science 2024-03-26 Hao Song , Jiacheng Yao , Zhengxi Li , Shaocong Xu , Shibo Jin , Jiajun Zhou , Chenbo Fu , Qi Xuan , Shanqing Yu

Infrared and visible image fusion aims to extract complementary features to synthesize a single fused image. Many methods employ convolutional neural networks (CNNs) to extract local features due to its translation invariance and locality.…

Computer Vision and Pattern Recognition · Computer Science 2023-11-02 Jing Li , Lu Bai , Bin Yang , Chang Li , Lingfei Ma , Edwin R. Hancock

Graph Convolutional Neural Networks (GCNNs) are generalizations of CNNs to graph-structured data, in which convolution is guided by the graph topology. In many cases where graphs are unavailable, existing methods manually construct graphs…

Machine Learning · Computer Science 2019-09-17 Xiang Gao , Wei Hu , Zongming Guo

Graph neural networks (GNNs) have received massive attention in the field of machine learning on graphs. Inspired by the success of neural networks, a line of research has been conducted to train GNNs to deal with various tasks, such as…

Machine Learning · Computer Science 2022-04-11 Manh Tuan Do , Noseong Park , Kijung Shin

Narrowing the performance gap between optimal and feasible detection in inter-symbol interference (ISI) channels, this paper proposes to use graph neural networks (GNNs) for detection that can also be used to perform joint detection and…

Information Theory · Computer Science 2025-07-16 Jannis Clausius , Marvin Rübenacke , Daniel Tandler , Stephan ten Brink

Graph-based clustering methods have demonstrated the effectiveness in various applications. Generally, existing graph-based clustering methods first construct a graph to represent the input data and then partition it to generate the…

Machine Learning · Computer Science 2019-12-17 Yuheng Jia , Hui Liu , Junhui Hou , Sam Kwong

Graph neural networks (GNNs) have been demonstrated to be a powerful algorithmic model in broad application fields for their effectiveness in learning over graphs. To scale GNN training up for large-scale and ever-growing graphs, the most…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-11-30 Haiyang Lin , Mingyu Yan , Xiaochun Ye , Dongrui Fan , Shirui Pan , Wenguang Chen , Yuan Xie

We propose an adaptive graph coarsening method to jointly learn graph neural network (GNN) parameters and merge nodes via K-means clustering during training. As real-world graphs grow larger, processing them directly becomes increasingly…

Machine Learning · Computer Science 2025-10-01 Rostyslav Olshevskyi , Madeline Navarro , Santiago Segarra

The goal of graph summarization is to represent large graphs in a structured and compact way. A graph summary based on equivalence classes preserves pre-defined features of a graph's vertex within a $k$-hop neighborhood such as the vertex…

Machine Learning · Computer Science 2022-12-09 Maximilian Blasi , Manuel Freudenreich , Johannes Horvath , David Richerby , Ansgar Scherp

We consider the graph link prediction task, which is a classic graph analytical problem with many real-world applications. With the advances of deep learning, current link prediction methods commonly compute features from subgraphs centered…

Machine Learning · Computer Science 2020-10-21 Lei Cai , Jundong Li , Jie Wang , Shuiwang Ji
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