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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 frequently chosen criteria is expected improvement. We argue that the popularity of expected improvement largely relies on its theoretical properties rather than empirically validated performance. Few results from the literature show evidence, that under certain conditions, expected improvement may perform worse than something as simple as the predicted value of the surrogate model. We benchmark both infill criteria in an extensive empirical study on the ‘BBOB’ function set. This investigation includes a detailed study of the impact of problem dimensionality on algorithm performance. The results support the hypothesis that exploration loses importance with increasing problem dimensionality. A statistical analysis reveals that the purely exploitative search with the predicted value criterion performs better on most problems of five or higher dimensions. Possible reasons for these results are discussed. In addition, we give an in-depth guide for choosing the infill criteria based on prior knowledge about the problem at hand, its dimensionality, and the available budget.
Real-world problems such as computational fluid dynamics simulations and finite element analyses are computationally expensive. A standard approach to mitigating the high computational expense is Surrogate-Based Optimization (SBO). Yet, due to the high-dimensionality of many simulation problems, SBO is not directly applicable or not efficient. Reducing the dimensionality of the search space is one method to overcome this limitation. In addition to the applicability of SBO, dimensionality reduction enables easier data handling and improved data and model interpretability. Regularization is considered as one state-of-the-art technique for dimensionality reduction. We propose a hybridization approach called Regularized-Surrogate-Optimization (RSO) aimed at overcoming difficulties related to high-dimensionality. It couples standard Kriging-based SBO with regularization techniques. The employed regularization methods are based on three adaptations of the least absolute shrinkage and selection operator (LASSO). In addition, tree-based methods are analyzed as an alternative variable selection method. An extensive study is performed on a set of artificial test functions and two real-world applications: the electrostatic precipitator problem and a multilayered composite design problem. Experiments reveal that RSO requires significantly less time than standard SBO to obtain comparable results. The pros and cons of the RSO approach are discussed, and recommendations for practitioners are presented.
We propose a hybridization approach called Regularized-Surrogate- Optimization (RSO) aimed at overcoming difficulties related to high- dimensionality. It combines standard Kriging-based SMBO with regularization techniques. The employed regularization methods use the least absolute shrinkage and selection operator (LASSO). An extensive study is performed on a set of artificial test functions and two real-world applications: the electrostatic precipitator problem and a multilayered composite design problem. Experiments reveal that RSO requires significantly less time than Kriging to obtain comparable results. The pros and cons of the RSO approach are discussed and recommendations for practitioners are presented.
The availability of several CPU cores on current computers enables
parallelization and increases the computational power significantly.
Optimization algorithms have to be adapted to exploit these highly
parallelized systems and evaluate multiple candidate solutions in
each iteration. This issue is especially challenging for expensive
optimization problems, where surrogate models are employed to
reduce the load of objective function evaluations.
This paper compares different approaches for surrogate modelbased
optimization in parallel environments. Additionally, an easy
to use method, which was developed for an industrial project, is
proposed. All described algorithms are tested with a variety of
standard benchmark functions. Furthermore, they are applied to
a real-world engineering problem, the electrostatic precipitator
problem. Expensive computational fluid dynamics simulations are
required to estimate the performance of the precipitator. The task
is to optimize a gas-distribution system so that a desired velocity
distribution is achieved for the gas flow throughout the precipitator.
The vast amount of possible configurations leads to a complex
discrete valued optimization problem. The experiments indicate
that a hybrid approach works best, which proposes candidate solutions
based on different surrogate model-based infill criteria and
evolutionary operators.