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Polycyclic aromatic hydrocarbons (PAHs) are recognized as the primary contributors to the aromatic infrared bands (AIBs) widely observed in space. However, analyzing these AIBs remains challenging because of the immense structural diversity…

Astrophysics of Galaxies · Physics 2026-02-16 Guoqing Tang , Jiang He , Zhao Wang , Dong Qiu

The adversarial robustness of Graph Neural Networks (GNNs) has been questioned due to the false sense of security uncovered by strong adaptive attacks despite the existence of numerous defenses. In this work, we delve into the robustness…

Machine Learning · Computer Science 2024-11-12 Zhichao Hou , Ruiqi Feng , Tyler Derr , Xiaorui Liu

Deep graph neural networks (GNNs) have achieved excellent results on various tasks on increasingly large graph datasets with millions of nodes and edges. However, memory complexity has become a major obstacle when training deep GNNs for…

Machine Learning · Computer Science 2022-04-12 Guohao Li , Matthias Müller , Bernard Ghanem , Vladlen Koltun

Graph neural networks (GNNs) are powerful machine learning models for various graph learning tasks. Recently, the limitations of the expressive power of various GNN models have been revealed. For example, GNNs cannot distinguish some…

Machine Learning · Computer Science 2021-01-19 Ryoma Sato , Makoto Yamada , Hisashi Kashima

This study explores the effectiveness of graph neural networks (GNNs) for vulnerability detection in software code, utilizing a real-world dataset of Java vulnerability-fixing commits. The dataset's structure, based on the number of…

Cryptography and Security · Computer Science 2024-06-19 Ravil Mussabayev

Graph neural networks (GNNs) are among the most powerful tools in deep learning. They routinely solve complex problems on unstructured networks, such as node classification, graph classification, or link prediction, with high accuracy.…

Machine Learning · Computer Science 2023-08-21 Maciej Besta , Torsten Hoefler

Graph neural networks (GNNs) have been widely applied to numerous fields. A recent work which combines layered structure and residual connection proposes an improved deep architecture to extend CAmouflage-REsistant GNN (CARE-GNN) to deep…

Machine Learning · Computer Science 2022-02-15 Yufan Zeng , Jiashan Tang

Graph neural networks (GNNs), as topology/structure-aware models within deep learning, have emerged as powerful tools for AI-aided drug discovery (AIDD). By directly operating on molecular graphs, GNNs offer an intuitive and expressive…

Biomolecules · Quantitative Biology 2025-06-10 Odin Zhang , Haitao Lin , Xujun Zhang , Xiaorui Wang , Zhenxing Wu , Qing Ye , Weibo Zhao , Jike Wang , Kejun Ying , Yu Kang , Chang-yu Hsieh , Tingjun Hou

Deep neural networks (DNNs) have been widely applied to various applications, including image classification, text generation, audio recognition, and graph data analysis. However, recent studies have shown that DNNs are vulnerable to…

Cryptography and Security · Computer Science 2022-10-07 Lichao Sun , Yingtong Dou , Carl Yang , Ji Wang , Yixin Liu , Philip S. Yu , Lifang He , Bo Li

Graph Neural Networks (GNNs) have recently emerged as a robust framework for graph-structured data. They have been applied to many problems such as knowledge graph analysis, social networks recommendation, and even Covid19 detection and…

Software Engineering · Computer Science 2022-01-04 Thanh-Dat Nguyen , Thanh Le-Cong , ThanhVu H. Nguyen , Xuan-Bach D. Le , Quyet-Thang Huynh

Machine learning methods have a long history of applications in high energy physics (HEP). Recently, there is a growing interest in exploiting these methods to reconstruct particle signatures from raw detector data. In order to benefit from…

High Energy Physics - Phenomenology · Physics 2022-03-17 Javier Duarte , Jean-Roch Vlimant

Graph neural networks (GNNs) have been increasingly deployed in various applications that involve learning on non-Euclidean data. However, recent studies show that GNNs are vulnerable to graph adversarial attacks. Although there are several…

Machine Learning · Computer Science 2023-01-10 Chenhui Deng , Xiuyu Li , Zhuo Feng , Zhiru Zhang

Graph neural networks (GNNs) have been successfully applied to learning representation on graphs in many relational tasks. Recently, researchers study neural architecture search (NAS) to reduce the dependence of human expertise and explore…

Machine Learning · Computer Science 2021-09-06 Shaofei Cai , Liang Li , Xinzhe Han , Zheng-jun Zha , Qingming Huang

In the rapidly evolving landscape of digital assets, the imperative for robust data privacy and compliance with regulatory frameworks has intensified. This paper investigates the critical role of Graph Neural Networks (GNNs) in the…

Machine Learning · Computer Science 2024-09-30 Zara Lisbon

Graph Neural Networks (GNNs) have been widely employed for semi-supervised node classification tasks on graphs. However, the performance of GNNs is significantly affected by label noise, that is, a small amount of incorrectly labeled nodes…

Machine Learning · Computer Science 2024-11-19 Rui Zhao , Bin Shi , Zhiming Liang , Jianfei Ruan , Bo Dong , Lu Lin

Graph Neural Networks (GNNs) have shown success in learning from graph structured data containing node/edge feature information, with application to social networks, recommendation, fraud detection and knowledge graph reasoning. In this…

Machine Learning · Computer Science 2021-11-24 Xiang Song , Runjie Ma , Jiahang Li , Muhan Zhang , David Paul Wipf

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

The Canada-France-Hawaii Legacy Survey (CFHTLS) comprising about 25 000 MegaCam images was data mined to search for serendipitous encounters of known Near Earth Asteroids (NEAs) and Potentially Hazardous Asteroids (PHAs). A total of 143…

Earth and Planetary Astrophysics · Physics 2011-07-13 O. Vaduvescu , A. Tudorica , M. Birlan , R. Toma , M. Badea , D. Dumitru , C. Opriseanu , D. Vidican

Graph neural network (GNN), as a powerful representation learning model on graph data, attracts much attention across various disciplines. However, recent studies show that GNN is vulnerable to adversarial attacks. How to make GNN more…

Machine Learning · Computer Science 2019-05-14 Shen Wang , Zhengzhang Chen , Jingchao Ni , Xiao Yu , Zhichun Li , Haifeng Chen , Philip S. Yu

When employing deep neural networks (DNNs) for semantic segmentation in safety-critical applications like automotive perception or medical imaging, it is important to estimate their performance at runtime, e.g. via uncertainty estimates or…

Computer Vision and Pattern Recognition · Computer Science 2024-09-18 Edgar Heinert , Stephan Tilgner , Timo Palm , Matthias Rottmann