arXiv subjects

Thomas Bäck

Publications and source records attributed to Thomas Bäck.

At least 127 records · Page 7Linked to original sources

arXiv2022

IOHexperimenter: Benchmarking Platform for Iterative Optimization Heuristics

We present IOHexperimenter, the experimentation module of the IOHprofiler project, which aims at providing an easy-to-use and highly customizable toolbox for benchmarking iterative optimization heuristics such as local search, evolutionary and genetic algorithms, Bayesian optimization techniques, etc. IOHexperimenter can be used as a stand-alone tool or as part of a benchmarking pipeline that uses other components of IOHprofiler such as IOHanalyzer, the module for interactive performance analysis and visualization. IOHexperimenter provides an efficient interface between optimization problems and their solvers while allowing for granular logging of the optimization process. These logs are fully compatible with existing tools for interactive data analysis, which significantly speeds up the deployment of a benchmarking pipeline. The main components of IOHexperimenter are the environment to build customized problem suites and the various logging options that allow users to steer the granularity of the data records.

cs.NE↗

arXiv2022

Explainable Artificial Intelligence for Exhaust Gas Temperature of Turbofan Engines

Data-driven modeling is an imperative tool in various industrial applications, including many applications in the sectors of aeronautics and commercial aviation. These models are in charge of providing key insights, such as which parameters are important on a specific measured outcome or which parameter values we should expect to observe given a set of input parameters. At the same time, however, these models rely heavily on assumptions (e.g., stationarity) or are "black box" (e.g., deep neural networks), meaning that they lack interpretability of their internal working and can be viewed only in terms of their inputs and outputs. An interpretable alternative to the "black box" models and with considerably less assumptions is symbolic regression (SR). SR searches for the optimal model structure while simultaneously optimizing the model's parameters without relying on an a-priori model structure. In this work, we apply SR on real-life exhaust gas temperature (EGT) data, collected at high frequencies through the entire flight, in order to uncover meaningful algebraic relationships between the EGT and other measurable engine parameters. The experimental results exhibit promising model accuracy, as well as explainability returning an absolute difference of 3°C compared to the ground truth and demonstrating consistency from an engineering perspective.

cs.LG↗

arXiv2022

Automated Configuration of Genetic Algorithms by Tuning for Anytime Performance

Finding the best configuration of algorithms' hyperparameters for a given optimization problem is an important task in evolutionary computation. We compare in this work the results of four different hyperparameter tuning approaches for a family of genetic algorithms on 25 diverse pseudo-Boolean optimization problems. More precisely, we compare previously obtained results from a grid search with those obtained from three automated configuration techniques: iterated racing, mixed-integer parallel efficient global optimization, and mixed-integer evolutionary strategies. Using two different cost metrics, expected running time and the area under the empirical cumulative distribution function curve, we find that in several cases the best configurations with respect to expected running time are obtained when using the area under the empirical cumulative distribution function curve as the cost metric during the configuration process. Our results suggest that even when interested in expected running time performance, it might be preferable to use anytime performance measures for the configuration task. We also observe that tuning for expected running time is much more sensitive with respect to the budget that is allocated to the target algorithms.

cs.NE↗

arXiv2022

Differential evolution outside the box

This paper investigates how often the popular configurations of Differential Evolution generate solutions outside the feasible domain. Following previous publications in the field, we argue that what the algorithm does with such solutions and how often this has to happen is important for the overall performance of the algorithm and interpretation of results. Based on observations therein, we conclude that significantly more solutions than what is usually assumed by practitioners need to undergo some sort of 'correction' to conform with the definition of the problem's search domain. A wide range of popular Differential Evolution configurations is considered in this study. Conclusions are made regarding the effect the Differential Evolution components and parameter settings have on the distribution of proportions of infeasible solutions generated in a series of independent runs. Results shown in this study suggest strong dependencies between proportions of generated infeasible solutions and every aspect mentioned above. Further investigation of the distribution of proportions of generated infeasible solutions is required.

