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Graph Neural Networks (GNNs) have emerged as powerful tools for learning over graph-structured data, yet recent studies have shown that their performance gains are beginning to plateau. In many cases, well-established models such as GCN and…

Recent works demonstrate that early layers in a neural network contain useful information for prediction. Inspired by this, we show that extending temperature scaling across all layers improves both calibration and accuracy. We call this…

In this paper, we study the post-hoc calibration of modern neural networks, a problem that has drawn a lot of attention in recent years. Many calibration methods of varying complexity have been proposed for the task, but there is no…

Graph Neural Networks (GNNs) are powerful tools for learning from graph-structured data, but their scalability is increasingly strained by the size of real-world graphs in domains like recommender systems, fraud detection, and molecular…

Graph Neural Networks (GNNs) have emerged as powerful tools for various graph mining tasks, yet existing scalable solutions often struggle to balance execution efficiency with prediction accuracy. These difficulties stem from iterative…

Graph Neural Networks (GNNs) have shown remarkable merit in performing various learning-based tasks in complex networks. The superior performance of GNNs often correlates with the availability and quality of node-level features in the input…

Node classifiers are required to comprehensively reduce prediction errors, training resources, and inference latency in the industry. However, most graph neural networks (GNN) concentrate only on one or two of them. The compromised aspects…

\Graph similarity computation is an essential task in many real-world graph-related applications such as retrieving the similar drugs given a query chemical compound or finding the user's potential friends from the social network database.…

Graph Neural Networks (GNNs) are powerful deep learning models to generate node embeddings on graphs. When applying deep GNNs on large graphs, it is still challenging to perform training in an efficient and scalable way. We propose a novel…

In this research, we developed a graph-based framework to represent various aspects of optimal thermal management system design, with the aim of rapidly and efficiently identifying optimal design candidates. Initially, the graph-based…

Network modeling is a critical component for building self-driving Software-Defined Networks, particularly to find optimal routing schemes that meet the goals set by administrators. However, existing modeling techniques do not meet the…

Graph Neural Networks (GNNs) have experienced rapid advancements in recent years due to their ability to learn meaningful representations from graph data structures. However, in most real-world settings, such as financial transaction…

Graph neural networks (GNNs) have been widely applied in safety-critical applications, such as financial and medical networks, in which compromised predictions may cause catastrophic consequences. While existing research on GNN robustness…

We consider the graph similarity computation (GSC) task based on graph edit distance (GED) estimation. State-of-the-art methods treat GSC as a learning-based prediction task using Graph Neural Networks (GNNs). To capture fine-grained…

Graph Neural Networks (GNNs) have made significant advances on several fundamental inference tasks. As a result, there is a surge of interest in using these models for making potentially important decisions in high-regret applications.…

Graph Neural Networks (GNNs) have demonstrated impressive performance across diverse graph-based tasks by leveraging message passing to capture complex node relationships. However, on large-scale real-world graphs, GNNs face two major…

Matrix completion is a classic problem underlying recommender systems. It is traditionally tackled with matrix factorization. Recently, deep learning based methods, especially graph neural networks, have made impressive progress on this…

Graph Neural Networks (GNNs) are playing an increasingly important role in the efficient operation and security of computing systems, with applications in workload scheduling, anomaly detection, and resource management. However, their…

Neural network calibration is an essential task in deep learning to ensure consistency between the confidence of model prediction and the true correctness likelihood. In this paper, we propose a new post-processing calibration method called…

Climate change is increasing the occurrence of extreme precipitation events, threatening infrastructure, agriculture, and public safety. Ensemble prediction systems provide probabilistic forecasts but exhibit biases and difficulties in…