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We introduce an optimisation method for variational quantum algorithms and experimentally demonstrate a 100-fold improvement in efficiency compared to naive implementations. The effectiveness of our approach is shown by obtaining…

We propose a variance-penalized formulation of Bayesian optimal experimental design for nonlinear models that augments the classical expected utility criterion with a penalty on utility variability, yielding a mean--variance objective that…

Methodology · Statistics 2026-04-07 Wanggang Shen , Xun Huan

We have previously reported a Bayesian algorithm for determining the coordinates of points in three-dimensional space from uncertain constraints. This method is useful in the determination of biological molecular structure. It is limited,…

Artificial Intelligence · Computer Science 2013-02-28 Russ B. Altman , Cheng C. Chen , William B. Poland , Jaswinder Pal Singh

The buildings and construction sector is a significant source of greenhouse gas emissions, with cement production alone contributing 7~\% of global emissions and the industry as a whole accounting for approximately 37~\%. Reducing emissions…

Computational Engineering, Finance, and Science · Computer Science 2025-10-10 Heine Havneraas Røstum , Joseph Morlier , Sebastien Gros , Ketil Aas-Jakobsen

Bayesian optimization is an effective method for optimizing expensive-to-evaluate black-box functions. High-dimensional problems are particularly challenging as the surrogate model of the objective suffers from the curse of dimensionality,…

Machine Learning · Computer Science 2023-10-06 Erik Orm Hellsten , Carl Hvarfner , Leonard Papenmeier , Luigi Nardi

High-fidelity complex engineering simulations are highly predictive, but also computationally expensive and often require substantial computational efforts. The mitigation of computational burden is usually enabled through parallelism in…

Machine Learning · Statistics 2021-02-08 Anh Tran , Mike Eldred , Tim Wildey , Scott McCann , Jing Sun , Robert J. Visintainer

In Evolutionary Robotics a population of solutions is evolved to optimize robots that solve a given task. However, in traditional Evolutionary Algorithms, the population of solutions tends to converge to local optima when the problem is…

Robotics · Computer Science 2020-08-06 Jørgen Nordmoen , Frank Veenstra , Kai Olav Ellefsen , Kyrre Glette

It is commonly believed that Bayesian optimization (BO) algorithms are highly efficient for optimizing numerically costly functions. However, BO is not often compared to widely different alternatives, and is mostly tested on narrow sets of…

Optimization and Control · Mathematics 2021-10-01 Rodolphe Le Riche , Victor Picheny

Optimizing the architecture of variational quantum circuits (VQCs) is crucial for advancing quantum computing (QC) towards practical applications. Current methods range from static ansatz design and evolutionary methods to machine learned…

This paper introduces Bayesian frameworks for tackling various aspects of multi-criteria decision-making (MCDM) problems, leveraging a probabilistic interpretation of MCDM methods and challenges. By harnessing the flexibility of Bayesian…

Artificial Intelligence · Computer Science 2025-08-08 Majid Mohammadi

Quality diversity is a recent family of evolutionary search algorithms which focus on finding several well-performing (quality) yet different (diversity) solutions with the aim to maintain an appropriate balance between divergence and…

Neural and Evolutionary Computing · Computer Science 2018-10-25 Daniele Gravina , Antonios Liapis , Georgios N. Yannakakis

The partially observable constrained optimization problems (POCOPs) impede data-driven optimization techniques since an infeasible solution of POCOPs can provide little information about the objective as well as the constraints. We endeavor…

Machine Learning · Computer Science 2023-12-27 Shengbo Wang , Ke Li

Creating diverse sets of high quality solutions has become an important problem in recent years. Previous works on diverse solutions problems consider solutions' objective quality and diversity where one is regarded as the optimization goal…

Neural and Evolutionary Computing · Computer Science 2024-01-17 Anh Viet Do , Mingyu Guo , Aneta Neumann , Frank Neumann

Bayesian optimization (BO) is one of the most effective methods for closed-loop experimental design and black-box optimization. However, a key limitation of BO is that it is an inherently sequential algorithm (one experiment is proposed per…

Machine Learning · Statistics 2023-11-21 Leonardo D. González , Victor M. Zavala

Bayesian Optimization aims at optimizing an unknown non-convex/concave function that is costly to evaluate. We are interested in application scenarios where concurrent function evaluations are possible. Under such a setting, BO could choose…

Artificial Intelligence · Computer Science 2012-05-02 Javad Azimi , Ali Jalali , Xiaoli Fern

The initial phase in real world engineering optimization and design is a process of discovery in which not all requirements can be made in advance, or are hard to formalize. Quality diversity algorithms, which produce a variety of high…

Neural and Evolutionary Computing · Computer Science 2019-07-17 Alexander Hagg , Alexander Asteroth , Thomas Bäck

We propose a novel Bayesian Optimization approach for black-box functions with an environmental variable whose value determines the tradeoff between evaluation cost and the fidelity of the evaluations. Further, we use a novel approach to…

Machine Learning · Statistics 2018-05-16 Mark McLeod , Michael A. Osborne , Stephen J. Roberts

Complex computer codes are often too time expensive to be directly used to perform uncertainty propagation studies, global sensitivity analysis or to solve optimization problems. A well known and widely used method to circumvent this…

Applications · Statistics 2008-04-06 Amandine Marrel , Bertrand Iooss , Francois Van Dorpe , Elena Volkova

Nonlinear dynamical systems with continuous variables can be used for solving combinatorial optimization problems with discrete variables. Numerical simulations of them are also useful as heuristic algorithms with a desirable property,…

Quantum Physics · Physics 2026-04-08 Hayato Goto , Ryo Hidaka , Kosuke Tatsumura

Mixed discrete-continuous optimization is central to engineering design, where discrete choices interact with continuous fields. These problems are difficult due to high-dimensional, complex search spaces. To tackle them, Quantum Annealing…

Computational Engineering, Finance, and Science · Computer Science 2026-03-19 Fabian Key , Lukas Freinberger , Mayu Muramatsu , Norbert Hosters
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