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Liquid Argon Time Projection Chamber (LArTPC) detector technology offers a wealth of high-resolution information on particle interactions, and leveraging that information to its full potential requires sophisticated automated reconstruction…

Machine learning (ML) and deep learning (DL) techniques have gained significant attention as reduced order models (ROMs) to computationally expensive structural analysis methods, such as finite element analysis (FEA). Graph neural network…

Graph Neural Networks (GNNs) have achieved state-of-the-art performance in solving graph classification tasks. However, most GNN architectures aggregate information from all nodes and edges in a graph, regardless of their relevance to the…

Graph neural networks (GNNs) have been applied to a large variety of applications in materials science and chemistry. Here, we recapitulate the graph construction for crystalline (periodic) materials and investigate its impact on the GNNs…

Graph Neural Networks (GNNs) have been widely used in various domains, and GNNs with sophisticated computational graph lead to higher latency and larger memory consumption. Optimizing the GNN computational graph suffers from: (1) Redundant…

Network performance modeling presents important challenges in modern computer networks due to increasing complexity, scale, and diverse traffic patterns. While traditional approaches like queuing theory and packet-level simulation have…

Graphs face challenges when dealing with massive datasets. They are essential tools for modeling interconnected data and often become computationally expensive. Graph embedding techniques, on the other hand, provide an efficient approach.…

Deep learning tools are being used extensively in high energy physics and are becoming central in the reconstruction of neutrino interactions in particle detectors. In this work, we report on the performance of a graph neural network in…

Graph similarity computation aims to predict a similarity score between one pair of graphs to facilitate downstream applications, such as finding the most similar chemical compounds similar to a query compound or Fewshot 3D Action…

Graph neural networks (GNNs) have recently emerged as a promising learning paradigm in learning graph-structured data and have demonstrated wide success across various domains such as recommendation systems, social networks, and electronic…

Graph neural networks (GNNs) emerge as a powerful approach to process non-euclidean data structures and have been proved powerful in various application domains such as social networks and e-commerce. While such graph data maintained in…

Graph Neural Networks (GNNs) have demonstrated remarkable performance in a wide range of tasks, such as node classification, link prediction, and graph classification, by exploiting the structural information in graph-structured data.…

Traditionally, deriving aerodynamic parameters for an airfoil via Computational Fluid Dynamics requires significant time and effort. However, recent approaches employ neural networks to replace this process, it still grapples with…

In the field of deep learning, Graph Neural Networks (GNNs) and Graph Transformer models, with their outstanding performance and flexible architectural designs, have become leading technologies for processing structured data, especially…

Graph Neural Networks (GNNs) have shown remarkable success in learning from graph-structured data. However, their application to directed graphs (digraphs) presents unique challenges, primarily due to the inherent asymmetry in node…

Large-scale graph training is a notoriously challenging problem for graph neural networks (GNNs). Due to the nature of evolving graph structures into the training process, vanilla GNNs usually fail to scale up, limited by the GPU memory…

We investigate the enhancement of graph neural networks' (GNNs) representation power through their ability in substructure counting. Recent advances have seen the adoption of subgraph GNNs, which partition an input graph into numerous…

Classifying research output into context-specific label taxonomies is a challenging and relevant downstream task, given the volume of existing and newly published articles. We propose a method to enhance the performance of article…

Modern microelectronic devices are composed of interfaces between a large number of materials, many of which are in amorphous or polycrystalline phases. Modeling such non-crystalline materials using first-principles methods such as density…

The Large Hadron Collider (LHC) at the European Organisation for Nuclear Research (CERN) will be upgraded to further increase the instantaneous rate of particle collisions (luminosity) and become the High Luminosity LHC. This increase in…