Related papers: Inverting the Kohn-Sham equations with physics-inf…

We present a novel approach to modeling the ground state mass of atomic nuclei based directly on a probabilistic neural network constrained by relevant physics. Our Physically Interpretable Machine Learning (PIML) approach incorporates…

Physics-Informed Neural Networks (PINNs) have emerged as an influential technology, merging the swift and automated capabilities of machine learning with the precision and dependability of simulations grounded in theoretical physics. PINNs…

In this study, Physics-Informed Neural Networks (PINNs) are skilfully applied to explore a diverse range of pulsar magneto-spheric models, specifically focusing on axisymmetric cases. The study successfully reproduced various axisymmetric…

There is growing interest in using machine learning (ML) methods for structural metamodeling due to the substantial computational cost of traditional simulations. Purely data-driven strategies often face limitations in model robustness,…

We propose a way to improve energy density functionals (EDFs) in the density functional theory based on the combination of the inverse Kohn--Sham method and the density functional perturbation theory. Difference between the known EDF and…

For Prognostics and Health Management (PHM) of Lithium-ion (Li-ion) batteries, many models have been established to characterize their degradation process. The existing empirical or physical models can reveal important information regarding…

Seismic inversion-including post-stack, pre-stack, and full waveform inversion is compute and memory-intensive. Recently, several approaches, including physics-informed machine learning, have been developed to address some of these…

Physics-informed neural networks (PINNs) represent a significant advancement in scientific machine learning by integrating fundamental physical laws into their architecture through loss functions. PINNs have been successfully applied to…

Density Functional Theory (DFT) is a pivotal method within quantum chemistry and materials science, with its core involving the construction and solution of the Kohn-Sham Hamiltonian. Despite its importance, the application of DFT is…

Solving inverse problems in dynamical systems governed by high-dimensional coupled ordinary differential equations (ODEs) is a ubiquitous challenge in scientific machine learning. In many real-world applications, researchers seek to uncover…

In many computational problems in engineering and science, function or model differentiation is essential, but also integration is needed. An important class of computational problems include so-called integro-differential equations which…

A complete solution to the inverse problem of Kohn-Sham (KS) density functional theory is proposed. Our method consists of two steps. First, the effective KS potential is determined from the ground state density of a given system. Then, the…

In recent years, deep learning-based methods have been proposed for solving inverse scattering problems (ISPs), but most of them heavily rely on data and suffer from limited generalization capabilities. In this paper, a new solving scheme…

A novel, learning-based method for in situ estimation of soil properties using a physics-infused neural network (PINN) is presented. The network is trained to produce estimates of soil cohesion, angle of internal friction, soil-tool…

Inverse problems arise almost everywhere in science and engineering where we need to infer on a quantity from indirect observation. The cases of medical, biomedical, and industrial imaging systems are the typical examples. A very high…

Electrical Impedance Tomography (EIT) is a promising noninvasive imaging technique that reconstructs the spatial conductivity distribution from boundary voltage measurements. However, it poses a highly nonlinear and ill-posed inverse…

In this work, we propose the Residual-Weighted Physics-Informed Neural Network (RW-PINN), a new method designed to enhance the accuracy of Physics-Informed Neural Network (PINN) based algorithms. We construct a deep learning framework with…

Quantifying and propagating modeling uncertainties is crucial for reliability analysis, robust optimization, and other model-based algorithmic processes in engineering design and control. Now, physics-informed machine learning (PIML)…

The inversion of DC resistivity data is a widely employed method for near-surface characterization. Recently, deep learning-based inversion techniques have garnered significant attention due to their capability to elucidate intricate…

We introduce a practical hybrid approach that combines orbital-free density functional theory (DFT) with Kohn-Sham DFT for speeding up first-principles molecular dynamics simulations. Equilibrated ionic configurations are generated using…