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Due to a huge volume of information in many domains, the need for classification methods is imperious. In spite of many advances, most of the approaches require a large amount of labeled data, which is often not available, due to costs and…

Computer Vision and Pattern Recognition · Computer Science 2023-04-26 Lucas Pascotti Valem , Daniel Carlos Guimarães Pedronette , Longin Jan Latecki

Graph-based Neural Networks (GNNs) are recent models created for learning representations of nodes (and graphs), which have achieved promising results when detecting patterns that occur in large-scale data relating different entities. Among…

Machine Learning · Computer Science 2021-08-20 Ronald D. R. Pereira , Fabrício Murai

Graph neural networks (GNNs) have shown promise in addressing graph-related problems, including node classification. However, conventional GNNs assume an even distribution of data across classes, which is often not the case in real-world…

Machine Learning · Computer Science 2023-10-16 Zirui Liang , Yuntao Li , Tianjin Huang , Akrati Saxena , Yulong Pei , Mykola Pechenizkiy

Graph Neural Networks (GNNs) are widely used for node classification tasks but often fail to generalize when training and test nodes come from different distributions, limiting their practicality. To overcome this, recent approaches adopt…

Machine Learning · Computer Science 2024-06-04 Weihuang Zheng , Jiashuo Liu , Jiaxing Li , Jiayun Wu , Peng Cui , Youyong Kong

We present MatUQ, a benchmark framework for evaluating graph neural networks (GNNs) on out-of-distribution (OOD) materials property prediction with uncertainty quantification (UQ). MatUQ comprises 1,375 OOD prediction tasks constructed from…

Machine Learning · Computer Science 2025-11-18 Liqin Tan , Pin Chen , Menghan Liu , Xiean Wang , Jianhuan Cen , Qingsong Zou

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

The problem of unsupervised learning node embeddings in graphs is one of the important directions in modern network science. In this work we propose a novel framework, which is aimed to find embeddings by \textit{discriminating…

Machine Learning · Statistics 2020-01-24 Stanislav Tsepa , Maxim Panov

The Graph Convolutional Networks (GCNs) have achieved excellent results in node classification tasks, but the model's performance at low label rates is still unsatisfactory. Previous studies in Semi-Supervised Learning (SSL) for graph have…

Machine Learning · Computer Science 2023-11-30 Shuhao Shi , Jian Chen , Kai Qiao , Shuai Yang , Linyuan Wang , Bin Yan

We propose a simple yet effective method for detecting anomalous instances on an attribute graph with label information of a small number of instances. Although with standard anomaly detection methods it is usually assumed that instances…

Machine Learning · Statistics 2020-02-28 Atsutoshi Kumagai , Tomoharu Iwata , Yasuhiro Fujiwara

Self-training has become a popular semi-supervised learning technique for leveraging unlabeled data. However, the over-confidence of pseudo-labels remains a key challenge. In this paper, we propose a novel \emph{graph-based…

Machine Learning · Computer Science 2025-07-31 Tom Liu , Anna Wu , Chao Li

Background. Commonly, Deep Neural Networks (DNNs) generalize well on samples drawn from a distribution similar to that of the training set. However, DNNs' predictions are brittle and unreliable when the test samples are drawn from a…

Machine Learning · Computer Science 2022-04-01 Matan Haroush , Tzviel Frostig , Ruth Heller , Daniel Soudry

Most Graph Neural Networks (GNNs) predict the labels of unseen graphs by learning the correlation between the input graphs and labels. However, by presenting a graph classification investigation on the training graphs with severe bias,…

Machine Learning · Computer Science 2022-09-29 Shaohua Fan , Xiao Wang , Yanhu Mo , Chuan Shi , Jian Tang

Social media becomes the central way for people to obtain and utilise news, due to its rapidness and inexpensive value of data distribution. Though, such features of social media platforms also present it a root cause of fake news…

Social and Information Networks · Computer Science 2021-09-29 Priyanka Meel , Dinesh Kumar Vishwakarma

Here, we develop a framework for the prediction and screening of native defects and functional impurities in a chemical space of Group IV, III-V, and II-VI zinc blende (ZB) semiconductors, powered by crystal Graph-based Neural Networks…

Fake news detection is a significant challenge in the digital age, which has become increasingly important with the proliferation of social media and online communication networks. Graph Neural Networks (GNN)-based methods have shown high…

Machine Learning · Computer Science 2025-02-12 Batool Lakzaei , Mostafa Haghir Chehreghani , Alireza Bagheri

Graph Neural Networks (GNNs) have improved unsupervised community detection of clustered nodes due to their ability to encode the dual dimensionality of the connectivity and feature information spaces of graphs. Identifying the latent…

Machine Learning · Computer Science 2023-11-28 William Leeney , Ryan McConville

Graph Neural Networks (GNN) provide a powerful framework that elegantly integrates Graph theory with Machine learning for modeling and analysis of networked data. We consider the problem of quantifying the uncertainty in predictions of GNN…

Machine Learning · Computer Science 2022-05-23 Sai Munikoti , Deepesh Agarwal , Laya Das , Balasubramaniam Natarajan

Graph neural networks (GNNs) have been widely investigated in the field of semi-supervised graph machine learning. Most methods fail to exploit adequate graph information when labeled data is limited, leading to the problem of…

Machine Learning · Computer Science 2023-03-15 Linxuan Song , Wenxuan Tu , Sihang Zhou , Xinwang Liu , En Zhu

Recently, graph neural networks (GNNs) have proved to be suitable in tasks on unstructured data. Particularly in tasks as community detection, node classification, and link prediction. However, most GNN models still operate with static…

Machine Learning · Computer Science 2019-06-07 Darwin Saire Pilco , Adín Ramírez Rivera

Graph neural networks (GNNs) are able to achieve promising performance on multiple graph downstream tasks such as node classification and link prediction. Comparatively lesser work has been done to design GNNs which can operate directly for…

Social and Information Networks · Computer Science 2021-10-20 Sambaran Bandyopadhyay , Vishal Peter
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