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Surrogate-based optimization and nature-inspired metaheuristics have become the state of the art in solving real-world optimization problems. Still, it is difficult for beginners and even experts to get an overview that explains their advantages in comparison to the large number of available methods in the scope of continuous optimization. Available taxonomies lack the integration of surrogate-based approaches and thus their embedding in the larger context of this broad field.
This article presents a taxonomy of the field, which further matches the idea of nature-inspired algorithms, as it is based on the human behavior in path finding. Intuitive analogies make it easy to conceive the most basic principles of the search algorithms, even for beginners and non-experts in this area of research. However, this scheme does not oversimplify the high complexity of the different algorithms, as the class identifier only defines a descriptive meta-level of the algorithm search strategies. The taxonomy was established by exploring and matching algorithm schemes, extracting similarities and differences, and creating a set of classification indicators to distinguish between five distinct classes. In practice, this taxonomy allows recommendations for the applicability of the corresponding algorithms and helps developers trying to create or improve their own algorithms.
When designing or developing optimization algorithms, test functions are crucial to evaluate
performance. Often, test functions are not sufficiently difficult, diverse, flexible or relevant to real-world
applications. Previously,
test functions with real-world relevance were generated by training a machine learning model based on
real-world data. The model estimation is used as a test function.
We propose a more principled approach using simulation instead of estimation.
Thus, relevant and varied test functions
are created which represent the behavior of real-world fitness landscapes.
Importantly, estimation can lead to excessively smooth test functions
while simulation may avoid this pitfall. Moreover, the simulation
can be conditioned by the data, so that the simulation reproduces the training data
but features diverse behavior in unobserved regions of the search space.
The proposed test function generator is illustrated with an intuitive, one-dimensional
example. To demonstrate the utility of this approach it
is applied to a protein sequence optimization problem.
This application demonstrates the advantages as well as practical limits of simulation-based
test functions.
An essential task for operation and planning of biogas plants is the optimization of substrate feed mixtures. Optimizing the monetary gain requires the determination of the exact amounts of maize, manure, grass silage, and other substrates. Accurate simulation models are mandatory for this optimization, because the underlying chemical processes are very slow. The simulation models themselves may be time-consuming to evaluate, hence we show how to use surrogate-model-based approaches to optimize biogas plants efficiently. In detail, a Kriging surrogate is employed. To improve model quality of this surrogate, we integrate cheaply available data into the optimization process. Doing so, Multi-fidelity modeling methods like Co-Kriging are employed. Furthermore, a two-layered modeling approach is employed to avoid deterioration of model quality due to discontinuities in the search space. At the same time, the cheaply available data is shown to be very useful for initialization of the employed optimization algorithms. Overall, we show how biogas plants can be efficiently modeled using data-driven methods, avoiding discontinuities as well as including cheaply available data. The application of the derived surrogate models to an optimization process is shown to be very difficult, yet successful for a lower problem dimension.