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The development of accurate constitutive models for materials that undergo path-dependent processes continues to be a complex challenge in computational solid mechanics. Challenges arise both in considering the appropriate model assumptions…

Machine Learning · Computer Science 2023-02-22 Jan N. Fuhg , Craig M. Hamel , Kyle Johnson , Reese Jones , Nikolaos Bouklas

Data-driven modeling and machine learning are widely used to model the behavior of dynamic systems. One application is the residual evaluation of technical systems where model predictions are compared with measurement data to create…

Machine Learning · Computer Science 2023-05-09 Arman Mohammadi , Theodor Westny , Daniel Jung , Mattias Krysander

Machine learning is finding increasingly broad application in the physical sciences. This most often involves building a model relationship between a dependent, measurable output and an associated set of controllable, but complicated,…

Computational Physics · Physics 2018-08-29 Brian K. Spears

Modeling biological processes is a highly demanding task because not all processes are fully understood. Mathematical models allow us to test hypotheses about possible mechanisms of biological processes. The mathematical mechanisms…

Numerical Analysis · Mathematics 2023-12-11 Cordula Reisch , Hannah Burmester

Over the past decade inter-atomic potentials based on machine-learning (ML) techniques have become an indispensable tool in the atomic-scale modeling of materials. Trained on energies and forces obtained from electronic-structure…

Materials Science · Physics 2022-08-15 Michele Ceriotti

The simulation of large nonlinear dynamical systems, including systems generated by discretization of hyperbolic partial differential equations, can be computationally demanding. Such systems are important in both fluid and kinetic…

Plasma Physics · Physics 2021-06-14 Alexander Engel , Graeme Smith , Scott E. Parker

Machine learning has emerged as a significant approach to efficiently tackle electronic structure problems. Despite its potential, there is less guarantee for the model to generalize to unseen data that hinders its application in real-world…

Machine Learning · Computer Science 2024-02-16 Gengyuan Hu , Gengchen Wei , Zekun Lou , Philip H. S. Torr , Wanli Ouyang , Han-sen Zhong , Chen Lin

The integration of machine learning (ML) with traditional physics-based models is reshaping the landscape of weather and climate prediction. On their own, ML-based and physics-based approaches each have significant benefits - but also…

Machine learning has been increasingly applied in climate modeling on system emulation acceleration, data-driven parameter inference, forecasting, and knowledge discovery, addressing challenges such as physical consistency, multi-scale…

Modeling an unknown dynamical system is crucial in order to predict the future behavior of the system. A standard approach is training recurrent models on measurement data. While these models typically provide exact short-term predictions,…

Machine Learning · Computer Science 2023-03-02 Katharina Ensinger , Sebastian Ziesche , Barbara Rakitsch , Michael Tiemann , Sebastian Trimpe

Molecular dynamics simulations are an important tool for describing the evolution of a chemical system with time. However, these simulations are inherently held back either by the prohibitive cost of accurate electronic structure theory…

Chemical Physics · Physics 2018-12-20 Michael Gastegger , Philipp Marquetand

We develop an interpolation-based modeling framework for parameter-dependent partial differential equations arising in control, inverse problems, and uncertainty quantification. The solution is discretized in the physical domain using…

Numerical Analysis · Mathematics 2026-04-20 Erik Burman , Mats G. Larson , Karl Larsson , Jonatan Vallin

Finite mixture models have been a very important tool for exploring complex data structures in many scientific areas, for example, economics, epidemiology, finance. In the past decade, semiparametric techniques have been popularly…

Methodology · Statistics 2018-11-15 Sijia Xiang , Weixin Yao , Guangren Yang

High-throughput data generation methods and machine learning (ML) algorithms have given rise to a new era of computational materials science by learning relationships among composition, structure, and properties and by exploiting such…

We formulate a cut finite element method for linear elasticity based on higher order elements on a fixed background mesh. Key to the method is a stabilization term which provides control of the jumps in the derivatives of the finite element…

Numerical Analysis · Mathematics 2019-02-05 Peter Hansbo , Mats G. Larson , Karl Larsson

Computer simulation models are widely used to study complex physical systems. A related fundamental topic is the inverse problem, also called calibration, which aims at learning about the values of parameters in the model based on…

Methodology · Statistics 2024-01-03 Yang Li , Shifeng Xiong

The ability to construct, use, and revise models is a crucial experimental physics skill. Many existing frameworks describe modeling in science education at introductory levels. However, most have limited applicability to the context of…

Physics Education · Physics 2018-10-22 Dimitri R. Dounas-Frazer , H. J. Lewandowski

With the evolution of numerical methods, we are now aiming at not only qualitative understanding but also quantitative prediction and design of quantum many-body phenomena. As a novel numerical approach, machine learning techniques have…

Strongly Correlated Electrons · Physics 2024-12-20 Yusuke Nomura , Masatoshi Imada

This article takes the form of a tutorial on the use of a particular class of mixed finite element methods, which can be thought of as the finite element extension of the C-grid staggered finite difference method. The class is often…

Numerical Analysis · Mathematics 2014-01-06 C. J. Cotter , A. T. T. McRae

The Finite Element Method (FEM) is a powerful computational tool for solving partial differential equations (PDEs). Although commercial and open-source FEM software packages are widely available, an independent implementation of FEM…

Numerical Analysis · Mathematics 2025-02-06 Victor Dominguez , Alejandro Duque