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In alloys exhibiting substitutional disorder, the variety of atomic environments manifests itself as a `disorder broadening' in their core level binding energy spectra. Disorder broadening can be measured experimentally, and in principle…

Materials Science · Physics 2014-07-14 T. L. Underwood , G. J. Ackland , R. J. Cole

A non-intrusive reduced order model based on convolutional autoencoders (NIROM-CAEs) is proposed as a data-driven tool to build an efficient nonlinear reduced-order model for stochastic spatio-temporal large-scale physical problems. The…

Fluid Dynamics · Physics 2022-08-08 Azzedine Abdedou , Azzeddine Soulaïmani

In this chapter, we utilize dynamical systems to analyze several aspects of machine learning algorithms. As an expository contribution we demonstrate how to re-formulate a wide variety of challenges from deep neural networks, (stochastic)…

Dynamical Systems · Mathematics 2025-07-08 Dennis Chemnitz , Maximilian Engel , Christian Kuehn , Sara-Viola Kuntz

We show that unsupervised machine learning can be used to learn physical and chemical transformation pathways from the observational microscopic data, as demonstrated for atomically resolved images in Scanning Transmission Electron…

Physical systems are frequently modeled as sets of points in space, each representing the position of an atom, molecule, or mesoscale particle. As many properties of such systems depend on the underlying ordering of their constituent…

Other Condensed Matter · Physics 2015-11-18 Emanuel A. Lazar , Jian Han , David J. Srolovitz

Model reduction for fluid flow simulation continues to be of great interest across a number of scientific and engineering fields. In a previous work [arXiv:2104.13962], we explored the use of Neural Ordinary Differential Equations (NODE) as…

Machine Learning · Computer Science 2021-07-07 Sourav Dutta , Peter Rivera-Casillas , Orie M. Cecil , Matthew W. Farthing , Emma Perracchione , Mario Putti

We study the relaxation of a highly collisional, ultracold but nondegenerate gas of polar molecules. Confined within a harmonic trap, the gas is subject to fluid-gaseous coupled dynamics that lead to a breakdown of first-order…

Quantum Gases · Physics 2024-06-12 Reuben R. W. Wang , Daniel Messenger

This article describes a numerical procedure designed to tune the parameters of periodically-driven dynamical systems to a state in which they exhibit rich dynamical behavior. This is achieved by maximizing the diversity of subharmonic…

Chaotic Dynamics · Physics 2017-02-13 Leandro M. Alonso

Modal analysis has long been consolidated as a basic tool to interpret dynamics and build low-order models of mechanical, thermal, and fluid systems. Eigenmodes arising from the spectral decomposition of the underlying linearized dynamics…

Dynamical Systems · Mathematics 2024-12-17 Nicolas Torres-Ulloa , Erick Kracht , Urban Fasel , Benjamin Herrmann

In this letter, we develop a framework to study the mechanical response of athermal amorphous solids via a coupling of mesoscale and microscopic models. Using measurements of coarse grained quantities from simulations of dense disordered…

Soft Condensed Matter · Physics 2021-04-07 Chen Liu , Suman Dutta , Pinaki Chaudhuri , Kirsten Martens

Reduced Order Models (ROMs) form essential tools across engineering domains by virtue of their function as surrogates for computationally intensive digital twinning simulators. Although purely data-driven methods are available for ROM…

Computational Engineering, Finance, and Science · Computer Science 2025-04-14 Konstantinos Vlachas , Thomas Simpson , Anthony Garland , D. Dane Quinn , Charbel Farhat , Eleni Chatzi

The discovery of governing equations from scientific data has the potential to transform data-rich fields that lack well-characterized quantitative descriptions. Advances in sparse regression are currently enabling the tractable…

Other Statistics · Statistics 2022-06-08 Kathleen Champion , Bethany Lusch , J. Nathan Kutz , Steven L. Brunton

This work describes a novel data-driven latent space inference framework built on paired autoencoders to handle observational inconsistencies when solving inverse problems. Our approach uses two autoencoders, one for the parameter space and…

Machine Learning · Computer Science 2026-01-19 Emma Hart , Bas Peters , Julianne Chung , Matthias Chung

This paper proposes a dynamical Variable-separation method for solving parameter-dependent dynamical systems. To achieve this, we establish a dynamical low-rank approximation for the solutions of these dynamical systems by successively…

Numerical Analysis · Mathematics 2025-02-13 Liang Chen , Yaru Chen , Qiuqi Li , Tao Zhou

Conventional magneto-static finite element analysis of electrical machine design is time-consuming and computationally expensive. Since each machine topology has a distinct set of parameters, design optimization is commonly performed…

Machine Learning · Computer Science 2022-10-05 Vivek Parekh , Dominik Flore , Sebastian Schöps

Autonomous driving presents a complex challenge, which is usually addressed with artificial intelligence models that are end-to-end or modular in nature. Within the landscape of modular approaches, a bio-inspired neural circuit policy model…

Computer Vision and Pattern Recognition · Computer Science 2024-04-03 Anass Bairouk , Mirjana Maras , Simon Herlin , Alexander Amini , Marc Blanchon , Ramin Hasani , Patrick Chareyre , Daniela Rus

We consider an inverse problem involving the reconstruction of the solution to a nonlinear partial differential equation (PDE) with unknown boundary conditions. Instead of direct boundary data, we are provided with a large dataset of…

Numerical Analysis · Mathematics 2025-07-30 Erik Burman , Mats G. Larson , Karl Larsson , Carl Lundholm

Using the information theory, this study provides insights into how the construction of latent space of autoencoder (AE) using deep neural network (DNN) training finds a smooth low-dimensional manifold in the stiff dynamical system. Our…

We report a deep learning (DL) framework viz. deep autoencoder that autonomously discovers an appropriate order parameter from molecular dynamics (MD) simulation data to characterize the coil to globule phase transition of a polymer. The…

Materials Science · Physics 2021-02-25 Debjyoti Bhattacharya , Tarak K Patra

Battiston et al. (arXiv:2110.06023) provide a comprehensive overview of how investigations of complex systems should take into account interactions between more than two elements, which can be modelled by hypergraphs and studied via…

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