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This paper describes a simple, but effective sampling method for optimizing and learning a discrete approximation (or surrogate) of a multi-dimensional function along a one-dimensional line segment of interest. The method does not rely on…

Optimization and Control · Mathematics 2023-07-21 Dimitri J. Papageorgiou , Jan Kronqvist , Krishnan Kumaran

This paper studies the black-box optimization task which aims to find the maxima of a black-box function using a static set of its observed input-output pairs. This is often achieved via learning and optimizing a surrogate function with…

Machine Learning · Computer Science 2025-10-24 Manh Cuong Dao , The Hung Tran , Phi Le Nguyen , Thao Nguyen Truong , Trong Nghia Hoang

This paper develops a surrogate model refinement approach for the simulation of dynamical systems and the solution of optimization problems governed by dynamical systems in which surrogates replace expensive-to-compute state- and…

Optimization and Control · Mathematics 2025-09-08 Jonathan R. Cangelosi , Matthias Heinkenschloss

This study focuses on two important problems related to applying offline model-based optimization to real-world industrial control problems. The first problem is how to create a reliable probabilistic model that accurately captures the…

Machine Learning · Computer Science 2024-03-26 Cheng Feng

This paper presents a methodological framework for training, self-optimising, and self-organising surrogate models to approximate and speed up multiobjective optimisation of technical systems based on multiphysics simulations. At the hand…

Machine Learning · Computer Science 2024-04-04 Diego Botache , Jens Decke , Winfried Ripken , Abhinay Dornipati , Franz Götz-Hahn , Mohamed Ayeb , Bernhard Sick

Offline optimization aims to maximize a black-box objective function with a static dataset and has wide applications. In addition to the objective function being black-box and expensive to evaluate, numerous complex real-world problems…

Machine Learning · Computer Science 2024-06-07 Ke Xue , Rong-Xi Tan , Xiaobin Huang , Chao Qian

In this paper, we focus on developing efficient sensitivity analysis methods for a computationally expensive objective function $f(x)$ in the case that the minimization of it has just been performed. Here "computationally expensive" means…

Machine Learning · Statistics 2015-02-24 Yilun Wang , Christine A. Shoemaker

Feedback optimization optimizes the steady state of a dynamical system by implementing optimization iterations in closed loop with the plant. It relies on online measurements and limited model information, namely, the input-output…

Optimization and Control · Mathematics 2025-09-09 Winnie Chan , Zhiyu He , Keith Moffat , Saverio Bolognani , Michael Muehlebach , Florian Dörfler

Offline model-based optimization (MBO) aims to maximize a black-box objective function using only an offline dataset of designs and scores. These tasks span various domains, such as robotics, material design, and protein and molecular…

Machine Learning · Computer Science 2025-04-18 Ye Yuan , Youyuan Zhang , Can Chen , Haolun Wu , Zixuan Li , Jianmo Li , James J. Clark , Xue Liu

Explainable AI is a crucial component for edge services, as it ensures reliable decision making based on complex AI models. Surrogate models are a prominent approach of XAI where human-interpretable models, such as a linear regression…

Machine Learning · Computer Science 2025-03-12 Foivos Charalampakos , Thomas Tsouparopoulos , Iordanis Koutsopoulos

Simulation models are widely used in practice to facilitate decision-making in a complex, dynamic and stochastic environment. But they are computationally expensive to execute and optimize, due to lack of analytical tractability. Simulation…

Optimization and Control · Mathematics 2021-06-14 L. Jeff Hong , Xiaowei Zhang

Black-box model-based optimization (MBO) problems, where the goal is to find a design input that maximizes an unknown objective function, are ubiquitous in a wide range of domains, such as the design of proteins, DNA sequences, aircraft,…

Machine Learning · Computer Science 2022-02-18 Brandon Trabucco , Xinyang Geng , Aviral Kumar , Sergey Levine

We study offline model-based optimization to maximize a black-box objective function with a static dataset of designs and scores. These designs encompass a variety of domains, including materials, robots and DNA sequences. A common approach…

Computational Engineering, Finance, and Science · Computer Science 2023-10-11 Can Chen , Christopher Beckham , Zixuan Liu , Xue Liu , Christopher Pal

Surrogate modeling has become a valuable technique for black-box optimization tasks with expensive evaluation of the objective function. In this paper, we investigate the relationship between the predictive accuracy of surrogate models and…

Neural and Evolutionary Computing · Computer Science 2022-10-04 Zbyněk Pitra , Jan Koza , Jiří Tumpach , Martin Holeňa

Driven by increased complexity of dynamical systems, the solution of system of differential equations through numerical simulation in optimization problems has become computationally expensive. This paper provides a smart data driven…

Optimization and Control · Mathematics 2021-08-25 Kainat Khowaja , Mykhaylo Shcherbatyy , Wolfgang Karl Härdle

Global optimization of large-scale, complex systems such as multi-physics black-box simulations and real-world industrial systems is important but challenging. This work presents a novel Surrogate-Based Optimization framework based on…

Machine Learning · Computer Science 2026-01-13 Maaz Ahmad , Iftekhar A. Karimi

This work is in the context of blackbox optimization where the functions defining the problem are expensive to evaluate and where no derivatives are available. A tried and tested technique is to build surrogates of the objective and the…

Optimization and Control · Mathematics 2022-08-18 Charles Audet , Sébastien Le Digabel , Renaud Saltet

Real-world optimization problems often have expensive objective functions in terms of cost and time. It is desirable to find near-optimal solutions with very few function evaluations. Surrogate-assisted optimizers tend to reduce the…

Machine Learning · Statistics 2019-04-18 Samineh Bagheri , Wolfgang Konen , Thomas Bäck

We present a framework for automatically structuring and training fast, approximate, deep neural surrogates of stochastic simulators. Unlike traditional approaches to surrogate modeling, our surrogates retain the interpretable structure and…

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