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The use of surrogate models instead of computationally expensive simulation codes is very convenient in engineering. Roughly speaking, there are two kinds of surrogate models: the deterministic and the probabilistic ones. These last are…

Applications · Statistics 2015-12-24 Malek Ben Salem , Olivier Roustant , Fabrice Gamboa , Lionel Tomaso

Optimization plays an important role in chemical engineering, impacting cost-effectiveness, resource utilization, product quality, and process sustainability metrics. This chapter broadly focuses on data-driven optimization, particularly,…

Optimization and Control · Mathematics 2024-12-19 Mathias Neufang , Emma Pajak , Damien van de Berg , Ye Seol Lee , Ehecatl Antonio del Rio Chanona

Many investment models in discrete or continuous-time settings boil down to maximizing an objective of the quantile function of the decision variable. This quantile optimization problem is known as the quantile formulation of the original…

Portfolio Management · Quantitative Finance 2022-01-07 Zuo Quan Xu

Robust optimization (RO) is a common approach to tractably obtain safeguarding solutions for optimization problems with uncertain constraints. In this paper, we study a statistical framework to integrate data into RO, based on learning a…

Optimization and Control · Mathematics 2020-03-03 L. Jeff Hong , Zhiyuan Huang , Henry Lam

Surrogate models are widely used in mechanical design and manufacturing process optimization, where high-fidelity computational models may be unavailable or prohibitively expensive. Their effectiveness, however, is often limited by data…

Machine Learning · Computer Science 2026-03-03 Bingran Wang , Seongha Jeong , Sebastiaan P. C. van Schie , Dongyeon Han , Jaeho Min , John T. Hwang

Mathematical models simulate various events under different conditions, enabling an early overview of the system to be implemented in practice, reducing the waste of resources and in less time. In project optimization, these models play a…

Optimization and Control · Mathematics 2021-05-11 Gustavo Barbosa Libotte , Fran Sérgio Lobato , Francisco Duarte Moura Neto , Gustavo Mendes Platt

Ensuring safety in industrial control systems usually involves imposing constraints at the design stage of the control algorithm. Enforcing constraints is challenging if the underlying functional form is unknown. The challenge can be…

Optimization and Control · Mathematics 2023-06-09 Marta Zagorowska , Efe C. Balta , Varsha Behrunani , Alisa Rupenyan , John Lygeros

Quantum approximate optimization is one of the promising candidates for useful quantum computation, particularly in the context of finding approximate solutions to Quadratic Unconstrained Binary Optimization (QUBO) problems. However, the…

Offline model-based optimization (MBO) seeks to discover high-performing designs using only a fixed dataset of past evaluations. Most existing methods rely on learning a surrogate model via regression and implicitly assume that good…

Machine Learning · Computer Science 2026-03-05 Shen-Huan Lyu , Rong-Xi Tan , Ke Xue , Yi-Xiao He , Yu Huang , Qingfu Zhang , Chao Qian

The present paper proposes a Bayesian framework for inverse problems that seamlessly integrates optimization and inversion to enable rapid surrogate modeling, accurate parameter inference, and rigorous uncertainty quantification. Bayesian…

Computational Engineering, Finance, and Science · Computer Science 2026-02-05 Mihaela Chiappetta , Massimo Carraturo , Alexander Raßloff , Markus Kästner , Ferdinando Auricchio

Bayesian Optimization (BO), guided by Gaussian process (GP) surrogates, has proven to be an invaluable technique for efficient, high-dimensional, black-box optimization, a critical problem inherent to many applications such as industrial…

Surrogate-based optimization relies on so-called infill criteria (acquisition functions) to decide which point to evaluate next. When Kriging is used as the surrogate model of choice (also called Bayesian optimization), one of the most…

Neural and Evolutionary Computing · Computer Science 2020-02-18 Frederik Rehbach , Martin Zaefferer , Boris Naujoks , Thomas Bartz-Beielstein

Robust topology optimization (RTO), as a class of topology optimization problems, identifies a design with the best average performance while reducing the response sensitivity to input uncertainties, e.g. load uncertainty. Solving RTO is…

Machine Learning · Computer Science 2024-08-22 Rini Jasmine Gladstone , Mohammad Amin Nabian , Vahid Keshavarzzadeh , Hadi Meidani

Combinatorial optimization problems are typically formulated using Quadratic Unconstrained Binary Optimization (QUBO), where constraints are enforced through penalty terms that introduce auxiliary variables and rapidly increase Hamiltonian…

Quantum Physics · Physics 2026-02-10 Shashank Sanjay Bhat , Peiyong Wang , Joseph West , Udaya Parampalli

Leveraging quantum computers for optimization problems holds promise across various application domains. Nevertheless, utilizing respective quantum computing solvers requires describing the optimization problem according to the Quadratic…

Quantum Physics · Physics 2025-10-15 Deborah Volpe , Nils Quetschlich , Mariagrazia Graziano , Giovanna Turvani , Robert Wille

We present a new optimization method for small-to-intermediate scale variational algorithms on noisy near-term quantum processors which uses a Gaussian process surrogate model equipped with a classically-evaluated quantum kernel.…

Quantum Physics · Physics 2023-08-16 Alistair W. R. Smith , A. J. Paige , M. S. Kim

We consider an optimization problem of an expensive-to-evaluate black-box function, in which we can obtain noisy function values in parallel. For this problem, parallel Bayesian optimization (PBO) is a promising approach, which aims to…

Machine Learning · Computer Science 2026-03-13 Shuhei Sugiura , Ichiro Takeuchi , Shion Takeno

We consider a general class of two-stage distributionally robust optimization (DRO) problems where the ambiguity set is constrained by fixed marginal probability laws that are not necessarily discrete. We derive primal and dual formulations…

Optimization and Control · Mathematics 2025-10-17 Ariel Neufeld , Qikun Xiang

The advent of quantum computing processors with possibility to scale beyond experimental capacities magnifies the importance of studying their applications. Combinatorial optimization problems can be one of the promising applications of…

Quantum Physics · Physics 2017-08-18 Ehsan Zahedinejad , Arman Zaribafiyan

In recent years, there is a growing interest in using quantum computers for solving combinatorial optimization problems. In this work, we developed a generic, machine learning-based framework for mapping continuous-space inverse design…

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