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Graph Neural Networks (GNNs) have become a standard approach for learning from graph-structured data. However, their reliance on parametric classifiers (most often linear softmax layers) limits interpretability and sometimes hinders…

We present a novel machine learning approach for data assimilation applied in fluid mechanics, based on adjoint-optimization augmented by Graph Neural Networks (GNNs) models. We consider as baseline the Reynolds-Averaged Navier-Stokes…

This study evaluates the efficacy of two machine learning (ML) techniques, namely artificial neural networks (ANN) and gene expression programming (GEP) that use data-driven modeling to predict wall pressure spectra (WPS) underneath…

We propose a learning-based approach for approximating solution mappings of multiparametric generalized Nash equilibrium problems (GNEPs) with coupling in both objectives and constraints. Rather than solving a standard regression problem on…

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…

A largely unsolved theoretical issue in controlled fusion research is the consistent \textit{kinetic} treatment of slowly-time varying plasma states occurring in collisionless and magnetized axisymmetric plasmas. The phenomenology may…

We propose a novel benchmarking methodology for graph neural networks (GNNs) based on the graph alignment problem, a combinatorial optimization task that generalizes graph isomorphism by aligning two unlabeled graphs to maximize overlapping…

Physics-informed neural networks (PINNs) are increasingly employed to replace/augment traditional numerical methods in solving partial differential equations (PDEs). While state-of-the-art PINNs have many attractive features, they…

We propose a physics-augmented neural network (PANN) framework for finite strain incompressible viscoelasticity within the generalized standard materials theory. The formulation is based on the multiplicative decomposition of the…

In this paper, we present a new static and time-dependent MagnetoHydroDynamic (MHD) equilibrium code, TokaMaker, for axisymmetric configurations of magnetized plasmas, based on the well-known Grad-Shafranov equation. This code utilizes…

Randomized neural network (RaNN) methods have been proposed for solving various partial differential equations (PDEs), demonstrating high accuracy and efficiency. However, initializing the fixed parameters remains challenging. Additionally,…

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…

Graph Neural Networks (GNNs) have achieved impressive performance in collaborative filtering. However, GNNs tend to yield inferior performance when the distributions of training and test data are not aligned well. Also, training GNNs…

Equilibrium equations for magnetically confined, axisymmetric plasmas are derived by means of the energy-Casimir variational principle in the context of Hall magnetohydrodynamics (MHD). This approach stems from the noncanonical Hamiltonian…

Inexpensive machine learning potentials are increasingly being used to speed up structural optimization and molecular dynamics simulations of materials by iteratively predicting and applying interatomic forces. In these settings, it is…

We present a novel Asymptotic-Preserving Neural Network (APNN) approach utilizing even-odd decomposition to tackle the nonlinear gray radiative transfer equations (GRTEs). Our AP loss demonstrates consistent stability concerning the small…

We present a new fast solver to calculate fixed-boundary plasma equilibria in toroidally axisymmetric geometries. By combining conformal mapping with Fourier and integral equation methods on the unit disk, we show that high-order accuracy…

Algebraic multigrid (AMG) methods are among the most efficient solvers for linear systems of equations and they are widely used for the solution of problems stemming from the discretization of Partial Differential Equations (PDEs). The most…

Recent progress in Graph Neural Networks (GNNs) for modeling atomic simulations has the potential to revolutionize catalyst discovery, which is a key step in making progress towards the energy breakthroughs needed to combat climate change.…

Physics-based deep learning frameworks have shown to be effective in accurately modeling the dynamics of complex physical systems with generalization capability across problem inputs. However, time-independent problems pose the challenge of…