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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…

Graph Neural Networks (GNNs) are powerful and flexible neural networks that use the naturally sparse connectivity information of the data. GNNs represent this connectivity as sparse matrices, which have lower arithmetic intensity and thus…

In recent years, graph neural networks (GNNs) have gained increasing popularity and have shown very promising results for data that are represented by graphs. The majority of GNN architectures are designed based on developing new…

Parameter-Efficient Fine-Tuning (PEFT) method has emerged as a dominant paradigm for adapting pre-trained GNN models to downstream tasks. However, existing PEFT methods usually exhibit significant vulnerability to various noise and attacks…

Graph Neural Networks (GNNs) have emerged as a powerful technique for learning on relational data. Owing to the relatively limited number of message passing steps they perform -- and hence a smaller receptive field -- there has been…

Graph neural networks (GNN) has been successfully applied to operate on the graph-structured data. Given a specific scenario, rich human expertise and tremendous laborious trials are usually required to identify a suitable GNN architecture.…

Explainable Graph Neural Network (GNN) has emerged recently to foster the trust of using GNNs. Existing GNN explainers are developed from various perspectives to enhance the explanation performance. We take the first step to study GNN…

As an emerging artificial intelligence technology, graph neural networks (GNNs) have exhibited promising performance across a wide range of graph-related applications. However, information exchanges among neighbor nodes in GNN pose new…

Graph neural networks (GNNs) are widely applied in graph data modeling. However, existing GNNs are often trained in a task-driven manner that fails to fully capture the intrinsic nature of the graph structure, resulting in sub-optimal node…

The robustness of the much-used Graph Convolutional Networks (GCNs) to perturbations of their input is becoming a topic of increasing importance. In this paper, the random GCN is introduced for which a random matrix theory analysis is…

Message-passing Graph Neural Networks (GNNs) are often criticized for their limited expressiveness, issues like over-smoothing and over-squashing, and challenges in capturing long-range dependencies. Conversely, Graph Transformers (GTs) are…

Graph data, such as chemical networks and social networks, may be deemed confidential/private because the data owner often spends lots of resources collecting the data or the data contains sensitive information, e.g., social relationships.…

Unsupervised/self-supervised graph neural networks (GNN) are vulnerable to inherent randomness in the input graph data which greatly affects the performance of the model in downstream tasks. In this paper, we alleviate the interference of…

Graph Neural Networks (GNNs) have demonstrated remarkable proficiency in modeling data with graph structures, yet recent research reveals their susceptibility to adversarial attacks. Traditional attack methodologies, which rely on…

The celebrated message-passing updates for graph neural networks allow representing large-scale graphs with local and computationally tractable updates. However, the updates suffer from backtracking, i.e., a message flowing through the same…

Although powerful graph neural networks (GNNs) have boosted numerous real-world applications, the potential privacy risk is still underexplored. To close this gap, we perform the first comprehensive study of graph reconstruction attack that…

Graph neural networks (GNNs) have drawn increasing attention in recent years and achieved remarkable performance in many graph-based tasks, especially in semi-supervised learning on graphs. However, most existing GNNs are based on the…

Graph Neural Networks (GNNs) are a promising deep learning approach for circumventing many real-world problems on graph-structured data. However, these models usually have at least one of four fundamental limitations: over-smoothing,…

Despite the recent success of graph neural networks (GNN), common architectures often exhibit significant limitations, including sensitivity to oversmoothing, long-range dependencies, and spurious edges, e.g., as can occur as a result of…

Improving the resilience of a network is a fundamental problem in network science, which protects the underlying system from natural disasters and malicious attacks. This is traditionally achieved via successive degree-preserving edge…