cs.NE↗

arXiv2022

IOHanalyzer: Detailed Performance Analyses for Iterative Optimization Heuristics

Benchmarking and performance analysis play an important role in understanding the behaviour of iterative optimization heuristics (IOHs) such as local search algorithms, genetic and evolutionary algorithms, Bayesian optimization algorithms, etc. This task, however, involves manual setup, execution, and analysis of the experiment on an individual basis, which is laborious and can be mitigated by a generic and well-designed platform. For this purpose, we propose IOHanalyzer, a new user-friendly tool for the analysis, comparison, and visualization of performance data of IOHs. Implemented in R and C++, IOHanalyzer is fully open source. It is available on CRAN and GitHub. IOHanalyzer provides detailed statistics about fixed-target running times and about fixed-budget performance of the benchmarked algorithms with a real-valued codomain, single-objective optimization tasks. Performance aggregation over several benchmark problems is possible, for example in the form of empirical cumulative distribution functions. Key advantages of IOHanalyzer over other performance analysis packages are its highly interactive design, which allows users to specify the performance measures, ranges, and granularity that are most useful for their experiments, and the possibility to analyze not only performance traces, but also the evolution of dynamic state parameters. IOHanalyzer can directly process performance data from the main benchmarking platforms, including the COCO platform, Nevergrad, the SOS platform, and IOHexperimenter. An R programming interface is provided for users preferring to have a finer control over the implemented functionalities.

cs.NE↗

arXiv2021

Multi-car paint shop optimization with quantum annealing

We present a generalization of the binary paint shop problem (BPSP) to tackle an automotive industry application, the multi-car paint shop (MCPS) problem. The objective of the optimization is to minimize the number of color switches between cars in a paint shop queue during manufacturing, a known NP-hard problem. We distinguish between different sub-classes of paint shop problems, and show how to formulate the basic MCPS problem as an Ising model. The problem instances used in this study are generated using real-world data from a factory in Wolfsburg, Germany. We compare the performance of the D-Wave 2000Q and Advantage quantum processors to other classical solvers and a hybrid quantum-classical algorithm offered by D-Wave Systems. We observe that the quantum processors are well-suited for smaller problems, and the hybrid algorithm for intermediate sizes. However, we find that the performance of these algorithms quickly approaches that of a simple greedy algorithm in the large size limit.

quant-ph↗

arXiv2021

Lifelong Computing

Computing systems form the backbone of many aspects of our life, hence they are becoming as vital as water, electricity, and road infrastructures for our society. Yet, engineering long running computing systems that achieve their goals in ever-changing environments pose significant challenges. Currently, we can build computing systems that adjust or learn over time to match changes that were anticipated. However, dealing with unanticipated changes, such as anomalies, novelties, new goals or constraints, requires system evolution, which remains in essence a human-driven activity. Given the growing complexity of computing systems and the vast amount of highly complex data to process, this approach will eventually become unmanageable. To break through the status quo, we put forward a new paradigm for the design and operation of computing systems that we coin "lifelong computing." The paradigm starts from computing-learning systems that integrate computing/service modules and learning modules. Computing warehouses offer such computing elements together with data sheets and usage guides. When detecting anomalies, novelties, new goals or constraints, a lifelong computing system activates an evolutionary self-learning engine that runs online experiments to determine how the computing-learning system needs to evolve to deal with the changes, thereby changing its architecture and integrating new computing elements from computing warehouses as needed. Depending on the domain at hand, some activities of lifelong computing systems can be supported by humans. We motivate the need for lifelong computing with a future fish farming scenario, outline a blueprint architecture for lifelong computing systems, and highlight key research challenges to realise the vision of lifelong computing.

cs.SE↗

arXiv2021

A Novel Column Generation Heuristic for Airline Crew Pairing Optimization with Large-scale Complex Flight Networks

Crew Pairing Optimization (CPO) is critical for an airlines' business viability, given that the crew operating cost is second only to the fuel cost. CPO aims at generating a set of flight sequences (crew pairings) to cover all scheduled flights, at minimum cost, while satisfying several legality constraints. The state-of-the-art heavily relies on relaxing the underlying Integer Programming Problem into a Linear Programming Problem, which in turn is solved through the Column Generation (CG) technique. However, with the alarmingly expanding airlines' operations, CPO is marred by the curse of dimensionality, rendering the exact CG-implementations obsolete, and necessitating the heuristic-based CG-implementations. Yet, in literature, the much prevalent large-scale complex flight networks involving multiple { crew bases and/or hub-and-spoke sub-networks, largely remain uninvestigated. This paper proposes a novel CG heuristic, which has enabled the in-house development of an Airline Crew Pairing Optimizer (AirCROP). The efficacy of the heuristic/AirCROP has been tested on real-world, large-scale, complex network instances with over 4,200 flights, 15 crew bases, and multiple hub-and-spoke sub-networks (resulting in billion-plus possible pairings). Notably, this paper has a dedicated focus on the proposed CG heuristic (not the entire AirCROP framework) based on balancing random exploration of pairings; exploitation of domain knowledge (on optimal solution features); and utilization of the past computational & search effort through archiving. Though this paper has an airline context, the proposed CG heuristic may find wider applications across different domains, by serving as a template on how to utilize domain knowledge to better tackle combinatorial optimization problems.

