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Molecular simulations can provide microscopic insight into the physical and chemical driving forces of complex molecular processes. Despite continued advancement of simulation methodology, model errors may lead to inconsistencies between…

Chemical Physics · Physics 2016-02-12 Joseph F. Rudzinski , Kurt Kremer , Tristan Bereau

Quantum error mitigation has been proposed as a means to combat unwanted and unavoidable errors in near-term quantum computing without the heavy resource overheads required by fault tolerant schemes. Recently, error mitigation has been…

Quantum Physics · Physics 2024-10-15 Yihui Quek , Daniel Stilck França , Sumeet Khatri , Johannes Jakob Meyer , Jens Eisert

In randomised trials, continuous endpoints are often measured with some degree of error. This study explores the impact of ignoring measurement error, and proposes methods to improve statistical inference in the presence of measurement…

Methodology · Statistics 2019-08-30 Linda Nab , Rolf H. H. Groenwold , Paco M. J. Welsing , Maarten van Smeden

Heterogeneous multiscale methods (HMM) combine molecular accuracy of particle-based simulations with the computational efficiency of continuum descriptions to model flow in soft matter liquids. In these schemes, molecular simulations…

Differences between computer simulation of dynamical systems and laboratory experiments are common in teaching and research in engineering. Normally, numerical inaccuracy and the non-ideal behaviour of the devices involved in the experiment…

Numerical Analysis · Mathematics 2016-12-14 M. L. C. Peixoto , E. G. Nepomuceno , H. M. Rodrigues , S. A. M. Martins , G. F. V. Amaral

Classical approaches to experimental design assume that intervening on one unit does not affect other units. There are many important settings, however, where this non-interference assumption does not hold, as when running experiments on…

Optimization and Control · Mathematics 2020-07-01 Stefan Wager , Kuang Xu

Q-learning and SARSA are foundational reinforcement learning algorithms whose practical success depends critically on step-size calibration. Step-sizes that are too large can cause numerical instability, while step-sizes that are too small…

Machine Learning · Statistics 2026-01-28 Hwanwoo Kim , Eric Laber

Software estimation is a crucial task in software engineering. Software estimation encompasses cost, effort, schedule, and size. The importance of software estimation becomes critical in the early stages of the software life cycle when the…

Software Engineering · Computer Science 2016-12-06 Ali Bou Nassif , Luiz Fernando Capretz , Danny Ho

We address the problem of identifying a system subject to additive faults, while simultaneously reconstructing the fault signal via subspace methods. We do not require nominal data for the identification, neither do we impose any assumption…

Systems and Control · Electrical Eng. & Systems 2025-05-20 Gabriel de Albuquerque Gleizer

Fault tolerance overhead of high performance computing (HPC) applications is becoming critical to the efficient utilization of HPC systems at large scale. HPC applications typically tolerate fail-stop failures by checkpointing. Another…

Distributed, Parallel, and Cluster Computing · Computer Science 2011-06-22 Erlin Yao , Mingyu Chen , Rui Wang , Wenli Zhang , Guangming Tan

Sparsity constraints on the control inputs of a linear dynamical system naturally arise in several practical applications such as networked control, computer vision, seismic signal processing, and cyber-physical systems. In this work, we…

Systems and Control · Electrical Eng. & Systems 2024-09-11 Rupam Kalyan Chakraborty , Geethu Joseph , Chandra R. Murthy

Calibration, the practice of choosing the parameters of a structural model to match certain empirical moments, can be viewed as minimum distance estimation. Existing standard error formulas for such estimators require a consistent estimate…

Econometrics · Economics 2024-06-19 Matthew D. Cocci , Mikkel Plagborg-Møller

Variational algorithms may enable classically intractable simulations on near-future quantum computers. However, their potential is limited by hardware errors. It is therefore crucial to develop efficient ways to mitigate these errors.…

Quantum Physics · Physics 2019-05-29 Sam McArdle , Xiao Yuan , Simon Benjamin

Feedback optimization enables autonomous optimality seeking of a dynamical system through its closed-loop interconnection with iterative optimization algorithms. Among various iteration structures, model-based approaches require the…

Optimization and Control · Mathematics 2026-05-26 Zhiyu He , Saverio Bolognani , Michael Muehlebach , Florian Dörfler

We investigate the performance of error mitigation via measurement of conserved symmetries on near-term devices. We present two protocols to measure conserved symmetries during the bulk of an experiment, and develop a zero-cost…

Quantum Physics · Physics 2019-01-03 X. Bonet-Monroig , R. Sagastizabal , M. Singh , T. E. O'Brien

Calibration of expensive simulation models involves an emulator based on simulation outputs generated across various parameter settings to replace the actual model. Noisy outputs of stochastic simulation models require many simulation…

Methodology · Statistics 2025-05-08 Özge Sürer

Computational efficiency demands discretised, hierarchically organised, and individually adaptive time-step sizes (known as the block-step scheme) for the time integration of N-body models. However, most existing N-body codes adapt…

Instrumentation and Methods for Astrophysics · Physics 2017-09-20 Walter Dehnen

Closed-loop performance of sequential decision making algorithms, such as model predictive control, depends strongly on the choice of controller parameters. Bayesian optimization allows learning of parameters from closed-loop experiments,…

Systems and Control · Electrical Eng. & Systems 2025-11-18 Sebastian Hirt , Lukas Theiner , Rolf Findeisen

Splitting methods constitute a widely used class of numerical integrators for ordinary and partial differential equations, particularly well suited to problems that can be decomposed into simpler subproblems. High-order splitting schemes…

Numerical Analysis · Mathematics 2026-04-02 Fernando Casas , Ander Murua

We present general conditions for quantum error suppression for Hamiltonian-based quantum computation using subsystem codes. This involves encoding the Hamiltonian performing the computation using an error detecting subsystem code and the…

Quantum Physics · Physics 2017-08-15 Milad Marvian , Daniel Lidar