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Nonequilibrium time evolution of large quantum systems is a strong candidate for quantum advantage. Variational quantum algorithms have been put forward for this task, but their quantum optimization routines suffer from trainability and…

Quantum Physics · Physics 2024-07-12 Refik Mansuroglu , Felix Fischer , Michael J. Hartmann

This paper studies the estimation of ranked-list discrete choice models with single and multiple purchases. In this setting, each consumer type is characterized by a ranking over a subset of products and a desired number of purchases, and…

Data Structures and Algorithms · Computer Science 2026-05-11 Luciano Costa , Gerardo Berbeglia , Claudio Contardo , Jean-François Cordeau

We discuss the computational complexity and feasibility properties of scenario based techniques for uncertain optimization programs. We consider different solution alternatives ranging from the standard scenario approach to recursive…

Optimization and Control · Mathematics 2014-12-16 Nikolaos Kariotoglou , Kostas Margellos , John Lygeros

Simulating the time-evolution of a Hamiltonian is one of the most promising applications of quantum computers. Multi-Product Formulas (MPFs) are well suited to replace standard product formulas since they scale better with respect to time…

Quantum Physics · Physics 2023-07-26 Almudena Carrera Vazquez , Daniel J. Egger , David Ochsner , Stefan Woerner

In this work, we developed an efficient quantum algorithm for the simulation of non-Markovian quantum dynamics, based on the Feynman path integral formulation. The algorithm scales polynomially with the number of native gates and the number…

Quantum Physics · Physics 2024-11-28 Avin Seneviratne , Peter L. Walters , Fei Wang

The purpose of this paper is twofold. On one side, we present a general framework for Bayesian optimization and we compare it with some related fields in active learning and Bayesian numerical analysis. On the other hand, Bayesian…

Robotics · Computer Science 2018-02-13 Ruben Martinez-Cantin

In appropriate frameworks, automatic differentiation is transparent to the user at the cost of being a significant computational burden when the number of operations is large. For iterative algorithms, implicit differentiation alleviates…

Optimization and Control · Mathematics 2023-05-24 Jérôme Bolte , Edouard Pauwels , Samuel Vaiter

A new algorithm for smooth constrained optimization is proposed that never computes the value of the problem's objective function and that handles both equality and inequality constraints. The algorithm uses an adaptive switching strategy…

Optimization and Control · Mathematics 2026-02-13 S. Bellavia , S. Gratton , B. Morini , Ph. L. Toint

Simulating quantum dynamics on classical computers is challenging for large systems due to the significant memory requirements. Simulation on quantum computers is a promising alternative, but fully optimizing quantum circuits to minimize…

We extend Robust Optimization to fractional programming, where both the objective and the constraints contain uncertain parameters. Earlier work did not consider uncertainty in both the objective and the constraints, or did not use Robust…

Optimization and Control · Mathematics 2015-08-21 Bram L. Gorissen

Complex system design problems, such as those involved in aerospace engineering, require the use of numerically costly simulation codes in order to predict the performance of the system to be designed. In this context, these codes are often…

Optimization and Control · Mathematics 2024-02-14 Loic Brevault , Mathieu Balesdent

Accurate simulations of combustion phenomena require the use of detailed chemical kinetics in order to capture limit phenomena such as ignition and extinction as well as predict pollutant formation. However, the chemical kinetic models for…

Computational Physics · Physics 2017-03-31 Kyle E. Niemeyer , Nicholas J. Curtis , Chih-Jen Sung

Differentiating through constrained optimization problems is increasingly central to learning, control, and large-scale decision-making systems, yet practical integration remains challenging due to solver specialization and interface…

We have previously shown that Good-Turing statistics can be applied to molecular dynamics trajectories to estimate the probability of observing completely new (thus far unobserved) biomolecular structures, and showed that the method is…

Quantitative Methods · Quantitative Biology 2026-01-05 Vasiliki Tsampazi , Nicholas M. Glykos

Quantum simulation, fundamental in quantum algorithm design, extends far beyond its foundational roots, powering diverse quantum computing applications. However, optimizing the compilation of quantum Hamiltonian simulation poses significant…

Quantum Physics · Physics 2024-08-08 Xiuqi Cao , Junyu Zhou , Yuhao Liu , Yunong Shi , Gushu Li

With a focus on universal quantum computing for quantum simulation, and through the example of lattice gauge theories, we introduce rather general quantum algorithms that can efficiently simulate certain classes of interactions consisting…

High Energy Physics - Lattice · Physics 2023-12-27 Zohreh Davoudi , Alexander F. Shaw , Jesse R. Stryker

We construct product formulas for exponentials of commutators and explore their applications. First, we directly construct a third-order product formula with six exponentials by solving polynomial equations obtained using the operator…

Quantum Physics · Physics 2022-05-03 Yu-An Chen , Andrew M. Childs , Mohammad Hafezi , Zhang Jiang , Hwanmun Kim , Yijia Xu

Bayesian optimization is a sequential method for minimizing objective functions that are expensive to evaluate and about which few assumptions can be made. By using all gathered data to train a Gaussian process model for the function and…

Machine Learning · Computer Science 2026-05-07 Jesse Schneider , William J. Welch

In this paper, we present a generalized version of the matrix chain algorithm to generate efficient code for linear algebra problems, a task for which human experts often invest days or even weeks of works. The standard matrix chain problem…

Mathematical Software · Computer Science 2018-04-12 Henrik Barthels , Marcin Copik , Paolo Bientinesi

IFOSMONDI iterative algorithm for implicit co-simulation of coupled physical systems (introduced by the authors in july 2019 during the Simultech conference, p.176-186) enables us to solve the nonlinear coupling function while keeping the…

Numerical Analysis · Mathematics 2021-01-13 Yohan Eguillon , Bruno Lacabanne , Damien Tromeur-Dervout
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