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The use of surrogate models is a standard method to deal with complex, realworld
optimization problems. The first surrogate models were applied to continuous
optimization problems. In recent years, surrogate models gained importance
for discrete optimization problems. This article, which consists of three
parts, takes care of this development. The first part presents a survey of modelbased
methods, focusing on continuous optimization. It introduces a taxonomy,
which is useful as a guideline for selecting adequate model-based optimization
tools. The second part provides details for the case of discrete optimization
problems. Here, six strategies for dealing with discrete data structures are introduced.
A new approach for combining surrogate information via stacking
is proposed in the third part. The implementation of this approach will be
available in the open source R package SPOT2. The article concludes with a
discussion of recent developments and challenges in both application domains.
Cyclone separators 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.
Increasing computational power and the availability of 3D printers provide new tools for the combination of modeling and experimentation, which necessary for constructing efficient cyclones. Several simulation tools can be run in parallel, e.g., long running CFD simulations can be accompanied by experiments with 3D printers. Furthermore, results from analytical and data-driven models can be incorporated. 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, whereas analytical models do not. Combining results from models with different input-output structure is of great interest. This combination inspired the development of a new methodology. An optimization via multimodel simulation approach, which combines results from different models, is introduced.
Using cyclonic dust separators (cyclones) as a real-world simulation problem, the feasibility of this approach is demonstrated. Pros and cons of this approach are discussed and experiences from the experiments are presented.
Furthermore, technical problems, which are related to 3D-printing approaches, are discussed.
The performance of optimization algorithms relies crucially on their parameterizations. Finding good parameter settings is called algorithm tuning. Using
a simple simulated annealing algorithm, we will demonstrate how optimization algorithms can be tuned using the Sequential Parameter Optimization Toolbox (SPOT). SPOT provides several tools for automated and interactive tuning. The underlying concepts of the SPOT approach are explained. This includes key techniques such as exploratory fitness landscape analysis and response surface methodology. Many examples illustrate
how SPOT can be used for understanding the performance of algorithms and gaining insight into algorithm behavior. Furthermore, we demonstrate how SPOT can be used as an optimizer and how a sophisticated ensemble approach is able to combine several meta models via stacking.
This survey compiles ideas and recommendations from more than a dozen researchers with different backgrounds and from different institutes around the world. Promoting best practice in benchmarking is its main goal. The article discusses eight essential topics in benchmarking: clearly stated goals, well- specified problems, suitable algorithms, adequate performance measures, thoughtful analysis, effective and efficient designs, comprehensible presentations, and guaranteed reproducibility. The final goal is to provide well-accepted guidelines (rules) that might be useful for authors and reviewers. As benchmarking in optimization is an active and evolving field of research this manuscript is meant to co-evolve over time by means of periodic updates.
This paper proposes an experimental methodology for on-line machine learning algorithms, i.e., for algorithms that work on data that are available in a sequential order.
It is demonstrated how established tools from experimental algorithmics (EA) can be applied in the on-line or streaming data setting.
The massive on-line analysis (MOA) framework is used to perform the experiments.
Benefits of a well-defined report structure are discussed.
The application of methods from the EA community to on-line or streaming data is referred to as experimental algorithmics for streaming data (EADS).
This report presents a practical approach to stacked generalization in surrogate model based optimization. It exemplifies the integration of stacking methods into the surrogate model building process. First, a brief overview of the current state in surrogate model based opti- mization is presented. Stacked generalization is introduced as a promising ensemble surrogate modeling approach. Then two examples (the first is based on a real world application and the second on a set of artificial test functions) are presented. These examples clearly illustrate two properties of stacked generalization: (i) combining information from two poor performing models can result in a good performing model and (ii) even if the ensemble contains a good performing model, combining its information with information from poor performing models results in a relatively small performance decrease only.