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Control of the stochastic dynamics of a quantum system is indispensable in fields such as quantum information processing and metrology. However, there is no general ready-made approach to the design of efficient control strategies. Here, we…

Quantum Physics · Physics 2021-04-26 Frank Schäfer , Pavel Sekatski , Martin Koppenhöfer , Christoph Bruder , Michal Kloc

Second derivatives of mathematical models for real-world phenomena are fundamental ingredients of a wide range of numerical simulation methods including parameter sensitivity analysis, uncertainty quantification, nonlinear optimization and…

Mathematical Software · Computer Science 2021-10-27 Uwe Naumann , Shubhaditya Burela

Molecular dynamics simulations use statistical mechanics at the atomistic scale to enable both the elucidation of fundamental mechanisms and the engineering of matter for desired tasks. The behavior of molecular systems at the microscale is…

Computational Physics · Physics 2020-12-25 Wujie Wang , Simon Axelrod , Rafael Gómez-Bombarelli

Direct collocation methods are widely used numerical techniques for solving optimal control problems. The discretization of continuous-time optimal control problems transforms them into large-scale nonlinear programming problems, which…

Systems and Control · Electrical Eng. & Systems 2025-06-16 Yilin Zou , Fanghua Jiang

The paper is devoted to the study of a new class of optimal control problems for nonsmooth dynamical systems governed by nonconvex discontinuous differential inclusions of the sweeping type with involving variable time into optimization. We…

Optimization and Control · Mathematics 2025-03-05 Tan H. Cao , Boris S. Mordukhovich , Dao Nguyen , Trang Nguyen , Nguyen N. Thieu

Robust control policy learning for autonomous driving requires training environments to be both physically realistic and computationally scalable, properties that existing simulators provide only in isolation. We introduce Sim2Sim2Sim, a…

Robotics · Computer Science 2026-05-05 Xunjiang Gu , Kashyap Chitta , Mahsa Golchoubian , Vladimir Suplin , Igor Gilitschenski

It is known that the same physical system can be described by different effective theories depending on the scale at which it is observed. In this work, we formulate a prescription for finding the unitary that best approximates the large…

Quantum Physics · Physics 2026-02-17 Antonio F. Rotundo , Paolo Perinotti , Alessandro Bisio

Variational Optimization forms a differentiable upper bound on an objective. We show that approaches such as Natural Evolution Strategies and Gaussian Perturbation, are special cases of Variational Optimization in which the expectations are…

Machine Learning · Statistics 2018-09-14 Thomas Bird , Julius Kunze , David Barber

We propose a simple subsampling scheme for fast randomized approximate computation of optimal transport distances. This scheme operates on a random subset of the full data and can use any exact algorithm as a black-box back-end, including…

Computation · Statistics 2020-12-17 Max Sommerfeld , Jörn Schrieber , Yoav Zemel , Axel Munk

This work investigates finite differences and the use of interpolation models to obtain approximations to the first and second derivatives of a function. Here, it is shown that if a particular set of points is used in the interpolation…

Optimization and Control · Mathematics 2020-01-24 Ian D. Coope , Rachael Tappenden

Nonlinear optimal control problems for trajectory planning with obstacle avoidance present several challenges. While general-purpose optimizers and dynamic programming methods struggle when adopted separately, their combination enabled by a…

Optimization and Control · Mathematics 2024-08-09 Rebecca Richter , Alberto De Marchi , Matthias Gerdts

Various bias-correction methods such as EXTRA, gradient tracking methods, and exact diffusion have been proposed recently to solve distributed {\em deterministic} optimization problems. These methods employ constant step-sizes and converge…

Machine Learning · Computer Science 2023-07-19 Kun Yuan , Sulaiman A. Alghunaim , Bicheng Ying , Ali H. Sayed

Implementing fast and high-fidelity quantum operations using open-loop quantum optimal control relies on having an accurate model of the quantum dynamics. Any deviations between this model and the complete dynamics of the device, such as…

Quantum Physics · Physics 2024-10-31 Elie Genois , Noah J. Stevenson , Noah Goss , Irfan Siddiqi , Alexandre Blais

Aerodynamic design optimization is an important problem in aircraft design that depends on the interplay between a numerical optimizer and a high-fidelity flow physics solver. Derivative-based, first and (quasi) second order, optimization…

Optimization and Control · Mathematics 2026-04-17 Punya Plaban , Peter Bachman , Ashwin Renganathan

In this paper, we study numerical approximations for optimal control of a class of stochastic partial differential equations with partial observations. The system state evolves in a Hilbert space, whereas observations are given in…

Optimization and Control · Mathematics 2025-04-02 Feng Bao , Yanzhao Cao , Hongjiang Qian

Molecular dynamics refers to the computer simulation of a material at the atomic level. An open problem in numerical analysis is to explain the apparent reliability of molecular dynamics simulations. The difficulty is that individual…

Numerical Analysis · Mathematics 2015-05-13 P. F. Tupper

Discrete-time stochastic systems are an essential modelling tool for many engineering systems. We consider stochastic control systems that are evolving over continuous spaces. For this class of models, methods for the formal verification…

Systems and Control · Computer Science 2018-11-29 Sofie Haesaert , Sadegh Soudjani

Sparse polynomial approximation has become indispensable for approximating smooth, high- or infinite-dimensional functions from limited samples. This is a key task in computational science and engineering, e.g., surrogate modelling in…

Numerical Analysis · Mathematics 2023-11-08 Ben Adcock , Simone Brugiapaglia , Nick Dexter , Sebastian Moraga

Variational algorithms have particular relevance for near-term quantum computers but require non-trivial parameter optimisations. Here we propose Analytic Descent: Given that the energy landscape must have a certain simple form in the local…

Quantum Physics · Physics 2022-05-16 Bálint Koczor , Simon C. Benjamin

Highly accurate and robust control of quantum operations is vital for the realization of error-correctible quantum computation. In this paper, we show that the robustness of high-precision controls can be remarkably enhanced through…

Quantum Physics · Physics 2021-07-28 Xiaozhen Ge , Re-Bing Wu