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Over the past decade, Graph Neural Networks (GNNs) have achieved great success on machine learning tasks with relational data. However, recent studies have found that heterophily can cause significant performance degradation of GNNs,…
Graph Neural Networks (GNNs) combine node attributes over a fixed granularity of the local graph structure around a node to predict its label. However, different nodes may relate to a node-level property with a different granularity of its…
Graph Neural Networks (GNNs) are widely used and deployed for graph-based prediction tasks. However, as good as GNNs are for learning graph data, they also come with the risk of privacy leakage. For instance, an attacker can run carefully…
There has been a recent surge of interest in using machine learning to approximate density functional theory (DFT) in materials science. However, many of the most performant models are evaluated on large databases of computed properties of,…
Graph Neural Networks (GNNs) have emerged as powerful representation learning tools for capturing complex dependencies within diverse graph-structured data. Despite their success in a wide range of graph mining tasks, GNNs have raised…
Graph Neural Networks (GNNs) and their message passing framework that leverages both structural and feature information, have become a standard method for solving graph-based machine learning problems. However, these approaches still…
Potentially Hazardous Asteroids (PHAs), a special subset of Near-Earth Objects, are both dangerous and scientifically valuable. PHAs that truly undergo close approaches with the Earth (dubbed CAPHAs) are of particular interest and…
The success of graph neural networks stimulates the prosperity of graph mining and the corresponding downstream tasks including graph anomaly detection (GAD). However, it has been explored that those graph mining methods are vulnerable to…
Cyber Threat hunting is a proactive search for known attack behaviors in the organizational information system. It is an important component to mitigate advanced persistent threats (APTs). However, the attack behaviors recorded in…
Safety is a critical concern for the next generation of autonomy that is likely to rely heavily on deep neural networks for perception and control. Formally verifying the safety and robustness of well-trained DNNs and learning-enabled…
Graph neural networks (GNNs) have attracted significant attention for their outstanding performance in graph learning and node classification tasks. However, their vulnerability to adversarial attacks, particularly through susceptible…
How can we estimate the importance of nodes in a knowledge graph (KG)? A KG is a multi-relational graph that has proven valuable for many tasks including question answering and semantic search. In this paper, we present GENI, a method for…
In this work, we propose a methodology for investigating the use of semantic attention to enhance the explainability of Graph Neural Network (GNN)-based models. Graph Deep Learning (GDL) has emerged as a promising field for tasks like scene…
Managing the threat posed by malware requires accurate detection and classification techniques. Traditional detection strategies, such as signature scanning, rely on manual analysis of malware to extract relevant features, which is labor…
We train deep learning models on thousands of galaxy catalogues from the state-of-the-art hydrodynamic simulations of the CAMELS project to perform regression and inference. We employ Graph Neural Networks (GNNs), architectures designed to…
Graph Neural Networks (GNNs) have proven to be powerful in many graph-based applications. However, they fail to generalize well under heterophilic setups, where neighbor nodes have different labels. To address this challenge, we employ a…
Deep neural networks (DNNs) have achieved significant performance in various tasks. However, recent studies have shown that DNNs can be easily fooled by small perturbation on the input, called adversarial attacks. As the extensions of DNNs…
Graph neural networks (GNNs) are widely used as surrogates for costly experiments and first-principles simulations to study the behavior of compounds at atomistic scale, and their architectural complexity is constantly increasing to enable…
The first provably efficient algorithm for learning graph neural networks (GNNs) with one hidden layer for node information convolution is provided in this paper. Two types of GNNs are investigated, depending on whether labels are attached…
Graph Neural Networks (GNNs) excel at relational reasoning but face two persistent challenges: the lack of interpretable attribution for heterogeneous node types, and the computational overhead of message passing over large, noisy graphs.…