Towards Better Integration of Surrogate Models and Optimizers

Surrogate-Assisted Evolutionary Algorithms (SAEAs) have been proven to be very effective in solving (synthetic and real-world) computationally expensive optimization problems with a limited number of function evaluations. The two main components of SAEAs are: the surrogate model and the evolutionary optimizer, both of which use parameters to control their respective behavior. These parameters are likely to interact closely, and hence the exploitation of any such relationships may lead to the design of an enhanced SAEA. In this chapter, as a first step, we focus on Kriging and the Efficient Global Optimization (EGO) framework. We discuss potentially profitable ways of a better integration of model and optimizer. Furthermore, we investigate in depth how different parameters of the model and the optimizer impact optimization results. In particular, we determine whether there are any interactions between these parameters, and how the problem characteristics impact optimization results. In the experimental study, we use the popular Black-Box Optimization Benchmarking (BBOB) testbed. Interestingly, the analysis finds no evidence for significant interactions between model and optimizer parameters, but independently their performance has a significant interaction with the objective function. Based on our results, we make recommendations on how best to configure EGO

Genetic Algorithms in Stochastic Optimization and Applications in Power Electronics

Genetic Algorithms (GAs) are widely used in multiple fields, ranging from mathematics, physics, to engineering fields, computational science, bioinformatics, manufacturing, economics, etc. The stochastic optimization problems are important in power electronics and control systems, and most designs require choosing optimum parameters to ensure maximum control effect or minimum noise impact; however, they are difficult to solve using the exhaustive searching method, especially when the search domain conveys a large area or is infinite. Instead, GAs can be applied to solve those problems. And efficient computing budget allocation technique for allocating the samples in GAs is necessary because the real-life problems with noise are often difficult to evaluate and require significant computation effort. A single objective GA is proposed in which computing budget allocation techniques are integrated directly into the selection operator rather than being used during fitness evaluation. This allows fitness evaluations to be allocated towards specific individuals for whom the algorithm requires more information, and this selection-integrated method is shown to be more accurate for the same computing budget than the existing evaluation-integrated methods on several test problems. A combination of studies is performed on a multi-objective GA that compares integration of different computing budget allocation methods into either the evaluation or the environmental selection steps. These comparisons are performed on stochastic problems derived from benchmark multi-objective optimization problems and consider varying levels of noise. The algorithms are compared regarding both proximity to and coverage of the true Pareto-optimal front, and sufficient studies are performed to allow statistically significant conclusions to be drawn. Finally, the multi-objective GA with selection integrated sampling technique is applied to solve a multi-objective stochastic optimization problem in a grid connected photovoltaic inverter system with noise injected from both the solar power input and the utility grid

Numerical and Evolutionary Optimization 2020

This book was established after the 8th International Workshop on Numerical and Evolutionary Optimization (NEO), representing a collection of papers on the intersection of the two research areas covered at this workshop: numerical optimization and evolutionary search techniques. While focusing on the design of fast and reliable methods lying across these two paradigms, the resulting techniques are strongly applicable to a broad class of real-world problems, such as pattern recognition, routing, energy, lines of production, prediction, and modeling, among others. This volume is intended to serve as a useful reference for mathematicians, engineers, and computer scientists to explore current issues and solutions emerging from these mathematical and computational methods and their applications

Efficient tuning in supervised machine learning

The tuning of learning algorithm parameters has become more and more important during the last years. With the fast growth of computational power and available memory databases have grown dramatically. This is very challenging for the tuning of parameters arising in machine learning, since the training can become very time-consuming for large datasets. For this reason efficient tuning methods are required, which are able to improve the predictions of the learning algorithms. In this thesis we incorporate model-assisted optimization techniques, for performing efficient optimization on noisy datasets with very limited budgets. Under this umbrella we also combine learning algorithms with methods for feature construction and selection. We propose to integrate a variety of elements into the learning process. E.g., can tuning be helpful in learning tasks like time series regression using state-of-the-art machine learning algorithms? Are statistical methods capable to reduce noise e ffects? Can surrogate models like Kriging learn a reasonable mapping of the parameter landscape to the quality measures, or are they deteriorated by disturbing factors? Summarizing all these parts, we analyze if superior learning algorithms can be created, with a special focus on efficient runtimes. Besides the advantages of systematic tuning approaches, we also highlight possible obstacles and issues of tuning. Di fferent tuning methods are compared and the impact of their features are exposed. It is a goal of this work to give users insights into applying state-of-the-art learning algorithms profitably in practiceBundesministerium f ür Bildung und Forschung (Germany), Cologne University of Applied Sciences (Germany), Kind-Steinm uller-Stiftung (Gummersbach, Germany)Algorithms and the Foundations of Software technolog

