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While the celebrated graph neural networks yield effective representations for individual nodes of a graph, there has been relatively less success in extending to the task of graph similarity learning. Recent work on graph similarity…

Machine Learning · Computer Science 2021-08-20 Xiang Ling , Lingfei Wu , Saizhuo Wang , Tengfei Ma , Fangli Xu , Alex X. Liu , Chunming Wu , Shouling Ji

The choice of good distances and similarity measures between objects is important for many machine learning methods. Therefore, many metric learning algorithms have been developed in recent years, mainly for Euclidean data in order to…

Machine Learning · Computer Science 2022-12-23 Yacouba Kaloga , Pierre Borgnat , Amaury Habrard

Image classifiers for domain-specific tasks like Synthetic Aperture Radar Automatic Target Recognition (SAR ATR) and chest X-ray classification often rely on convolutional neural networks (CNNs). These networks, while powerful, experience…

Computer Vision and Pattern Recognition · Computer Science 2024-06-28 Jacob Fein-Ashley , Sachini Wickramasinghe , Bingyi Zhang , Rajgopal Kannan , Viktor Prasanna

Convolutional neural networks (CNNs) have achieved great success on grid-like data such as images, but face tremendous challenges in learning from more generic data such as graphs. In CNNs, the trainable local filters enable the automatic…

Machine Learning · Computer Science 2018-09-05 Hongyang Gao , Zhengyang Wang , Shuiwang Ji

Convolutional Neural Networks (CNNs) have proven highly effective for edge and mobile vision tasks due to their computational efficiency. While many recent works seek to enhance CNNs with global contextual understanding via…

Computer Vision and Pattern Recognition · Computer Science 2025-12-09 Đorđe Nedeljković

The graph structure is a commonly used data storage mode, and it turns out that the low-dimensional embedded representation of nodes in the graph is extremely useful in various typical tasks, such as node classification, link prediction ,…

Social and Information Networks · Computer Science 2020-08-03 Xing Li , Wei Wei , Xiangnan Feng , Xue Liu , Zhiming Zheng

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

Graph Neural Networks (GNNs) have been widely used for various learning tasks, ranging from node classification to link prediction. They have demonstrated excellent performance in multiple domains involving graph-structured data. However,…

Machine Learning · Computer Science 2026-03-19 Steven E. Wilson , Sina Khanmohammadi

Graph Convolutional Neural Networks (GCNNs) extend classical CNNs to graph data domain, such as brain networks, social networks and 3D point clouds. It is critical to identify an appropriate graph for the subsequent graph convolution.…

Machine Learning · Computer Science 2019-09-12 Jiaxiang Tang , Wei Hu , Xiang Gao , Zongming Guo

Graph Neural Networks (GNNs) combine node attributes over a fixed granularity of the local graph structure around a node to predict its label. However, different nodes may relate to a node-level property with a different granularity of its…

Machine Learning · Computer Science 2025-06-19 Kartik Sharma , Vineeth Rakesh , Yingtong Dou , Srijan Kumar , Mahashweta Das

In traditional Graph Neural Networks (GNN), graph convolutional learning is carried out through topology-driven recursive node content aggregation for network representation learning. In reality, network topology and node content are not…

Social and Information Networks · Computer Science 2020-03-31 Min Shi , Yufei Tang , Xingquan Zhu

Many interesting problems in machine learning are being revisited with new deep learning tools. For graph-based semisupervised learning, a recent important development is graph convolutional networks (GCNs), which nicely integrate local…

Machine Learning · Computer Science 2018-01-24 Qimai Li , Zhichao Han , Xiao-Ming Wu

Predicting interactions between structured entities lies at the core of numerous tasks such as drug regimen and new material design. In recent years, graph neural networks have become attractive. They represent structured entities as graphs…

Machine Learning · Computer Science 2020-04-21 Nuo Xu , Pinghui Wang , Long Chen , Jing Tao , Junzhou Zhao

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…

Machine Learning · Computer Science 2023-02-20 Enyan Dai , Shijie Zhou , Zhimeng Guo , Suhang Wang

Graph convolutional network (GCN) is an emerging neural network approach. It learns new representation of a node by aggregating feature vectors of all neighbors in the aggregation process without considering whether the neighbors or…

Machine Learning · Computer Science 2022-04-01 Li Zhang , Heda Song , Nikolaos Aletras , Haiping Lu

Graph embedding is an important approach for graph analysis tasks such as node classification and link prediction. The goal of graph embedding is to find a low dimensional representation of graph nodes that preserves the graph information.…

Machine Learning · Computer Science 2019-08-27 Mahsa Ghorbani , Mahdieh Soleymani Baghshah , Hamid R. Rabiee

Graph Neural Network (GNN) has been demonstrated its effectiveness in dealing with non-Euclidean structural data. Both spatial-based and spectral-based GNNs are relying on adjacency matrix to guide message passing among neighbors during…

Machine Learning · Computer Science 2021-06-09 Yang Hu , Haoxuan You , Zhecan Wang , Zhicheng Wang , Erjin Zhou , Yue Gao

Coarse-grained (CG) modeling simplifies molecular systems by mapping groups of atoms into representative units. However, traditional CG approaches rely on fixed mapping rules, which limit their ability to handle diverse chemical systems and…

Computational Physics · Physics 2025-09-26 Zhixuan Zhong , Linbo Ma , Jian Jiang

Multiple instance learning (MIL) aims to learn the mapping between a bag of instances and the bag-level label. In this paper, we propose a new end-to-end graph neural network (GNN) based algorithm for MIL: we treat each bag as a graph and…

Machine Learning · Computer Science 2019-06-13 Ming Tu , Jing Huang , Xiaodong He , Bowen Zhou

Graphs effectively characterize relational data, driving graph representation learning methods that uncover underlying predictive information. As state-of-the-art approaches, Graph Neural Networks (GNNs) enable end-to-end learning for…

Machine Learning · Computer Science 2025-04-24 Mao Wang , Tao Wu , Xingping Xian , Shaojie Qiao , Weina Niu , Canyixing Cui