Related papers: What Makes Graph Neural Networks Miscalibrated?

Graphs are fundamental data structures for modeling complex interactions in domains such as social networks, molecular structures, and biological systems. Graph-level tasks, which involve predicting properties or labels for entire graphs,…

Graph Neural Networks (GNNs) have achieved notable success in learning from graph-structured data, owing to their ability to capture intricate dependencies and relationships between nodes. They excel in various applications, including…

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) have been widely applied to various fields due to their powerful representations of graph-structured data. Despite the success of GNNs, most existing GNNs are designed to learn node representations on the fixed…

Graph Neural Networks (GNNs) show promising results for graph tasks. However, existing GNNs' generalization ability will degrade when there exist distribution shifts between testing and training graph data. The cardinal impetus underlying…

Research interests in the robustness of deep neural networks against domain shifts have been rapidly increasing in recent years. Most existing works, however, focus on improving the accuracy of the model, not the calibration performance…

In recent years, there has been an increasing interest in the use of graph neural networks (GNNs) for analyzing dynamic graphs, which are graphs that evolve over time. However, there is still a lack of understanding of how different…

For automotive applications, the Graph Attention Network (GAT) is a prominently used architecture to include relational information of a traffic scenario during feature embedding. As shown in this work, however, one of the most popular GAT…

Graph neural networks (GNNs) have been widely investigated in the field of semi-supervised graph machine learning. Most methods fail to exploit adequate graph information when labeled data is limited, leading to the problem of…

Graph Neural Networks (GNNs) have shown satisfying performance in various graph analytical problems. Hence, they have become the \emph{de facto} solution in a variety of decision-making scenarios. However, GNNs could yield biased results…

Graph neural networks (GNNs) are powerful tools for learning from graph data and are widely used in various applications such as social network recommendation, fraud detection, and graph search. The graphs in these applications are…

Graph Anomaly Detection (GAD) is critical in security-sensitive domains, yet faces reliability challenges: miscalibrated confidence estimation (underconfidence in normal nodes, overconfidence in anomalies), adversarial vulnerability of…

Graph Neural Networks (GNNs) are state-of-the-art models for performing prediction tasks on graphs. While existing GNNs have shown great performance on various tasks related to graphs, little attention has been paid to the scenario where…

In this paper, we design Graph Neural Networks (GNNs) with attention mechanisms to tackle an important yet challenging nonlinear regression problem: massive network localization. We first review our previous network localization method…

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…

Graph neural networks (GNNs) are powerful graph-based deep-learning models that have gained significant attention and demonstrated remarkable performance in various domains, including natural language processing, drug discovery, and…

Graph neural networks (GNNs) have exhibited state-of-the-art performance across wide-range of domains such as recommender systems, material design, and drug repurposing. Yet message-passing GNNs suffer from over-squashing -- exponential…

Graph neural networks (GNNs) have demonstrated their effectiveness in various tasks supported by their generalization capabilities. However, the current analysis of GNN generalization relies on the assumption that training and testing data…

The task of link prediction aims to solve the problem of incomplete knowledge caused by the difficulty of collecting facts from the real world. GCNs-based models are widely applied to solve link prediction problems due to their…

Interpretable graph learning is in need as many scientific applications depend on learning models to collect insights from graph-structured data. Previous works mostly focused on using post-hoc approaches to interpret pre-trained models…