Efficient information collection in stochastic optimisation

This thesis focuses on a class of information collection problems in stochastic optimisation. Algorithms in this area often need to measure the performances of several potential solutions, and use the collected information in their search for high-performance solutions, but only have a limited budget for measuring. A simple approach that allocates simulation time equally over all potential solutions may waste time in collecting additional data for the alternatives that can be quickly identified as non-promising. Instead, algorithms should amend their measurement strategy to iteratively examine the statistical evidences collected thus far and focus computational efforts on the most promising alternatives. This thesis develops new efficient methods of collecting information to be used in stochastic optimisation problems. First, we investigate an efficient measurement strategy used for the solution selection procedure of two-stage linear stochastic programs. In the solution selection procedure, finite computational resources must be allocated among numerous potential solutions to estimate their performances and identify the best solution. We propose a two-stage sampling approach that exploits a Wasserstein-based screening rule and an optimal computing budget allocation technique to improve the efficiency of obtaining a high-quality solution. Numerical results show our method provides good trade-offs between computational effort and solution performance. Then, we address the information collection problems that are encountered in the search for robust solutions. Specifically, we use an evolutionary strategy to solve a class of simulation optimisation problems with computationally expensive blackbox functions. We implement an archive sample approximation method to ix reduce the required number of evaluations. The main challenge in the application of this method is determining the locations of additional samples drawn in each generation to enrich the information in the archive and minimise the approximation error. We propose novel sampling strategies by using the Wasserstein metric to estimate the possible benefit of a potential sample location on the approximation error. An empirical comparison with several previously proposed archive-based sample approximation methods demonstrates the superiority of our approaches. In the final part of this thesis, we propose an adaptive sampling strategy for the rollout algorithm to solve the clinical trial scheduling and resource allocation problem under uncertainty. The proposed sampling strategy method exploits the variance reduction technique of common random numbers and the empirical Bernstein inequality in a statistical racing procedure, which can balance the exploration and exploitation of the rollout algorithm. Moreover, we present an augmented approach that utilises a heuristic-based grouping rule to enhance the simulation efficiency by breaking down the overall action selection problem into a selection problem involving small groups. The numerical results show that the proposed method provides competitive results within a reasonable amount of computational time

