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Equivariant Graph Neural Networks (eGNNs) trained on density-functional theory (DFT) data can potentially perform electronic structure prediction at unprecedented scales, enabling investigation of the electronic properties of materials with…

Graph neural networks (GNNs) have demonstrated success in modeling relational data, especially for data that exhibits homophily: when a connection between nodes tends to imply that they belong to the same class. However, while this…

This study follows many classical approaches to multi-object tracking (MOT) that model the problem using dynamic graphical data structures, and adapts this formulation to make it amenable to modern neural networks. Our main contributions in…

In this work, we present a study on ways that tracking algorithms can be improved with machine learning (ML). We base this study on the line segment tracking (LST) algorithm that we have designed to be naturally parallelized and vectorized…

Graph Neural Networks (GNNs) show strong promise for circuit analysis, but scaling to modern large-scale circuit graphs is limited by GPU memory and training cost, especially for deep models. We revisit deep GNNs for circuit graphs and show…

Graph Neural Networks (GNNs) are a powerful representational tool for solving problems on graph-structured inputs. In almost all cases so far, however, they have been applied to directly recovering a final solution from raw inputs, without…

Graph neural networks (GNNs) are among the most powerful tools in deep learning. They routinely solve complex problems on unstructured networks, such as node classification, graph classification, or link prediction, with high accuracy.…

In-time particle trajectory reconstruction in the Large Hadron Collider is challenging due to the high collision rate and numerous particle hits. Using GNN (Graph Neural Network) on FPGA has enabled superior accuracy with flexible…

This work proposes a Physics-informed Neural Network framework with Graph Embedding (GPINN) to perform PINN in graph, i.e. topological space instead of traditional Euclidean space, for improved problem-solving efficiency. The method…

The increasing penetration of renewable energy sources introduces significant variability and uncertainty in modern power systems, making accurate state prediction critical for reliable grid operation. Conventional forecasting methods often…

Subgraph isomorphism counting is an important problem on graphs, as many graph-based tasks exploit recurring subgraph patterns. Classical methods usually boil down to a backtracking framework that needs to navigate a huge search space with…

Characterizing and understanding graph neural networks (GNNs) is essential for identifying performance bottlenecks and facilitating their deployment in parallel and distributed systems. Despite substantial work in this area, a comprehensive…

Effectively predicting molecular interactions has the potential to accelerate molecular dynamics by multiple orders of magnitude and thus revolutionize chemical simulations. Graph neural networks (GNNs) have recently shown great successes…

Machine learning (ML) has been increasingly applied in concrete research to optimize performance and mixture design. However, one major challenge in applying ML to cementitious materials is the limited size and diversity of available…

Graph Neural Networks (GNNs) have significant advantages in handling non-Euclidean data and have been widely applied across various areas, thus receiving increasing attention in recent years. The framework of GNN models mainly includes 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,…

Network modeling is a fundamental tool in network research, design, and operation. Arguably the most popular method for modeling is Queuing Theory (QT). Its main limitation is that it imposes strong assumptions on the packet arrival…

Relational data present in real world graph representations demands for tools capable to study it accurately. In this regard Graph Neural Network (GNN) is a powerful tool, wherein various models for it have also been developed over the past…

GraphNeT is an open-source python framework aimed at providing high quality, user friendly, end-to-end functionality to perform reconstruction tasks at neutrino telescopes using graph neural networks (GNNs). GraphNeT makes it fast and easy…

Recent works have demonstrated the potential of Graph Neural Networks (GNN) for network intrusion detection. Despite their advantages, a significant gap persists between real-world scenarios, where detection speed is critical, and existing…