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We propose to apply typed Genetic Programming (GP) to the problem of finding surrogate-model ensembles for global optimization on compute-intensive target functions. In a model ensemble, base-models such as linear models, random forest models, or Kriging models, as well as pre- and post-processing methods, are combined. In theory, an optimal ensemble will join the strengths of its comprising base-models while avoiding their weaknesses, offering higher prediction accuracy and robustness. This study defines a grammar of model ensemble expressions and searches the set for optimal ensembles via GP. We performed an extensive experimental study based on 10 different objective functions and 2 sets of base-models. We arrive at promising results, as on unseen test data, our ensembles perform not significantly worse than the best base-model.
Dieser Schlussbericht beschreibt die im Projekt „CI-basierte mehrkriterielle Optimierungsverfahren für Anwendungen in der Industrie“ (CIMO) im Zeitraum von November 2011 bis einschließlich Oktober 2014 erzielten Ergebnisse. Für aufwändige Optimierungsprobleme aus der Industrie wurden geeignete Lösungsverfahren entwickelt. Der Schwerpunkt lag hierbei auf Methoden aus den Bereichen Computational Intelligence (CI) und Surrogatmodellierung. Diese bieten die Möglichkeit, wichtige Herausforderung von aufwändigen, komplexen Optimierungsproblemen zu lösen. Die entwickelten Methoden können verschiedene konfliktäre Zielgrößen berücksichtigen, verschiedene Hierarchieebenen des Problems in die Optimierung integrieren, Nebenbedingungen beachten, vektorielle aber auch strukturierte Daten verarbeiten (kombinatorische Optimierung) sowie die Notwendigkeit teurer/zeitaufwändiger Zielfunktionsberechnungen reduzieren. Die entwickelten Methoden wurden schwerpunktmäßig auf einer Problemstellung aus der Kraftwerkstechnik angewendet, nämlich der Optimierung der Geometrie eines Fliehkraftabscheiders (auch: Zyklon), der Staubanteile aus Abgasen filtert. Das Optimierungsproblem, das diese FIiehkraftabscheider aufwerfen, führt zu konfliktären Zielsetzungen (z.B. Druckverlust, Abscheidegrad). Zyklone können unter anderem über aufwändige Computational Fluid Dynamics (CFD) Simulationen berechnet werden, es stehen aber auch einfache analytische Gleichungen als Schätzung zu Verfügung. Die Verknüpfung von beidem zeigt hier beispielhaft wie Hierarchieebenen eines Optimierungsproblems mit den Methoden des Projektes verbunden werden können. Neben dieser Schwerpunktanwendung konnte auch gezeigt werden, dass die Methoden in vielen weiteren Bereichen Erfolgreich zur Anwendung kommen können: Biogaserzeugung, Wasserwirtschaft, Stahlindustrie. Die besondere Herausforderung der behandelten Probleme und Methoden bietet viele wichtige Forschungsmöglichkeiten für zukünftige Projekte, die derzeit durch die Projektpartner vorbereitet werden.
There is a strong need for sound statistical analysis of simulation and optimization algorithms. Based on this analysis, improved parameter settings can be determined. This will be referred to as tuning. Model-based investigations are common approaches in simulation and optimization. The sequential parameter optimization toolbox (SPOT), which is implemented as a package for the statistical programming language R, provides sophisticated means for tuning and understanding simulation and optimization algorithms. The toolbox includes methods for tuning based on classical regression and analysis of variance techniques; tree-based models such as classification and regressions trees (CART) and random forest; Gaussian process models (Kriging), and combinations of different meta-modeling approaches. This article exemplifies how an existing optimization algorithm, namely simulated annealing, can be tuned using the SPOT framework.
Formerly, multi-criteria optimization algorithms were often tested using tens of thousands function evaluations. In many real-world settings function evaluations are very costly or the available budget is very limited. Several methods were developed to solve these cost-extensive multi-criteria optimization problems by reducing the number of function evaluations by means of surrogate optimization. In this study, we apply different multi-criteria surrogate optimization methods to improve (tune) an event-detection software for water-quality monitoring. For tuning two important parameters of this software, four state-of-the-art methods are compared: S-Metric-Selection Efficient Global Optimization (SMS-EGO), S-Metric-Expected Improvement for Efficient Global Optimization SExI-EGO, Euclidean Distance based Expected Improvement Euclid-EI (here referred to as MEI-SPOT due to its implementation in the Sequential Parameter Optimization Toolbox SPOT) and a multi-criteria approach based on SPO (MSPOT). Analyzing the performance of the different methods provides insight into the working-mechanisms of cutting-edge multi-criteria solvers. As one of the approaches, namely MSPOT, does not consider the prediction variance of the surrogate model, it is of interest whether this can lead to premature convergence on the practical tuning problem. Furthermore, all four approaches will be compared to a simple SMS-EMOA to validate that the use of surrogate models is justified on this problem.
Multi-criteria optimization has gained increasing attention during the last decades. This article exemplifies multi-criteria features, which are implemented in the statistical software package SPOT. It describes related software packages such as mco and emoa and gives a comprehensive introduction to simple multi criteria optimization tasks. Several hands-on examples are used for illustration. The article is well-suited as a starting point for performing multi-criteria optimization tasks with SPOT.
This paper introduces UniFIeD, a new data preprocessing method for time series. UniFIeD can cope with large intervals of missing data. A scalable test function generator, which allows the simulation of time series with different gap sizes, is presented additionally. An experimental study demonstrates that (i) UniFIeD shows a significant better performance than simple imputation methods and (ii) UniFIeD is able to handle situations, where advanced imputation methods fail. The results are independent from the underlying error measurements.
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.
Increasing computational power and the availability of 3D printers provide new tools for the combination of modeling and experimentation. Several simulation tools can be run independently and in parallel, e.g., long running computational fluid dynamics simulations can be accompanied by experiments with 3D printers. Furthermore, results from analytical and data-driven models can be incorporated. However, there are fundamental differences between these modeling approaches: some models, e.g., analytical models, use domain knowledge, whereas data-driven models do not require any information about the underlying processes.
At the same time, data-driven models require input and output data, but analytical models do not. Combining results from models with different input-output structures might improve and accelerate the optimization process. The optimization via multimodel simulation (OMMS) approach, which is able to combine results from these different models, is introduced in this paper.
Using cyclonic dust separators as a real-world simulation problem, the feasibility of this approach is demonstrated and a proof-of-concept is presented. Cyclones are popular devices used to filter dust from the emitted flue gases. They are applied as pre-filters in many industrial processes including energy production and grain processing facilities. Pros and cons of this multimodel optimization approach are discussed and experiences from experiments 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.
When researchers and practitioners in the field of
computational intelligence are confronted with real-world
problems, the question arises which method is the best to
apply. Nowadays, there are several, well established test
suites and well known artificial benchmark functions
available.
However, relevance and applicability of these methods to
real-world problems remains an open question in many
situations. Furthermore, the generalizability of these
methods cannot be taken for granted.
This paper describes a data-driven approach for the
generation of test instances, which is based on
real-world data. The test instance generation uses
data-preprocessing, feature extraction, modeling, and
parameterization. We apply this methodology on a classical
design of experiment real-world project and generate test
instances for benchmarking, e.g. design methods, surrogate
techniques, and optimization algorithms. While most
available results of methods applied on real-world
problems lack availability of the data for comparison,
our future goal is to create a toolbox covering multiple
data sets of real-world projects to provide a test
function generator to the research community.