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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…
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),…
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…
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…
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…
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…
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…
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…
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…
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.…
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…
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.…
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…
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…
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…
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…
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…