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Coarse-graining has become an area of tremendous importance within many different research fields. For molecular simulation, coarse-graining bears the promise of finding simplified models such that long-time simulations of large-scale…

Chemical Physics · Physics 2019-09-04 Feliks Nüske , Lorenzo Boninsegna , Cecilia Clementi

Dynamical systems are ubiquitous within science and engineering, from turbulent flow across aircraft wings to structural variability of proteins. Although some systems are well understood and simulated, scientific imaging often confronts…

Computer Vision and Pattern Recognition · Computer Science 2025-09-03 Ali SaraerToosi , Renbo Tu , Kamyar Azizzadenesheli , Aviad Levis

A parallel dispersive finite-difference time-domain (FDTD) method for the modeling of three-dimensional (3-D) electromagnetic cloaking structures is presented in this paper. The permittivity and permeability of the cloak are mapped to the…

Computational Physics · Physics 2015-05-13 Yan Zhao , Yang Hao

This paper introduces a data-driven time embedding method for modeling long-range seasonal dependencies in spatiotemporal forecasting tasks. The proposed approach employs Dynamic Mode Decomposition (DMD) to extract temporal modes directly…

Machine Learning · Computer Science 2025-08-05 Menglin Kong , Vincent Zhihao Zheng , Xudong Wang , Lijun Sun

At the core of some of the most important problems in plasma physics -- from controlled nuclear fusion to the acceleration of cosmic rays -- is the challenge to describe nonlinear, multi-scale plasma dynamics. The development of reduced…

Plasma Physics · Physics 2022-09-13 E. Paulo Alves , Frederico Fiuza

Many astrophysical simulations involve extreme dynamic range of timescales around 'special points' in the domain (e.g. black holes, stars, planets, disks, galaxies, shocks, mixing interfaces), where processes on small scales couple strongly…

Instrumentation and Methods for Astrophysics · Physics 2026-05-11 Philip F. Hopkins , Elias R. Most

Soft robots achieve functionality through tight coupling among geometry, material composition, and actuation. As a result, effective design optimization requires these three aspects to be considered jointly rather than in isolation. This…

Robotics · Computer Science 2026-03-09 Vittorio Candiello , Manuel Mekkattu , Mike Y. Michelis , Robert K. Katzschmann

Generative models such as denoising diffusion models are quickly advancing their ability to approximate highly complex data distributions. They are also increasingly leveraged in scientific machine learning, where samples from the implied…

Machine Learning · Computer Science 2025-03-14 Jan-Hendrik Bastek , WaiChing Sun , Dennis M. Kochmann

This work proposes a novel variational approximation of partial differential equations on moving geometries determined by explicit boundary representations. The benefits of the proposed formulation are the ability to handle large…

Computational Engineering, Finance, and Science · Computer Science 2024-06-04 Santiago Badia , Pere A. Martorell , Francesc Verdugo

Molecular dynamics simulations provide theoretical insight into the microscopic behavior of materials in condensed phase and, as a predictive tool, enable computational design of new compounds. However, because of the large temporal and…

Chemical Physics · Physics 2020-06-18 Wujie Wang , Rafael Gómez-Bombarelli

For plane-wave and many-spiral states of the experimentally based Luo-Rudy 1 model of heart tissue in large (8 cm square) domains, we show that an explicit space-time-adaptive time-integration algorithm can achieve an order of magnitude…

Computational Physics · Physics 2009-10-31 Elizabeth M. Cherry , Henry S. Greenside , Craig S. Henriquez

The aerodynamic optimization process of cars requires multiple iterations between aerodynamicists and stylists. Response Surface Modeling and Reduced-Order Modeling are commonly used to eliminate the overhead due to Computational Fluid…

Computational Engineering, Finance, and Science · Computer Science 2022-05-26 Sam Jacob Jacob , Markus Mrosek , Carsten Othmer , Harald Köstler

Full 3D inversion of time-domain Airborne ElectroMagnetic (AEM) data requires specialists' expertise and a tremendous amount of computational resources, not readily available to everyone. Consequently, quasi-2D/3D inversion methods are…

Geophysics · Physics 2022-11-18 Wouter Deleersnyder , David Dudal , Thomas Hermans

Due to computational constraints, running global climate models (GCMs) for many years requires a lower spatial grid resolution (${\gtrsim}50$ km) than is optimal for accurately resolving important physical processes. Such processes are…

The automated construction of coarse-grained models represents a pivotal component in computer simulation of physical systems and is a key enabler in various analysis and design tasks related to uncertainty quantification. Pertinent methods…

Machine Learning · Statistics 2019-09-11 Constantin Grigo , Phaedon-Stelios Koutsourelakis

A stochastic modeling methodology for 3-D foliage is presented, aimed at enhancing ray-tracing simulations. The model supports adjustable stochastic geometry, density, and shape to capture variability in foliage structures. The model is…

Surrogate models for computational simulations are input-output approximations that allow computationally intensive analyses, such as uncertainty propagation and inference, to be performed efficiently. When a simulation output does not…

Computational Engineering, Finance, and Science · Computer Science 2014-08-05 Alex A. Gorodetsky , Youssef M. Marzouk

Models under location uncertainty are derived assuming that a component of the velocity is uncorrelated in time. The material derivative is accordingly modified to include an advection correction, inhomogeneous and anisotropic diffusion…

Atmospheric and Oceanic Physics · Physics 2017-05-31 Valentin Resseguier , Etienne Memin , Bertrand Chapron

Scientific applications typically generate large volumes of floating-point data, making lossy compression one of the most effective methods for data reduction, thereby lowering storage requirements and improving performance in large-scale…

Performance · Computer Science 2024-12-11 Youyuan Liu , Taolue Yang , Sian Jin

Computational Intelligence (CI) techniques have shown great potential as a surrogate model of expensive physics simulation, with demonstrated ability to make fast predictions, albeit at the expense of accuracy in some cases. For many…

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