math.OC↗

arXiv2021

Addressing the Multiplicity of Solutions in Optical Lens Design as a Niching Evolutionary Algorithms Computational Challenge

Optimal Lens Design constitutes a fundamental, long-standing real-world optimization challenge. Potentially large number of optima, rich variety of critical points, as well as solid understanding of certain optimal designs per simple problem instances, provide altogether the motivation to address it as a niching challenge. This study applies established Niching-CMA-ES heuristic to tackle this design problem (6-dimensional Cooke triplet) in a simulation-based fashion. The outcome of employing Niching-CMA-ES `out-of-the-box' proves successful, and yet it performs best when assisted by a local searcher which accurately drives the search into optima. The obtained search-points are corroborated based upon concrete knowledge of this problem-instance, accompanied by gradient and Hessian calculations for validation. We extensively report on this computational campaign, which overall resulted in (i) the location of 19 out of 21 known minima within a single run, (ii) the discovery of 540 new optima. These are new minima similar in shape to 21 theoretical solutions, but some of them have better merit function value (unknown heretofore), (iii) the identification of numerous infeasibility pockets throughout the domain (also unknown heretofore). We conclude that niching mechanism is well-suited to address this problem domain, and hypothesize on the apparent multidimensional structures formed by the attained new solutions.

cs.CE↗

arXiv2021

Quantum-Assisted Feature Selection for Vehicle Price Prediction Modeling

Within machine learning model evaluation regimes, feature selection is a technique to reduce model complexity and improve model performance in regards to generalization, model fit, and accuracy of prediction. However, the search over the space of features to find the subset of $k$ optimal features is a known NP-Hard problem. In this work, we study metrics for encoding the combinatorial search as a binary quadratic model, such as Generalized Mean Information Coefficient and Pearson Correlation Coefficient in application to the underlying regression problem of price prediction. We investigate trade-offs in the form of run-times and model performance, of leveraging quantum-assisted vs. classical subroutines for the combinatorial search, using minimum redundancy maximal relevancy as the heuristic for our approach. We achieve accuracy scores of 0.9 (in the range of [0,1]) for finding optimal subsets on synthetic data using a new metric that we define. We test and cross-validate predictive models on a real-world problem of price prediction, and show a performance improvement of mean absolute error scores for our quantum-assisted method $(1471.02 \pm{135.6})$, vs. similar methodologies such as recursive feature elimination $(1678.3 \pm{143.7})$. Our findings show that by leveraging quantum-assisted routines we find solutions that increase the quality of predictive model output while reducing the input dimensionality to the learning algorithm on synthetic and real-world data.

cs.LG↗

arXiv2021

Designing Air Flow with Surrogate-assisted Phenotypic Niching

In complex, expensive optimization domains we often narrowly focus on finding high performing solutions, instead of expanding our understanding of the domain itself. But what if we could quickly understand the complex behaviors that can emerge in said domains instead? We introduce surrogate-assisted phenotypic niching, a quality diversity algorithm which allows to discover a large, diverse set of behaviors by using computationally expensive phenotypic features. In this work we discover the types of air flow in a 2D fluid dynamics optimization problem. A fast GPU-based fluid dynamics solver is used in conjunction with surrogate models to accurately predict fluid characteristics from the shapes that produce the air flow. We show that these features can be modeled in a data-driven way while sampling to improve performance, rather than explicitly sampling to improve feature models. Our method can reduce the need to run an infeasibly large set of simulations while still being able to design a large diversity of air flows and the shapes that cause them. Discovering diversity of behaviors helps engineers to better understand expensive domains and their solutions.

cs.NE↗

arXiv2021

An Analysis of Phenotypic Diversity in Multi-Solution Optimization

More and more, optimization methods are used to find diverse solution sets. We compare solution diversity in multi-objective optimization, multimodal optimization, and quality diversity in a simple domain. We show that multiobjective optimization does not always produce much diversity, multimodal optimization produces higher fitness solutions, and quality diversity is not sensitive to genetic neutrality and creates the most diverse set of solutions. An autoencoder is used to discover phenotypic features automatically, producing an even more diverse solution set with quality diversity. Finally, we make recommendations about when to use which approach.

cs.NE↗

arXiv2021

Expressivity of Parameterized and Data-driven Representations in Quality Diversity Search

