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This paper develops a surrogate model refinement approach for the simulation of dynamical systems and the solution of optimization problems governed by dynamical systems in which surrogates replace expensive-to-compute state- and…

Optimization and Control · Mathematics 2025-09-08 Jonathan R. Cangelosi , Matthias Heinkenschloss

Several methods for preparing well equilibrated melts of long chains polymers are studied. We show that the standard method in which one starts with an ensemble of chains with the correct end-to-end distance arranged randomly in the…

Soft Condensed Matter · Physics 2009-11-10 Rolf Auhl , Ralf Everaers , Gary S. Grest , Kurt Kremer , Steven J. Plimpton

This paper considers the ill-posed data assimilation problem associated with hyperbolic/parabolic systems describing 2D coupled sound and heat flow. Given hypothetical data at time T > 0, that may not correspond to an actual solution of the…

Numerical Analysis · Mathematics 2025-01-28 Alfred S. Carasso

Many problems in science and engineering require making predictions based on few observations. To build a robust predictive model, these sparse data may need to be augmented with simulated data, especially when the design space is…

The task of reconstructing smooth signals from streamed data in the form of signal samples arises in various applications. This work addresses such a task subject to a zero-delay response; that is, the smooth signal must be reconstructed…

Machine Learning · Computer Science 2023-08-22 Emilio Ruiz-Moreno , Luis Miguel López-Ramos , Baltasar Beferull-Lozano

Equilibrium sampling of biomolecules remains an unmet challenge after more than 30 years of atomistic simulation. Efforts to enhance sampling capability, which are reviewed here, range from the development of new algorithms to…

Biomolecules · Quantitative Biology 2010-09-16 Daniel M. Zuckerman

Scientists and engineers often create accurate, trustworthy, computational simulation schemes - but all too often these are too computationally expensive to execute over the time or spatial domain of interest. The equation-free approach is…

Numerical Analysis · Mathematics 2020-03-03 John Maclean , J. E. Bunder , A. J. Roberts , I. G. Kevrekidis

High-performance dynamic language implementations make heavy use of speculative optimizations to achieve speeds close to statically compiled languages. These optimizations are typically performed by a just-in-time compiler that generates…

Programming Languages · Computer Science 2020-05-19 Olivier Flückiger , Gabriel Scherer , Ming-Ho Yee , Aviral Goel , Amal Ahmed , Jan Vitek

Whether rigid or compliant, contact interactions are inherent to robot motions, enabling them to move or manipulate things. Contact interactions result from complex physical phenomena, that can be mathematically cast as Nonlinear…

Robotics · Computer Science 2024-05-28 Justin Carpentier , Louis Montaut , Quentin Le Lidec

Simulator imperfection, often known as model error, is ubiquitous in practical data assimilation problems. Despite the enormous efforts dedicated to addressing this problem, properly handling simulator imperfection in data assimilation…

Optimization and Control · Mathematics 2019-08-06 Xiaodong Luo

In order to evaluate and compare different recursive filters, simulation is a common tool and numerous simulation models are widely used as 'benchmark'. In the simulation, the continuous time dynamic system is converted into a discrete-time…

Discrete Mathematics · Computer Science 2013-08-06 Tiancheng Li

Several problems in modeling and control of stochastically-driven dynamical systems can be cast as regularized semi-definite programs. We examine two such representative problems and show that they can be formulated in a similar manner. The…

Optimization and Control · Mathematics 2019-12-30 Armin Zare , Hesameddin Mohammadi , Neil K. Dhingra , Tryphon T. Georgiou , Mihailo R. Jovanović

We propose an extrapolation technique that allows accuracy improvement of the discrete dipole approximation computations. The performance of this technique was studied empirically based on extensive simulations for 5 test cases using many…

Optics · Physics 2008-07-29 Maxim A. Yurkin , Valeri P. Maltsev , Alfons G. Hoekstra

There are many real-world classification problems wherein the issue of data imbalance (the case when a data set contains substantially more samples for one/many classes than the rest) is unavoidable. While under-sampling the problematic…

Computer Vision and Pattern Recognition · Computer Science 2018-01-09 John McKay , Isaac Gerg , Vishal Monga

This work investigates the cooperative output regulation problem of linear multi-agent systems with hybrid sampled data control. Due to the limited data sensing and communication, in many practical situations, only sampled data are…

Systems and Control · Computer Science 2016-04-20 Chao Yang , Zhi-Hong Guan , Ming Chi , Gui-Lin Zheng

We introduce a new method for solving nonlinear continuous optimization problems with chance constraints. Our method is based on a reformulation of the probabilistic constraint as a quantile function. The quantile function is approximated…

Optimization and Control · Mathematics 2020-03-17 Alejandra Peña-Ordieres , James R. Luedtke , Andreas Wächter

Benchmark experiments are required to test, compare, tune, and understand optimization algorithms. Ideally, benchmark problems closely reflect real-world problem behavior. Yet, real-world problems are not always readily available for…

Neural and Evolutionary Computing · Computer Science 2020-08-17 Martin Zaefferer , Frederik Rehbach

Data assimilation algorithms are used to estimate the states of a dynamical system using partial and noisy observations. The ensemble Kalman filter has become a popular data assimilation scheme due to its simplicity and robustness for a…

Numerical Analysis · Mathematics 2021-06-23 Gottfried Hastermann , Maria Reinhardt , Rupert Klein , Sebastian Reich

Methods for reconstructing the topology of complex networks from time-resolved observations of node dynamics are gaining relevance across scientific disciplines. Of biggest practical interest are methods that make no assumptions about…

Simulation models are widely used in practice to facilitate decision-making in a complex, dynamic and stochastic environment. But they are computationally expensive to execute and optimize, due to lack of analytical tractability. Simulation…

Optimization and Control · Mathematics 2021-06-14 L. Jeff Hong , Xiaowei Zhang