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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…

Graph classification is an important area in both modern research and industry. Multiple applications, especially in chemistry and novel drug discovery, encourage rapid development of machine learning models in this area. To keep up with…

Machine Learning · Computer Science 2022-11-08 Jakub Adamczyk

Despite remarkable success in diverse web-based applications, Graph Neural Networks(GNNs) inherit and further exacerbate historical discrimination and social stereotypes, which critically hinder their deployments in high-stake domains such…

Machine Learning · Computer Science 2025-01-28 Ying Song , Balaji Palanisamy

Graph Neural Networks (GNNs) are increasingly adopted across domains such as molecular biology and social network analysis, yet their black-box nature hinders interpretability and trust. This is especially problematic in high-stakes…

Machine Learning · Computer Science 2026-03-05 Matteo De Sanctis , Riccardo De Sanctis , Stefano Faralli , Paola Velardi , Bardh Prenkaj

Despite the wide application of Graph Convolutional Network (GCN), one major limitation is that it does not benefit from the increasing depth and suffers from the oversmoothing problem. In this work, we first characterize this phenomenon…

In modern computer vision, images are typically represented as a fixed uniform grid with some stride and processed via a deep convolutional neural network. We argue that deforming the grid to better align with the high-frequency image…

Computer Vision and Pattern Recognition · Computer Science 2023-04-05 Jun Gao , Zian Wang , Jinchen Xuan , Sanja Fidler

Protecting sensitive program content is a critical issue in various situations, ranging from legitimate use cases to unethical contexts. Obfuscation is one of the most used techniques to ensure such protection. Consequently, attackers must…

Cryptography and Security · Computer Science 2025-04-03 Roxane Cohen , Robin David , Florian Yger , Fabrice Rossi

Graph Neural Networks (GNNs) have emerged as a powerful approach for graph-based machine learning tasks. Previous work applied GNNs to image-derived graph representations for various downstream tasks such as classification or anomaly…

Computer Vision and Pattern Recognition · Computer Science 2025-08-19 Dehn Xu , Tim Katzke , Emmanuel Müller

Accurate indoor localization remains challenging due to variations in wireless signal environments and limited data availability. This paper introduces MetaGraphLoc, a novel system leveraging sensor fusion, graph neural networks (GNNs), and…

Signal Processing · Electrical Eng. & Systems 2024-11-28 Yaya Etiabi , Eslam Eldeeb , Mohammad Shehab , Wafa Njima , Hirley Alves , Mohamed-Slim Alouini , El Mehdi Amhoud

When facing graph signal processing tasks, the workhorse assumption is that the graph describing the support of the signals is known. However, in many relevant applications the available graph suffers from observation errors and…

Signal Processing · Electrical Eng. & Systems 2024-12-03 Samuel Rey , Victor M. Tenorio , Antonio G. Marques

Graph neural networks (GNNs) have shown advantages in graph-based analysis tasks. However, most existing methods have the homogeneity assumption and show poor performance on heterophilic graphs, where the linked nodes have dissimilar…

Machine Learning · Computer Science 2024-04-16 Tianhao Peng , Wenjun Wu , Haitao Yuan , Zhifeng Bao , Zhao Pengrui , Xin Yu , Xuetao Lin , Yu Liang , Yanjun Pu

Rule-based fine-grained IP geolocation methods are hard to generalize in computer networks which do not follow hypothetical rules. Recently, deep learning methods, like multi-layer perceptron (MLP), are tried to increase generalization…

Machine Learning · Computer Science 2023-04-18 Shichang Ding , Xiangyang Luo , Jinwei Wang , Xiaoming Fu

Graph Neural Networks (GNNs) have achieved significant success in learning better representations by performing feature propagation and transformation iteratively to leverage neighborhood information. Nevertheless, iterative propagation…

Machine Learning · Computer Science 2021-08-26 Yu Wang , Tyler Derr

This paper develops a novel graph convolutional network (GCN) framework for fault location in power distribution networks. The proposed approach integrates multiple measurements at different buses while taking system topology into account.…

Machine Learning · Computer Science 2019-11-19 Kunjin Chen , Jun Hu , Yu Zhang , Zhanqing Yu , Jinliang He

Fault localization is a process to find the location of faults. It determines the root cause of the failure. It identifies the causes of abnormal behaviour of a faulty program. It identifies exactly where the bugs are. Existing fault…

Software Engineering · Computer Science 2012-01-20 A. Askarunisa , T. Manju , B. Giri Babu

Determining the appropriate locus of care for addiction patients is one of the most critical clinical decisions that affects patient treatment outcomes and effective use of resources. With a lack of sufficient specialized treatment…

Machine Learning · Computer Science 2026-01-21 Subham Kumar , Lekhansh Shukla , Animesh Mukherjee , Koustav Rudra , Prakrithi Shivaprakash

Distributed Graph Neural Network (GNN) training suffers from substantial communication overhead due to the inherent neighborhood dependency in graph-structured data. This neighbor explosion problem requires workers to frequently exchange…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-01-27 Zizhao Zhang , Yihan Xue , Haotian Zhu , Sijia Li , Zhijun Wang , Yujie Xiao

Deep learning methods for graphs achieve remarkable performance on many node-level and graph-level prediction tasks. However, despite the proliferation of the methods and their success, prevailing Graph Neural Networks (GNNs) neglect…

Machine Learning · Computer Science 2020-11-10 Emily Alsentzer , Samuel G. Finlayson , Michelle M. Li , Marinka Zitnik

This paper proposes to use graph neural networks (GNNs) for equalization, that can also be used to perform joint equalization and decoding (JED). For equalization, the GNN is build upon the factor graph representations of the channel, while…

Information Theory · Computer Science 2024-01-30 Jannis Clausius , Marvin Geiselhart , Daniel Tandler , Stephan ten Brink

Prior studies have demonstrated the effectiveness of Deep Learning (DL) in automated software vulnerability detection. Graph Neural Networks (GNNs) have proven effective in learning the graph representations of source code and are commonly…

Software Engineering · Computer Science 2023-02-10 Xin-Cheng Wen , Yupan Chen , Cuiyun Gao , Hongyu Zhang , Jie M. Zhang , Qing Liao