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Chaotic systems pose fundamental challenges for data-driven dynamics discovery, as small modeling errors lead to exponentially growing trajectory discrepancies. Since exact long-term prediction is unattainable, it is natural to ask what a…

Machine Learning · Computer Science 2026-05-15 Joon-Hyuk Ko , Andrus Giraldo , Deok-Sun Lee

Concurrent multiscale finite element analysis (FE2) is a powerful approach for high-fidelity modeling of materials for which a suitable macroscopic constitutive model is not available. However, the extreme computational effort associated…

Numerical Analysis · Mathematics 2020-07-16 I. B. C. M. Rocha , P. Kerfriden , F. P. van der Meer

In computer experiments, a mathematical model implemented on a computer is used to represent complex physical phenomena. These models, known as computer simulators, enable experimental study of a virtual representation of the complex…

Methodology · Statistics 2012-07-03 Hugh Chipman , Pritam Ranjan , Weiwei Wang

Estimating the probability of rare failure events is an essential step in the reliability assessment of engineering systems. Computing this failure probability for complex non-linear systems is challenging, and has recently spurred the…

Machine Learning · Computer Science 2022-02-10 P. -R. Wagner , S. Marelli , I. Papaioannou , D. Straub , B. Sudret

We consider diffusion-controlled release of particles from $d$-dimensional radially-symmetric geometries. A quantity commonly used to characterise such diffusive processes is the proportion of particles remaining within the geometry over…

Biological Physics · Physics 2023-09-20 Luke P. Filippini , Matthew J. Simpson , Elliot J. Carr

This paper deals with the construction of a metamodel (i.e. a simplified mathematical model) for a stochastic computer code (also called stochastic numerical model or stochastic simulator), where stochastic means that the code maps the…

Statistics Theory · Mathematics 2015-09-15 Thomas Browne , Bertrand Iooss , Loïc Le Gratiet , Jérome Lonchampt

Stochastic processes have found numerous applications in science, as they are broadly used to model a variety of natural phenomena. Due to their intrinsic randomness and uncertainty, they are, however, difficult to characterize. Here, we…

We use a constant velocity steered molecular dynamics (SMD) simulation of the stretching of deca-alanine in vacuum to demonstrate a technique that can be used to create surrogate stochastic processes using the time series that come out of…

Statistical Mechanics · Physics 2015-06-25 Christopher P. Calderon

Stochastic simulation is a widely used method for estimating quantities in models of chemical reaction networks where uncertainty plays a crucial role. However, reducing the statistical uncertainty of the corresponding estimators requires…

Quantitative Methods · Quantitative Biology 2019-06-13 Michael Backenköhler , Luca Bortolussi , Verena Wolf

Reliable forward uncertainty quantification in engineering requires methods that account for aleatory and epistemic uncertainties. In many applications, epistemic effects arising from uncertain parameters and model form dominate prediction…

Computational Engineering, Finance, and Science · Computer Science 2025-12-18 Akash Yadav , Ruda Zhang

Building an accurate surrogate model for the spatio-temporal outputs of a computer simulation is a challenging task. A simple approach to improve the accuracy of the surrogate is to cluster the outputs based on similarity and build a…

Machine Learning · Computer Science 2023-07-06 Chandrika Kamath , Juliette S. Franzman

The Worldwide LHC Computing Grid (WLCG) provides the robust computing infrastructure essential for the LHC experiments by integrating global computing resources into a cohesive entity. Simulations of different compute models present a…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-14 Larissa Schmid , Maximilian Horzela , Valerii Zhyla , Manuel Giffels , Günter Quast , Anne Koziolek

Simulations of optical quantum systems are essential for the development of quantum technologies. However, these simulations are often computationally intensive, especially when repeated evaluations are required for data fitting, parameter…

Stochastic reaction networks are mathematical models with a wide range of applications in biochemistry, ecology, and epidemiology, and are often complex to analyze. Except for some special cases, it is generally difficult to predict how the…

Probability · Mathematics 2026-04-02 Daniele Cappelletti , Giulio Cuniberti , Paola Siri

Spectral estimators have been broadly applied to statistical network analysis, but they do not incorporate the likelihood information of the network sampling model. This paper proposes a novel surrogate likelihood function for statistical…

Methodology · Statistics 2025-08-12 Dingbo Wu , Fangzheng Xie

We propose a Koopman operator-based surrogate model for propagating parameter uncertainties in power system nonlinear dynamic simulations. First, we augment the a priori known state-space model by reformulating parameters deemed uncertain…

Systems and Control · Electrical Eng. & Systems 2023-04-04 Yijun Xu , Marcos Netto , Lamine Mili

From their birth in the manufacturing process, materials inherently contain defects that affect the mechanical behavior across multiple length and time-scales, including vacancies, dislocations, voids and cracks. Understanding, modeling,…

Materials Science · Physics 2020-12-10 Eduardo A. Barros de Moraes , Jorge L. Suzuki , Mohsen Zayernouri

Predicting the behavior of complex systems in engineering often involves significant uncertainty about operating conditions, such as external loads, environmental effects, and manufacturing variability. As a result, uncertainty…

Computation · Statistics 2025-07-17 S. Marelli , S. Schär , B. Sudret

Stochastic approximation is a framework unifying many random iterative algorithms occurring in a diverse range of applications. The stability of the process is often difficult to verify in practical applications and the process may even be…

Probability · Mathematics 2014-03-10 Christophe Andrieu , Matti Vihola

This paper is dedicated to enhancing the computational efficiency of traditional parallel-in-time methods for solving stochastic initial-value problems. The standard parareal algorithm often suffers from slow convergence when applied to…

Numerical Analysis · Mathematics 2025-10-31 Dou Dai , Qiuqi Li , Huailing Song