Democratizing machine learning

Modelle des maschinellen Lernens sind zunehmend in der Gesellschaft verankert, oft in Form von automatisierten Entscheidungsprozessen. Ein wesentlicher Grund dafür ist die verbesserte Zugänglichkeit von Daten, aber auch von Toolkits für maschinelles Lernen, die den Zugang zu Methoden des maschinellen Lernens für Nicht-Experten ermöglichen. Diese Arbeit umfasst mehrere Beiträge zur Demokratisierung des Zugangs zum maschinellem Lernen, mit dem Ziel, einem breiterem Publikum Zugang zu diesen Technologien zu er- möglichen. Die Beiträge in diesem Manuskript stammen aus mehreren Bereichen innerhalb dieses weiten Gebiets. Ein großer Teil ist dem Bereich des automatisierten maschinellen Lernens (AutoML) und der Hyperparameter-Optimierung gewidmet, mit dem Ziel, die oft mühsame Aufgabe, ein optimales Vorhersagemodell für einen gegebenen Datensatz zu finden, zu vereinfachen. Dieser Prozess besteht meist darin ein für vom Benutzer vorgegebene Leistungsmetrik(en) optimales Modell zu finden. Oft kann dieser Prozess durch Lernen aus vorhergehenden Experimenten verbessert oder beschleunigt werden. In dieser Arbeit werden drei solcher Methoden vorgestellt, die entweder darauf abzielen, eine feste Menge möglicher Hyperparameterkonfigurationen zu erhalten, die wahrscheinlich gute Lösungen für jeden neuen Datensatz enthalten, oder Eigenschaften der Datensätze zu nutzen, um neue Konfigurationen vorzuschlagen. Darüber hinaus wird eine Sammlung solcher erforderlichen Metadaten zu den Experimenten vorgestellt, und es wird gezeigt, wie solche Metadaten für die Entwicklung und als Testumgebung für neue Hyperparameter- Optimierungsmethoden verwendet werden können. Die weite Verbreitung von ML-Modellen in vielen Bereichen der Gesellschaft erfordert gleichzeitig eine genauere Untersuchung der Art und Weise, wie aus Modellen abgeleitete automatisierte Entscheidungen die Gesellschaft formen, und ob sie möglicherweise Individuen oder einzelne Bevölkerungsgruppen benachteiligen. In dieser Arbeit wird daher ein AutoML-Tool vorgestellt, das es ermöglicht, solche Überlegungen in die Suche nach einem optimalen Modell miteinzubeziehen. Diese Forderung nach Fairness wirft gleichzeitig die Frage auf, ob die Fairness eines Modells zuverlässig geschätzt werden kann, was in einem weiteren Beitrag in dieser Arbeit untersucht wird. Da der Zugang zu Methoden des maschinellen Lernens auch stark vom Zugang zu Software und Toolboxen abhängt, sind mehrere Beiträge in Form von Software Teil dieser Arbeit. Das R-Paket mlr3pipelines ermöglicht die Einbettung von Modellen in sogenan- nte Machine Learning Pipelines, die Vor- und Nachverarbeitungsschritte enthalten, die im maschinellen Lernen und AutoML häufig benötigt werden. Das mlr3fairness R-Paket hingegen ermöglicht es dem Benutzer, Modelle auf potentielle Benachteiligung hin zu über- prüfen und diese durch verschiedene Techniken zu reduzieren. Eine dieser Techniken, multi-calibration wurde darüberhinaus als seperate Software veröffentlicht.Machine learning artifacts are increasingly embedded in society, often in the form of automated decision-making processes. One major reason for this, along with methodological improvements, is the increasing accessibility of data but also machine learning toolkits that enable access to machine learning methodology for non-experts. The core focus of this thesis is exactly this – democratizing access to machine learning in order to enable a wider audience to benefit from its potential. Contributions in this manuscript stem from several different areas within this broader area. A major section is dedicated to the field of automated machine learning (AutoML) with the goal to abstract away the tedious task of obtaining an optimal predictive model for a given dataset. This process mostly consists of finding said optimal model, often through hyperparameter optimization, while the user in turn only selects the appropriate performance metric(s) and validates the resulting models. This process can be improved or sped up by learning from previous experiments. Three such methods one with the goal to obtain a fixed set of possible hyperparameter configurations that likely contain good solutions for any new dataset and two using dataset characteristics to propose new configurations are presented in this thesis. It furthermore presents a collection of required experiment metadata and how such meta-data can be used for the development and as a test bed for new hyperparameter optimization methods. The pervasion of models derived from ML in many aspects of society simultaneously calls for increased scrutiny with respect to how such models shape society and the eventual biases they exhibit. Therefore, this thesis presents an AutoML tool that allows incorporating fairness considerations into the search for an optimal model. This requirement for fairness simultaneously poses the question of whether we can reliably estimate a model’s fairness, which is studied in a further contribution in this thesis. Since access to machine learning methods also heavily depends on access to software and toolboxes, several contributions in the form of software are part of this thesis. The mlr3pipelines R package allows for embedding models in so-called machine learning pipelines that include pre- and postprocessing steps often required in machine learning and AutoML. The mlr3fairness R package on the other hand enables users to audit models for potential biases as well as reduce those biases through different debiasing techniques. One such technique, multi-calibration is published as a separate software package, mcboost