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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…

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…

软件工程 · 计算机科学 2023-02-10 Xin-Cheng Wen , Yupan Chen , Cuiyun Gao , Hongyu Zhang , Jie M. Zhang , Qing Liao

Many real-world data comes in the form of graphs, such as social networks and protein structure. To fully utilize the information contained in graph data, a new family of machine learning (ML) models, namely graph neural networks (GNNs),…

密码学与安全 · 计算机科学 2021-02-11 Xinlei He , Rui Wen , Yixin Wu , Michael Backes , Yun Shen , Yang Zhang

The rapid integration of Large Language Models (LLMs) into Multi-Agent Systems (MAS) has significantly enhanced their collaborative problem-solving capabilities, but it has also expanded their attack surfaces, exposing them to…

密码学与安全 · 计算机科学 2026-04-29 Pablo Mateo-Torrejón , Alfonso Sánchez-Macián

Graph Neural Networks (GNNs), a generalization of neural networks to graph-structured data, are often implemented using message passes between entities of a graph. While GNNs are effective for node classification, link prediction and graph…

机器学习 · 统计学 2020-10-01 Uday Shankar Shanthamallu , Jayaraman J. Thiagarajan , Andreas Spanias

Graph Neural Networks (GNNs) have become essential tools for analyzing graph-structured data in domains such as drug discovery and financial analysis, leading to growing demands for model transparency. Recent advances in explainable GNNs…

机器学习 · 计算机科学 2025-06-04 Bin Ma , Yuyuan Feng , Minhua Lin , Enyan Dai

This paper explores the detection and localization of cyber-attacks on time-series measurements data in power systems, focusing on comparing conventional machine learning (ML) like k-means, deep learning method like autoencoder, and graph…

系统与控制 · 电气工程与系统科学 2024-11-05 Tianzhixi Yin , Syed Ahsan Raza Naqvi , Sai Pushpak Nandanoori , Soumya Kundu

Machine learning (ML) on graph-structured data has recently received deepened interest in the context of intrusion detection in the cybersecurity domain. Due to the increasing amounts of data generated by monitoring tools as well as more…

密码学与安全 · 计算机科学 2023-08-25 Anna Himmelhuber , Dominik Dold , Stephan Grimm , Sonja Zillner , Thomas Runkler

Graph Neural Networks (GNNs) have been shown to possess strong representation abilities over graph data. However, GNNs are vulnerable to adversarial attacks, and even minor perturbations to the graph structure can significantly degrade…

机器学习 · 计算机科学 2023-09-20 Abdullah Alchihabi , Qing En , Yuhong Guo

This paper presents a novel approach to neural network pruning by integrating a graph-based observation space into an AutoML framework to address the limitations of existing methods. Traditional pruning approaches often depend on…

机器学习 · 计算机科学 2025-09-16 Dieter Balemans , Thomas Huybrechts , Jan Steckel , Siegfried Mercelis

The last decades have seen a growth in the number of cyber-attacks with severe economic and privacy damages, which reveals the need for network intrusion detection approaches to assist in preventing cyber-attacks and reducing their risks.…

密码学与安全 · 计算机科学 2023-10-11 Hamdi Friji , Alexis Olivereau , Mireille Sarkiss

Large Language Models (LLMs) have advanced Graph Neural Networks (GNNs) by enriching node representations with semantic features, giving rise to LLM-enhanced GNNs that achieve notable performance gains. However, the robustness of these…

机器学习 · 计算机科学 2026-03-30 Yuhang Ma , Jie Wang , Zheng Yan

Graph Neural Networks (GNNs) excel across various applications but remain vulnerable to adversarial attacks, particularly Graph Injection Attacks (GIAs), which inject malicious nodes into the original graph and pose realistic threats.…

机器学习 · 计算机科学 2024-11-04 Runlin Lei , Yuwei Hu , Yuchen Ren , Zhewei Wei

Graph Neural Networks (GNNs) are increasingly important given their popularity and the diversity of applications. Yet, existing studies of their vulnerability to adversarial attacks rely on relatively small graphs. We address this gap and…

Node-level graph anomaly detection (GAD) plays a critical role in identifying anomalous nodes from graph-structured data in various domains such as medicine, social networks, and e-commerce. However, challenges have arisen due to the…

机器学习 · 计算机科学 2023-11-29 Junjun Pan , Yixin Liu , Yizhen Zheng , Shirui Pan

Graph Neural Networks (GNNs) have achieved promising performance in various real-world applications. Building a powerful GNN model is not a trivial task, as it requires a large amount of training data, powerful computing resources, and…

机器学习 · 计算机科学 2022-11-15 Jing Xu , Stefanos Koffas , Oguzhan Ersoy , Stjepan Picek

Graph neural networks (GNNs) demonstrate great performance in compound property and activity prediction due to their capability to efficiently learn complex molecular graph structures. However, two main limitations persist including…

生物大分子 · 定量生物学 2023-10-10 Apakorn Kengkanna , Masahito Ohue

Machine learning (ML) methods have drawn significant interest in material design and discovery. Graph neural networks (GNNs), in particular, have demonstrated strong potential for predicting material properties. The present study proposes a…

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…

密码学与安全 · 计算机科学 2022-10-07 Lichao Sun , Yingtong Dou , Carl Yang , Ji Wang , Yixin Liu , Philip S. Yu , Lifang He , Bo Li

Advanced Persistent Threat (APT) have grown increasingly complex and concealed, posing formidable challenges to existing Intrusion Detection Systems in identifying and mitigating these attacks. Recent studies have incorporated graph…

密码学与安全 · 计算机科学 2025-09-18 Wenhan Jiang , Tingting Chai , Hongri Liu , Kai Wang , Hongke Zhang