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Artificial neural networks (NNs) are one of the most frequently used machine learning approaches to construct interatomic potentials and enable efficient large-scale atomistic simulations with almost ab initio accuracy. However, the…

Computational Physics · Physics 2021-10-05 Viktor Zaverkin , David Holzmüller , Ingo Steinwart , Johannes Kästner

A physics-informed neural network (PINN) is developed, for the first time, to learn the time-dependent quasi-static magnetohydrodynamic (MHD) equations in axisymmetric tokamak geometry, without any experimental or synthetic data. The…

Plasma Physics · Physics 2026-04-23 Jonathan S. Arnaud , Christopher J. McDevitt , Golo Wimmer , Xian-Zhu Tang

In recent years, scientific machine learning, particularly physic-informed neural networks (PINNs), has introduced new innovative methods to understanding the differential equations that describe power system dynamics, providing a more…

Systems and Control · Electrical Eng. & Systems 2024-03-12 Huynh T. T. Tran , Hieu T. Nguyen

Nuclear coherent population transfer (NCPT) offers numerous potential applications, particularly in next-generation nuclear clocks and nuclear batteries. However, the realization of high fidelity, fast operation, and low energy consumption…

Nuclear Theory · Physics 2026-03-25 Jing Liu , Fu-Quan Dou

Interatomic potentials learned using machine learning methods have been successfully applied to atomistic simulations. However, accurate models require large training datasets, while generating reference calculations is computationally…

Machine Learning · Computer Science 2024-01-23 John Falk , Luigi Bonati , Pietro Novelli , Michele Parrinello , Massimiliano Pontil

We provide an approach enabling one to employ physics-informed neural networks (PINNs) for uncertainty quantification. Our approach is applicable to systems where observations are scarce (or even lacking), these being typical situations…

Data Analysis, Statistics and Probability · Physics 2024-08-12 Milad Panahi , Giovanni Michele Porta , Monica Riva , Alberto Guadagnini

The length and time scales of atomistic simulations are limited by the computational cost of the methods used to predict material properties. In recent years there has been great progress in the use of machine learning algorithms to develop…

Computational Physics · Physics 2022-11-03 Alberto Hernandez , Adarsh Balasubramanian , Fenglin Yuan , Simon Mason , Tim Mueller

Physics-informed neural networks (PINNs) is an emerging category of neural networks which can be trained to solve supervised learning tasks while taking into consideration given laws of physics described by general nonlinear partial…

Cryptography and Security · Computer Science 2026-04-07 Solon Falas , Charalambos Konstantinou , Maria K. Michael

In aerospace applications, multiple safety regulations were introduced to address associated with pyrolysis. Predictive modeling of pyrolysis is a challenging task since multiple thermo-chemo-mechanical laws need to be concurrently solved…

Soft Condensed Matter · Physics 2022-09-26 Aref Ghaderi , Ramin Akbari , Yang Chen , Roozbeh Dargazany

Physics-Informed Neural Networks (PINNs) solve physical systems by incorporating governing partial differential equations directly into neural network training. In electromagnetism, where well-established methodologies such as FDTD and FEM…

Computational Physics · Physics 2026-02-13 Nilufer K. Bulut

Interatomic potential models based on machine learning (ML) are rapidly developing as tools for materials simulations. However, because of their flexibility, they require large fitting databases that are normally created with substantial…

Materials Science · Physics 2019-11-19 Noam Bernstein , Gábor Csányi , Volker L. Deringer

This paper proposes a Curriculum-Transfer-Learning based physics-informed neural network (CTL-PINN) for long-term simulation of physical and mechanical behaviors. The main innovation of CTL-PINN lies in decomposing long-term problems into a…

Machine Learning · Computer Science 2025-02-12 Yuan Guo , Zhuojia Fu , Jian Min , Shiyu Lin , Xiaoting Liu , Youssef F. Rashed , Xiaoying Zhuang

Machine learning interatomic potentials (MLIPs) have substantially advanced atomistic simulations in materials science and chemistry by balancing accuracy and computational efficiency. While leading MLIPs rely on representing atomic…

Materials Science · Physics 2025-05-05 Mingjian Wen , Wei-Fan Huang , Jin Dai , Santosh Adhikari

Machine learning (ML) methods are being used in almost every conceivable area of electronic structure theory and molecular simulation. In particular, ML has become firmly established in the construction of high-dimensional interatomic…

Chemical Physics · Physics 2021-06-22 Julia Westermayr , Michael Gastegger , Kristof T. Schütt , Reinhard J. Maurer

The use of machine learning interatomic potentials (MLIPs) in simulations of materials is a state-of-the-art approach, which allows achieving nearly \textit{ab initio} accuracy with orders of magnitude less computational cost.…

Materials Science · Physics 2021-10-28 R. E. Ryltsev , N. M. Chtchelkatchev

We present a physics-inspired neural network (PINN) model for direct prediction of hydrodynamic forces and torques experienced by individual particles in stationary beds of randomly distributed spheres. In line with our findings, it has…

Fluid Dynamics · Physics 2022-03-09 Arman Seyed-Ahmadi , Anthony Wachs

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…

Nuclear Theory · Physics 2022-08-17 M. R. Mumpower , T. M. Sprouse , A. E. Lovell , A. T. Mohan

A significant increase in renewable energy production is necessary to achieve the UN's net-zero emission targets for 2050. Using power-electronic controllers, such as Phase Locked Loops (PLLs), to keep grid-tied renewable resources in…

Systems and Control · Electrical Eng. & Systems 2023-03-23 Rahul Nellikkath , Andreas Venzke , Mohammad Kazem Bakhshizadeh , Ilgiz Murzakhanov , Spyros Chatzivasileiadis

Reliable spacecraft attitude control depends on accurate prediction of attitude dynamics, particularly when model-based strategies such as Model Predictive Control (MPC) are employed, where performance is limited by the quality of the…

Robotics · Computer Science 2026-02-19 Carlo Cena , Mauro Martini , Marcello Chiaberge

We assess the accuracy of six universal machine-learned interatomic potentials (MLIPs) for predicting the temperature and pressure response of materials by molecular dynamics simulations. Accuracy is evaluated across 13 diverse materials…

Materials Science · Physics 2025-12-01 Konstantin Stracke , Connor W. Edwards , Jack D. Evans
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