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Many recently introduced enhanced sampling techniques are based on biasing coarse descriptors (collective variables) of a molecular system on the fly. Sometimes the calculation of such collective variables is expensive and becomes a…

Computational Physics · Physics 2015-09-01 Marco Jacopo Ferrarotti , Sandro Bottaro , Andrea Pérez-Villa , Giovanni Bussi

In recent years, solving optimization problems involving black-box simulators has become a point of focus for the machine learning community due to their ubiquity in science and engineering. The simulators describe a forward process…

Machine Learning · Computer Science 2024-06-07 Fabio Valerio Massoli , Tim Bakker , Thomas Hehn , Tribhuvanesh Orekondy , Arash Behboodi

Design of robots at the small scale is a trial-and-error based process, which is costly and time-consuming. There are no good dynamic simulation tools to predict the motion or performance of a microrobot as it moves against a substrate. At…

Robotics · Computer Science 2019-07-31 Jiayin Xie , Chenghao Bi , David J. Cappelleri , Nilanjan Chakraborty

We consider the dynamics of a parabolic and a hyperbolic equation coupled on a common interface and develop time-stepping schemes that can use different time-step sizes for each of the subproblems. The problem is formulated in a strongly…

Numerical Analysis · Mathematics 2020-07-13 Martyna Soszynska , Thomas Richter

Combined Transmission and Distribution Systems (CoTDS) simulation for power systems requires development of algorithms and software that are numerically stable and at the same time accurately simulate dynamic events that can occur in…

Systems and Control · Computer Science 2018-01-08 Ramakrishnan Venkatraman , Siddhartha Kumar Khaitan , Venkataramana Ajjarapu

We analyze safety problems of complex systems using the methods of mathematical statistics for testing the output variables of a code simulating the operation of the system under consideration when the input variables are uncertain. We have…

Data Analysis, Statistics and Probability · Physics 2007-05-23 L. Pal , M. Makai

The performance, reliability, cost, size and energy usage of computing systems can be improved by one or more orders of magnitude by the systematic use of modern control and optimization methods. Computing systems rely on the use of…

Systems and Control · Computer Science 2017-10-13 Eric C. Kerrigan

The method of choice for integrating the equations of motion of the general N-body problem has been to use an individual time step scheme. For the sake of efficiency, block time steps have been the most popular, where all time step sizes…

Astrophysics · Physics 2009-11-11 Junichiro Makino , Piet Hut , Murat Kaplan , Hasan Saygin

Optimization of expensive computer models with the help of Gaussian process emulators in now commonplace. However, when several (competing) objectives are considered, choosing an appropriate sampling strategy remains an open question. We…

Optimization and Control · Mathematics 2013-10-03 Victor Picheny

When we use simulation to evaluate the performance of a stochastic system, the simulation often contains input distributions estimated from real-world data; therefore, there is both simulation and input uncertainty in the performance…

Methodology · Statistics 2020-11-10 Wei Xie , Barry L. Nelson , Russell R. Barton

Black-box optimization is often encountered for decision-making in complex systems management, where the knowledge of system is limited. Under these circumstances, it is essential to balance the utilization of new information with…

Computation · Statistics 2025-01-15 Teng Lian , Jian-Qiang Hu , Yuhang Wu , Zeyu Zheng

Accurate methods of assessing the performance of quantum gates are extremely important. Quantum process tomography and randomized benchmarking are the current favored methods. Quantum process tomography gives detailed information, but…

Quantum Physics · Physics 2014-05-08 Austin G. Fowler , D. Sank , J. Kelly , R. Barends , John M. Martinis

In this paper we propose and quantitatively evaluate three performance optimization methods that exploit the concept of communication-compute-control co-design by introducing awareness of communication and compute characteristics into the…

Networking and Internet Architecture · Computer Science 2025-03-06 Sándor Rácz , Norbert Reider

Growing scale of recommender systems require extensive tuning to respond to market dynamics and system changes. We address the challenge of tuning a large-scale ads recommendation platform with multiple continuous parameters influencing key…

Machine Learning · Computer Science 2024-10-08 Kaushal Paneri , Michael Munje , Kailash Singh Maurya , Adith Swaminathan , Yifan Shi

Compounding error, where small prediction mistakes accumulate over time, presents a major challenge in learning-based control. For example, this issue often limits the performance of model-based reinforcement learning and imitation…

Systems and Control · Electrical Eng. & Systems 2025-04-03 Anne Somalwar , Bruce D. Lee , George J. Pappas , Nikolai Matni

This paper introduces a novel approach to system identification for nonlinear input-output models that minimizes the simulation error and frames the problem as a constrained optimization task. The proposed method addresses vanishing…

Optimization and Control · Mathematics 2025-12-17 Vito Cerone , Sophie M. Fosson , Simone Pirrera , Diego Regruto

Estimation and inference in dynamic discrete choice models often relies on approximation to lower the computational burden of dynamic programming. Unfortunately, the use of approximation can impart substantial bias in estimation and results…

Econometrics · Economics 2020-10-23 Ben Deaner

Subset Simulation is a Markov chain Monte Carlo method used to compute small failure probabilities in structural reliability problems. This is done by iteratively sampling from nested subsets in the input space of a performance function,…

Computation · Statistics 2024-10-03 Hugh J. Kinnear , F. A. DiazDelaO

The development of quantum control methods is an essential task for emerging quantum technologies. In general, the process of optimizing quantum controls scales very unfavorably in system size due to the exponential growth of the Hilbert…

Quantum Physics · Physics 2019-10-07 Jun Li

In this paper we consider change-points in multiple sequences with the objective of minimizing the estimation error of a sequence by making use of information from other sequences. This is in contrast to recent interest on change-points in…

Statistics Theory · Mathematics 2023-02-02 Hock Peng Chan