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Machine learning (ML) is shown to predict new alloys and their performances in a high dimensional, multiple-target-property design space that considers chemistry, multi-step processing routes, and characterization methodology variations. A…

Materials Science · Physics 2020-10-12 Sen Liu , Branden B. Kappes , Behnam Amin-ahmadi , Othmane Benafan , Xiaoli Zhang , Aaron P. Stebner

Integration of machine learning (ML) models of unresolved dynamics into numerical simulations of fluid dynamics has been demonstrated to improve the accuracy of coarse resolution simulations. However, when trained in a purely offline mode,…

Fluid Dynamics · Physics 2023-07-26 Christian Pedersen , Laure Zanna , Joan Bruna , Pavel Perezhogin

In this work, we consider the construction of efficient surrogates for the stochastic version of the Landau-Lifshitz-Gilbert (LLG) equation using model order reduction techniques, in particular, the Reduced Basis (RB) method. The Stochastic…

Numerical Analysis · Mathematics 2025-10-01 Andrea Scaglioni , Michael Feischl , Fernando Henríquez

Precise magnetic field modeling is fundamental to the closed-loop control of electromagnetic navigation systems (eMNS) and the analytical Multipole Expansion Model (MPEM) is the current standard. However, the MPEM relies on strict physical…

Systems and Control · Electrical Eng. & Systems 2026-02-09 Antonio Bernardes , Jasan Zughaibi , Michael Muehlebach , Bradley J. Nelson

Machine learning potentials (MLP) have revolutionized the field of atomistic simulations by describing the atomic interactions with the accuracy of electronic structure methods at a small fraction of the costs. Most current MLPs construct…

Computational Physics · Physics 2024-12-09 Moritz Gubler , Jonas A. Finkler , Moritz R. Schäfer , Jörg Behler , Stefan Goedecker

We show how to construct Landau-like free energy potentials using a machine-learning approach. For concreteness, we focus on perovskite oxide PbTiO$_{3}$. We work with a training set obtained from Monte Carlo simulations based on an…

Materials Science · Physics 2025-08-01 Mauro Pulzone , Natalya S. Fedorova , Hugo Aramberri , Jorge Íñiguez-González

This study investigates the application of quantum machine learning (QML) to approximate the nonlinear component of the collision operator within the quantum lattice Boltzmann method (QLBM). To achieve this, we train a variational quantum…

Magnetic singularities known as Bloch points (BPs) present a fundamental challenge for micromagnetic theory, which is based on the assumption of a fixed magnetization vector length. Due to the divergence of the effective field at a BP,…

Mesoscale and Nanoscale Physics · Physics 2026-03-18 Vladyslav M. Kuchkin , Andreas Haller , Andreas Michels , Thomas L. Schmidt , Nikolai S. Kiselev

Machine learning potentials (MLPs) have become indispensable for performing accurate large-scale atomistic simulations and predicting crystal structures. This study introduces the development of a polynomial MLP specifically for the ternary…

Materials Science · Physics 2024-07-31 Atsuto Seko

Model-based reinforcement learning (MBRL) aims to learn a dynamic model to reduce the number of interactions with real-world environments. However, due to estimation error, rollouts in the learned model, especially those of long horizons,…

Machine Learning · Computer Science 2020-03-17 Yueh-Hua Wu , Ting-Han Fan , Peter J. Ramadge , Hao Su

A data-driven framework is presented for building magneto-elastic machine-learning interatomic potentials (ML-IAPs) for large-scale spin-lattice dynamics simulations. The magneto-elastic ML-IAPs are constructed by coupling a collective…

The Landau-Lifshitz equation governing magnetization dynamics is written in terms of the amplitudes of normal modes associated with the micromagnetic system's appropriate ground state. This results in a system of nonlinear ordinary…

Other Condensed Matter · Physics 2022-01-19 S. Perna , F. Bruckner , C. Serpico , D. Suess , M. d'Aquino

The convergence of statistical learning and molecular physics is transforming our approach to modeling biomolecular systems. Physics-informed machine learning (PIML) offers a systematic framework that integrates data-driven inference with…

Biomolecules · Quantitative Biology 2025-11-11 Aaryesh Deshpande

We introduce a machine-learning (ML) framework for high-throughput benchmarking of diverse representations of chemical systems against datasets of materials and molecules. The guiding principle underlying the benchmarking approach is to…

Machine Learning · Computer Science 2021-12-07 Carl Poelking , Felix A. Faber , Bingqing Cheng

Recent advances in mechanistic interpretability have revealed that large language models (LLMs) develop internal representations corresponding not only to concrete entities but also distinct, human-understandable abstract concepts and…

Machine Learning · Computer Science 2025-12-01 Rio Alexa Fear , Payel Mukhopadhyay , Michael McCabe , Alberto Bietti , Miles Cranmer

We introduce techniques for analysing the structure of quantum states of many-body localized (MBL) spin chains by identifying correlation clusters from pairwise correlations. These techniques proceed by interpreting pairwise correlations in…

Disordered Systems and Neural Networks · Physics 2022-02-16 Kévin Hémery , Frank Pollmann , Adam Smith

Magnetization dynamics in ferromagnetic materials is modeled by the Landau-Lifshitz (LL) equation, a nonlinear system of partial differential equations. Among the numerical approaches, semi-implicit schemes are widely used in the…

Numerical Analysis · Mathematics 2023-12-27 Yan Gui , Cheng Wang , Jingrun Chen

We study the real-time dynamics of a translationally invariant quantum spin chain, based on the East kinetically constrained glass model, in search for evidence of many-body localisation in the absence of disorder. Numerical simulations…

Statistical Mechanics · Physics 2015-10-07 Merlijn van Horssen , Emanuele Levi , Juan P. Garrahan

We present a machine-learning guided approach to predict saturation magnetization (MS) and coercivity (HC) in Fe-rich soft magnetic alloys, particularly Fe-Si-B systems. ML models trained on experimental data reveals that increasing Si and…

A keen interest towards technological implications of spin-orbit driven magnetization dynamics requests a proper theoretical description, especially in the context of a microscopic framework, to be developed. Indeed, magnetization dynamics…

Mesoscale and Nanoscale Physics · Physics 2018-11-22 Anastasiia A. Pervishko , Mikhail I. Baglai , Olle Eriksson , Dmitry Yudin