Surrogate algorithms such as Bayesian optimisation are especially designed for black-box optimisation problems with expensive objectives, such as hyperparameter tuning or simulation-based optimisation. In the literature, these algorithms are usually evaluated with synthetic benchmarks which are well established but have no expensive objective, and only on one or two real-life applications which vary wildly between papers. There is a clear lack of standardisation when it comes to benchmarking surrogate algorithms on real-life, expensive, black-box objective functions. This makes it very difficult to draw conclusions on the effect of algorithmic contributions and to give substantial advice on which method to use when. A new benchmark library, EXPObench, provides first steps towards such a standardisation. The library is used to provide an extensive comparison of six different surrogate algorithms on four expensive optimisation problems from different real-life applications. This has led to new insights regarding the relative importance of exploration, the evaluation time of the objective, and the used model. We also provide rules of thumb for which surrogate algorithm to use in which situation. A further contribution is that we make the algorithms and benchmark problem instances publicly available, contributing to more uniform analysis of surrogate algorithms. Most importantly, we include the results of the six algorithms on all evaluated problem instances. This unique new dataset lowers the bar for researching new methods as the number of expensive evaluations required for comparison and for the creation of new surrogate models is significantly reduced.

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 approximate solution to the original problem. In the case of discrete problems, recent research has revolved around discrete surrogate models that are specifically constructed to deal with these problems. A main motivation is that literature considers continuous methods, such as Bayesian optimization with Gaussian processes as the surrogate, to be sub-optimal (especially in higher dimensions) because they ignore the discrete structure by, e.g., rounding off real-valued solutions to integers. However, we claim that this is not true. In fact, we present empirical evidence showing that the use of continuous surrogate models displays competitive performance on a set of high-dimensional discrete benchmark problems, including a real-life application, against state-of-the-art discrete surrogate-based methods. Our experiments with different kinds of discrete decision variables and time constraints also give more insight into which algorithms work well on which type of problem.