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Predictive thermodynamic models are crucial for the early stages of product and process design. In this paper the performance of Graph Neural Networks (GNNs) embedded into a relatively simple excess Gibbs energy model, the extended Margules…

Real-time supervisory control of advanced reactors requires accurate forecasting of plant-wide thermal-hydraulic states, including locations where physical sensors are unavailable. Meeting this need calls for surrogate models that combine…

This article presents a graph neural network (GNN) based surrogate modeling approach for fluid-acoustic shape optimization. The GNN model transforms mesh-based simulations into a computational graph, enabling global prediction of pressure…

Deep-learning-based surrogate models provide an efficient complement to numerical simulations for subsurface flow problems such as CO$_2$ geological storage. Accurately capturing the impact of faults on CO$_2$ plume migration remains a…

Graph neural network (GNN) is a promising approach to learning and predicting physical phenomena described in boundary value problems, such as partial differential equations (PDEs) with boundary conditions. However, existing models…

Accurate short-term state forecasting is essential for efficient and stable operation of modern power systems, especially in the context of increasing variability introduced by renewable and distributed energy resources. As these systems…

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…

Conventional AC Power Flow (ACPF) solvers like Newton-Raphson (NR) face significant computational and convergence challenges in modern, large-scale power systems. This paper proposes a novel, two-stage hybrid method that integrates a…

The successful integration of machine learning models into decision support tools for grid operation hinges on effectively capturing the topological changes in daily operations. Frequent grid reconfigurations and N-k security analyses have…

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…

Pressure and flow estimation in Water Distribution Networks (WDN) allows water management companies to optimize their control operations. For many years, mathematical simulation tools have been the most common approach to reconstructing an…

Forecasting electricity demand is increasingly challenging as energy systems become more decentralized and intertwined with renewable sources. Graph Neural Networks (GNNs) have recently emerged as a powerful paradigm to model spatial…

Parameter Estimation (PE) and State Estimation (SE) are the most wide-spread tasks in the system engineering. They need to be done automatically, fast and frequently, as measurements arrive. Deep Learning (DL) holds the promise of tackling…

Traditional optimization-based techniques for time-synchronized state estimation (SE) often suffer from high online computational burden, limited phasor measurement unit (PMU) coverage, and presence of non-Gaussian measurement noise.…

Computational Intelligence (CI) techniques have shown great potential as a surrogate model of expensive physics simulation, with demonstrated ability to make fast predictions, albeit at the expense of accuracy in some cases. For many…

This study develops and validates neural network frameworks with physics-based constraints for surrogate modeling of rarefied gas dynamics across different levels of complexity. As a baseline, we first examine the BGK kinetic relaxation…

Improving the training and inference performance of graph neural networks (GNNs) is faced with a challenge uncommon in general neural networks: creating mini-batches requires a lot of computation and data movement due to the exponential…

Understanding fluid phase behavior in high pressure and high temperature conditions is crucial for developing high-fidelity simulations of chemically reacting flows in liquid-fueled combustion systems. The study of vapor-liquid equilibrium…

Graph Representation Learning (GRL) can be fundamentally modeled as a physical process of seeking an energy equilibrium state for a node system on a latent manifold. However, existing Graph Neural Networks (GNNs) often suffer from…

Recently, there has been a major emphasis on developing data-driven approaches involving machine learning (ML) for high-speed static state estimation (SE) in power systems. The emphasis stems from the ability of ML to overcome difficulties…