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This paper proposes a novel approach using Graph Neural Networks (GNNs) to solve the AC Power Flow problem in power grids. AC OPF is essential for minimizing generation costs while meeting the operational constraints of the grid.…
We leverage physics-embedded differentiable graph network simulators (GNS) to accelerate particulate and fluid simulations to solve forward and inverse problems. GNS represents the domain as a graph with particles as nodes and learned…
We investigate the task of missing value estimation in graphs as given by water distribution systems (WDS) based on sparse signals as a representative machine learning challenge in the domain of critical infrastructure. The underlying…
Motivated by oceanographic observational datasets, we propose a probabilistic neural network (PNN) model for calculating turbulent energy dissipation rates from vertical columns of velocity and density gradients in density stratified…
Accurate and scalable surrogate models for AC power flow are essential for real-time grid monitoring, contingency analysis, and decision support in increasingly dynamic and inverter-dominated power systems. However, most existing surrogates…
Graph-based Neural Networks (GNNs) are recent models created for learning representations of nodes (and graphs), which have achieved promising results when detecting patterns that occur in large-scale data relating different entities. Among…
To accurately study chemical reactions in the condensed phase or within enzymes, both a quantum-mechanical description and sufficient configurational sampling is required to reach converged estimates. Here, quantum mechanics/molecular…
In massive multi-input multi-output (MIMO) systems, the main bottlenecks of location- and orientation-assisted beam alignment using deep neural networks (DNNs) are large training overhead and significant performance degradation. This paper…
Reduced-order models based on physics are a popular choice in cardiovascular modeling due to their efficiency, but they may experience reduced accuracy when working with anatomies that contain numerous junctions or pathological conditions.…
Graph neural networks (GNN) have recently emerged as a vehicle for applying deep network architectures to graph and relational data. However, given the increasing size of industrial datasets, in many practical situations the message passing…
The ubiquity of fluids in the physical world explains the need to accurately simulate their dynamics for many scientific and engineering applications. Traditionally, well established but resource intensive CFD solvers provide such…
Graph neural networks (GNN) have shown outstanding applications in many fields where data is fundamentally represented as graphs (e.g., chemistry, biology, recommendation systems). In this vein, communication networks comprise many…
Job shop scheduling problems (JSSPs) represent a critical and challenging class of combinatorial optimization problems. Recent years have witnessed a rapid increase in the application of graph neural networks (GNNs) to solve JSSPs, albeit…
We introduce a novel Dynamic Graph Neural Network (DGNN) architecture for solving conditional $m$-steps ahead forecasting problems in temporal financial networks. The proposed DGNN is validated on simulated data from a temporal financial…
Floods can be very destructive causing heavy damage to life, property, and livelihoods. Global climate change and the consequent sea-level rise have increased the occurrence of extreme weather events, resulting in elevated and frequent…
Data-centric methods have shown great potential in understanding and predicting spatiotemporal dynamics, enabling better design and control of the object system. However, deep learning models often lack interpretability, fail to obey…
Recently, graph-based models designed for downstream tasks have significantly advanced research on graph neural networks (GNNs). GNN baselines based on neural message-passing mechanisms such as GCN and GAT perform worse as the network…
Understanding the dynamic processes of the glassy system continues to be challenging. Recent advances have shown the power of graph neural networks (GNNs) for determining the correlation between structure and dynamics in the glassy system.…
Physics-based simulations are often used to model and understand complex physical systems and processes in domains like fluid dynamics. Such simulations, although used frequently, have many limitations which could arise either due to the…
The optimization of structural parameters, such as mass(m), stiffness(k), and damping coefficient(c), is critical for designing efficient, resilient, and stable structures. Conventional numerical approaches, including Finite Element Method…