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Solving the optimal power flow (OPF) problem is a fundamental task to ensure the system efficiency and reliability in real-time electricity grid operations. We develop a new topology-informed graph neural network (GNN) approach for…

In recent years, Graph Neural Networks (GNNs) have been utilized for various applications ranging from drug discovery to network design and social networks. In many applications, it is impossible to observe some properties of the graph…

We present an efficient deep learning technique for the model reduction of the Navier-Stokes equations for unsteady flow problems. The proposed technique relies on the Convolutional Neural Network (CNN) and the stochastic gradient descent…

Graph neural networks (GNNs) have shown promise in learning unstructured mesh-based simulations of physical systems, including fluid dynamics. In tandem, geometric deep learning principles have informed the development of equivariant…

Reynolds-Averaged Navier-Stokes(RANS) method will still play a vital role in the following several decade in aerospace engineering. Although RANS models are widely used, empiricism and large discrepancies between models reduce the…

Graph neural networks (GNNs) have recently grown in popularity in the field of artificial intelligence (AI) due to their unique ability to ingest relatively unstructured data types as input data. Although some elements of the GNN…

A long-standing goal in deep learning has been to characterize the learning behavior of black-box models in a more interpretable manner. For graph neural networks (GNNs), considerable advances have been made in formalizing what functions…

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…

Molecular Dynamics (MD) simulation is a powerful tool for understanding the dynamics and structure of matter. Since the resolution of MD is atomic-scale, achieving long time-scale simulations with femtosecond integration is very expensive.…

Graph Neural Networks (GNNs) with numerical node features and graph structure as inputs have demonstrated superior performance on various supervised learning tasks with graph data. However the numerical node features utilized by GNNs are…

In this paper, we propose normalizing flows (NF) as a novel probability density function (PDF) turbulence model (NF-PDF model) for the Reynolds-averaged Navier-Stokes (RANS) equations. We propose to use normalizing flows in two different…

Learning continuous-time dynamics on complex networks is crucial for understanding, predicting and controlling complex systems in science and engineering. However, this task is very challenging due to the combinatorial complexities in the…

Graph neural networks, trained on experimental or calculated data are becoming an increasingly important tool in computational materials science. Networks, once trained, are able to make highly accurate predictions at a fraction of the cost…

The first provably efficient algorithm for learning graph neural networks (GNNs) with one hidden layer for node information convolution is provided in this paper. Two types of GNNs are investigated, depending on whether labels are attached…

Recently, graph neural networks (GNNs) have shown prominent performance in graph representation learning by leveraging knowledge from both graph structure and node features. However, most of them have two major limitations. First, GNNs can…

Graph neural networks (GNNs) have been widely applied to numerous fields. A recent work which combines layered structure and residual connection proposes an improved deep architecture to extend CAmouflage-REsistant GNN (CARE-GNN) to deep…

Deep learning (DL)-based Reynolds stress with its capability to leverage values of large data can be used to close Reynolds-averaged Navier-Stoke (RANS) equations. Type I and Type II machine learning (ML) frameworks are studied to…

Graph Neural Networks (GNNs) have emerged as a notorious alternative to address learning problems dealing with non-Euclidean datasets. However, although most works assume that the graph is perfectly known, the observed topology is prone to…

A realistic inflow boundary condition is essential for successful simulation of the developing turbulent boundary layer or channel flows. Recent advances in artificial intelligence (AI) have enabled the development of an inflow generator…

We develop a PyTorch-based Graph Network Simulator (GNS) that learns physics and predicts the flow behavior of particulate and fluid systems. GNS discretizes the domain with nodes representing a collection of material points and the links…