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Large-scale wave field reconstruction requires precise solutions but faces challenges with computational efficiency and accuracy. The physics-based numerical methods like Finite Element Method (FEM) provide high accuracy but struggle with…

Machine Learning · Computer Science 2026-03-04 Huiwen Zhang , Feng Ye , Chu Ma

We present a Physics-Informed Neural Network (PINN) to simulate the thermochemical evolution of a composite material on a tool undergoing cure in an autoclave. In particular, we solve the governing coupled system of differential equations…

Machine Learning · Computer Science 2021-06-16 Sina Amini Niaki , Ehsan Haghighat , Trevor Campbell , Anoush Poursartip , Reza Vaziri

Machine Learning (ML)-based force fields are attracting ever-increasing interest due to their capacity to span spatiotemporal scales of classical interatomic potentials at quantum-level accuracy. They can be trained based on high-fidelity…

Chemical Physics · Physics 2024-06-03 Sebastien Röcken , Julija Zavadlav

Data-driven, machine learning (ML) models of atomistic interactions are often based on flexible and non-physical functions that can relate nuanced aspects of atomic arrangements into predictions of energies and forces. As a result, these…

Materials Science · Physics 2024-05-15 Bartosz Barzdajn , Christopher P. Race

We discuss nonlinear model predictive control (NMPC) for multi-body dynamics via physics-informed machine learning methods. Physics-informed neural networks (PINNs) are a promising tool to approximate (partial) differential equations. PINNs…

Optimization and Control · Mathematics 2021-09-23 Jonas Nicodemus , Jonas Kneifl , Jörg Fehr , Benjamin Unger

Molecular dynamics simulations have emerged as a potent tool for investigating the physical properties and kinetic behaviors of materials at the atomic scale, particularly in extreme conditions. Ab initio accuracy is now achievable with…

This article introduces Perception-Informed Neural Networks (PrINNs), a framework designed to incorporate perception-based information into neural networks, addressing both systems with known and unknown physics laws or differential…

Machine Learning · Computer Science 2025-05-27 Mehran Mazandarani , Marzieh Najariyan

The integration of Scientific Machine Learning (SciML) techniques with uncertainty quantification (UQ) represents a rapidly evolving frontier in computational science. This work advances Physics-Informed Neural Networks (PINNs) by…

Machine Learning · Statistics 2025-12-30 Georgios Arampatzis , Stylianos Katsarakis , Charalambos Makridakis

We employ physics-informed neural networks (PINNs) to infer properties of biological materials using synthetic data. In particular, we successfully apply PINNs on inferring the thrombus permeability and visco-elastic modulus from thrombus…

Computational Physics · Physics 2021-01-22 Minglang Yin , Xiaoning Zheng , Jay D. Humphrey , George Em Karniadakis

Machine-learned interatomic potentials are revolutionising atomistic materials simulations by providing accurate and scalable predictions within the scope covered by the training data. However, generation of an accurate and robust training…

Materials Science · Physics 2025-07-30 Mariia Radova , Wojciech G. Stark , Connor S. Allen , Reinhard J. Maurer , Albert P. Bartók

Machine learning interatomic potentials (MLIPs) provide a computationally efficient alternative to quantum mechanical simulations for predicting material properties. Message-passing graph neural networks, commonly used in these MLIPs, rely…

Chemical Physics · Physics 2025-09-08 Moin Uddin Maruf , Sungmin Kim , Zeeshan Ahmad

This paper presents a new approach to simulate forward and inverse problems of moving loads using physics-informed machine learning (PIML). Physics-informed neural networks (PINNs) utilize the underlying physics of moving load problems and…

Machine Learning · Computer Science 2023-04-04 Taniya Kapoor , Hongrui Wang , Alfredo Núñez , Rolf Dollevoet

Non-equilibrium chemistry is a key process in the study of the InterStellar Medium (ISM), in particular the formation of molecular clouds and thus stars. However, computationally it is among the most difficult tasks to include in…

Astrophysics of Galaxies · Physics 2022-12-07 Lorenzo Branca , Andrea Pallottini

Physics-informed neural networks (PINNs) have emerged as a promising approach to solving partial differential equations (PDEs) using neural networks, particularly in data-scarce scenarios, due to their unsupervised training capability.…

Machine Learning · Computer Science 2025-03-25 Edgar Torres , Jonathan Schiefer , Mathias Niepert

Physics-Informed Neural Networks (PINN) are a machine learning tool that can be used to solve direct and inverse problems related to models described by Partial Differential Equations. This paper proposes an adaptive inverse PINN applied to…

Numerical Analysis · Mathematics 2024-11-28 Marco Berardi , Fabio Difonzo , Matteo Icardi

The present work investigates the use of physics-informed neural networks (PINNs) for the 3D reconstruction of unsteady gravity currents from limited data. In the PINN context, the flow fields are reconstructed by training a neural network…

Fluid Dynamics · Physics 2023-06-16 Mickaël Delcey , Yoann Cheny , Sébastien Kiesgen de Richter

We use HIP-NN, a neural network architecture that excels at predicting molecular energies, to predict atomic charges. The charge predictions are accurate over a wide range of molecules (both small and large) and for a diverse set of charge…

Prediction of pair potential given a typical configuration of an interacting classical system is a difficult inverse problem. There exists no exact result that can predict the potential given the structural information. We demonstrate that…

Soft Condensed Matter · Physics 2020-12-25 Saientan Bag , Rituparno Mandal

Parameter estimation remains a challenging task across many areas of engineering. Because data acquisition can often be costly, limited, or prone to inaccuracies (noise, uncertainty) it is crucial to identify sensor configurations that…

Machine Learning · Statistics 2025-11-20 Georgios Venianakis , Constantinos Theodoropoulos , Michail Kavousanakis

Physics-based models play a key role in battery management, yet face challenges in real-time applications due to the high computational cost of solving coupled algebraic-partial differential equations. To accelerate model simulation, this…

Applied Physics · Physics 2026-01-06 Yi Zhuang , Yusheng Zheng , Yunhong Che , Remus Teodorescu