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One method to solve expensive black-box optimization problems is to use a surrogate model that approximates the objective based on previous observed evaluations. The surrogate, which is cheaper to evaluate, is optimized instead to find an…

Optimization and Control · Mathematics 2021-05-28 Rickard Karlsson , Laurens Bliek , Sicco Verwer , Mathijs de Weerdt

The complex and computationally expensive nature of landscape evolution models pose significant challenges in the inference and optimisation of unknown parameters. Bayesian inference provides a methodology for estimation and uncertainty…

Machine Learning · Statistics 2020-06-30 Rohitash Chandra , Danial Azam , Arpit Kapoor , R. Dietmar Müller

Machine learning models play a vital role in time series forecasting. These models, however, often overlook an important element: point uncertainty estimates. Incorporating these estimates is crucial for effective risk management, informed…

Machine Learning · Computer Science 2024-09-11 Leonid Erlygin , Vladimir Zholobov , Valeriia Baklanova , Evgeny Sokolovskiy , Alexey Zaytsev

Exploratory landscape analysis and fitness landscape analysis in general have been pivotal in facilitating problem understanding, algorithm design and endeavors such as automated algorithm selection and configuration. These techniques have…

Neural and Evolutionary Computing · Computer Science 2024-02-27 Raphael Patrick Prager , Heike Trautmann

Black-box optimization problems, which are common in many real-world applications, require optimization through input-output interactions without access to internal workings. This often leads to significant computational resources being…

Neural and Evolutionary Computing · Computer Science 2024-03-25 Hao Hao , Xiaoqun Zhang , Aimin Zhou

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

Deep neural networks are vulnerable to adversarial examples -- minor perturbations added to a model's input which cause the model to output an incorrect prediction. We introduce a new method for improving the efficacy of adversarial attacks…

Computer Vision and Pattern Recognition · Computer Science 2020-12-01 Chris Miller , Soroush Vosoughi

Evolutionary optimization algorithms often face defects and limitations that complicate the evolution processes or even prevent them from reaching the global optimum. A notable constraint pertains to the considerable quantity of function…

Neural and Evolutionary Computing · Computer Science 2025-05-23 Farshid Farhadi Khouzani , Abdolreza Mirzaei , Paul La Plante , Laxmi Gewali

Surrogate models play a crucial role in retrospectively interpreting complex and powerful black box machine learning models via model distillation. This paper focuses on using model-based trees as surrogate models which partition the…

Machine Learning · Statistics 2023-10-06 Julia Herbinger , Susanne Dandl , Fiona K. Ewald , Sofia Loibl , Giuseppe Casalicchio

Stochastic inverse problems are generally solved by some form of finite sampling of a space of uncertain parameters. For computationally expensive models, surrogate response surfaces are often employed to increase the number of samples used…

Numerical Analysis · Mathematics 2018-07-04 Steven Mattis , Barbara Wohlmuth

In this paper, we propose a surrogate-assisted evolutionary algorithm (EA) for hyperparameter optimization of machine learning (ML) models. The proposed STEADE model initially estimates the objective function landscape using RadialBasis…

Neural and Evolutionary Computing · Computer Science 2020-12-14 Subhodip Biswas , Adam D Cobb , Andreea Sistrunk , Naren Ramakrishnan , Brian Jalaian

We propose a novel method for gradient-based optimization of black-box simulators using differentiable local surrogate models. In fields such as physics and engineering, many processes are modeled with non-differentiable simulators with…

Machine Learning · Computer Science 2020-09-30 Sergey Shirobokov , Vladislav Belavin , Michael Kagan , Andrey Ustyuzhanin , Atılım Güneş Baydin

Black-box optimization often relies on evolutionary and swarm algorithms whose performance is highly problem dependent. We view an optimizer as a short program over a small vocabulary of search operators and learn this operator program…

Neural and Evolutionary Computing · Computer Science 2025-12-16 Junbo Jacob Lian , Mingyang Yu , Kaichen Ouyang , Shengwei Fu , Rui Zhong , Yujun Zhang , Jun Zhang , Huiling Chen

Modern generative AI models, such as diffusion and flow matching models, can sample from rich data distributions. However, many applications, especially in science and engineering, require more than drawing samples from the model…

Selecting the most suitable algorithm and determining its hyperparameters for a given optimization problem is a challenging task. Accurately predicting how well a certain algorithm could solve the problem is hence desirable. Recent studies…

Neural and Evolutionary Computing · Computer Science 2022-04-18 Ana Kostovska , Diederick Vermetten , Sašo Džeroski , Carola Doerr , Peter Korošec , Tome Eftimov

Evolutionary illumination is a recent technique that allows producing many diverse, optimal solutions in a map of manually defined features. To support the large amount of objective function evaluations, surrogate model assistance was…

Neural and Evolutionary Computing · Computer Science 2017-03-30 Alexander Hagg

In agricultural landscapes, the composition and spatial configuration of cultivated and semi-natural elements strongly impact species dynamics, their interactions and habitat connectivity. To allow for landscape structural analysis and…

Populations and Evolution · Quantitative Biology 2020-03-05 Patrizia Zamberletti , Julien Papaïx , Edith Gabriel , Thomas Opitz

Surrogate-assisted evolutionary algorithms (SAEAs) have been proposed to solve expensive optimization problems. Although SAEAs use surrogate models that approximate the evaluations of solutions using machine learning techniques, prior…

Neural and Evolutionary Computing · Computer Science 2026-01-21 Yuki Hanawa , Tomohiro Harada , Yukiya Miura

Microstructure evolution, which plays a critical role in determining materials properties, is commonly simulated by the high-fidelity but computationally expensive phase-field method. To address this, we approximate microstructure evolution…

Materials Science · Physics 2024-11-22 Saurabh Tiwari , Prathamesh Satpute , Supriyo Ghosh

In physics and engineering, many processes are modeled using non-differentiable black-box simulators, making the optimization of such functions particularly challenging. To address such cases, inspired by the Gradient Theorem, we propose…