We consider multi-solution optimization and generative models for the generation of diverse artifacts and the discovery of novel solutions. In cases where the domain's factors of variation are unknown or too complex to encode manually, generative models can provide a learned latent space to approximate these factors. When used as a search space, however, the range and diversity of possible outputs are limited to the expressivity and generative capabilities of the learned model. We compare the output diversity of a quality diversity evolutionary search performed in two different search spaces: 1) a predefined parameterized space and 2) the latent space of a variational autoencoder model. We find that the search on an explicit parametric encoding creates more diverse artifact sets than searching the latent space. A learned model is better at interpolating between known data points than at extrapolating or expanding towards unseen examples. We recommend using a generative model's latent space primarily to measure similarity between artifacts rather than for search and generation. Whenever a parametric encoding is obtainable, it should be preferred over a learned representation as it produces a higher diversity of solutions.

cs.LG↗

arXiv2021

Is there Anisotropy in Structural Bias?

Structural Bias (SB) is an important type of algorithmic deficiency within iterative optimisation heuristics. However, methods for detecting structural bias have not yet fully matured, and recent studies have uncovered many interesting questions. One of these is the question of how structural bias can be related to anisotropy. Intuitively, an algorithm that is not isotropic would be considered structurally biased. However, there have been cases where algorithms appear to only show SB in some dimensions. As such, we investigate whether these algorithms actually exhibit anisotropy, and how this impacts the detection of SB. We find that anisotropy is very rare, and even in cases where it is present, there are clear tests for SB which do not rely on any assumptions of isotropy, so we can safely expand the suite of SB tests to encompass these kinds of deficiencies not found by the original tests. We propose several additional testing procedures for SB detection and aim to motivate further research into the creation of a robust portfolio of tests. This is crucial since no single test will be able to work effectively with all types of SB we identify.

stat.ME↗

arXiv2021

Bayesian Neural Architecture Search using A Training-Free Performance Metric

Recurrent neural networks (RNNs) are a powerful approach for time series prediction. However, their performance is strongly affected by their architecture and hyperparameter settings. The architecture optimization of RNNs is a time-consuming task, where the search space is typically a mixture of real, integer and categorical values. To allow for shrinking and expanding the size of the network, the representation of architectures often has a variable length. In this paper, we propose to tackle the architecture optimization problem with a variant of the Bayesian Optimization (BO) algorithm. To reduce the evaluation time of candidate architectures the Mean Absolute Error Random Sampling (MRS), a training-free method to estimate the network performance, is adopted as the objective function for BO. Also, we propose three fixed-length encoding schemes to cope with the variable-length architecture representation. The result is a new perspective on accurate and efficient design of RNNs, that we validate on three problems. Our findings show that 1) the BO algorithm can explore different network architectures using the proposed encoding schemes and successfully designs well-performing architectures, and 2) the optimization time is significantly reduced by using MRS, without compromising the performance as compared to the architectures obtained from the actual training procedure.

cs.LG↗

arXiv2021

Explorative Data Analysis of Time Series based AlgorithmFeatures of CMA-ES Variants

In this study, we analyze behaviours of the well-known CMA-ES by extracting the time-series features on its dynamic strategy parameters. An extensive experiment was conducted on twelve CMA-ES variants and 24 test problems taken from the BBOB (Black-Box Optimization Bench-marking) testbed, where we used two different cutoff times to stop those variants. We utilized the tsfresh package for extracting the features and performed the feature selection procedure using the Boruta algorithm, resulting in 32 features to distinguish either CMA-ES variants or the problems. After measuring the number of predefined targets reached by those variants, we contrive to predict those measured values on each test problem using the feature. From our analysis, we saw that the features can classify the CMA-ES variants, or the function groups decently, and show a potential for predicting the performance of those variants. We conducted a hierarchical clustering analysis on the test problems and noticed a drastic change in the clustering outcome when comparing the longer cutoff time to the shorter one, indicating a huge change in search behaviour of the algorithm. In general, we found that with longer time series, the predictive power of the time series features increase.

cs.NE↗

arXiv2021

PREPRINT: Comparison of deep learning and hand crafted features for mining simulation data

Computational Fluid Dynamics (CFD) simulations are a very important tool for many industrial applications, such as aerodynamic optimization of engineering designs like cars shapes, airplanes parts etc. The output of such simulations, in particular the calculated flow fields, are usually very complex and hard to interpret for realistic three-dimensional real-world applications, especially if time-dependent simulations are investigated. Automated data analysis methods are warranted but a non-trivial obstacle is given by the very large dimensionality of the data. A flow field typically consists of six measurement values for each point of the computational grid in 3D space and time (velocity vector values, turbulent kinetic energy, pressure and viscosity). In this paper we address the task of extracting meaningful results in an automated manner from such high dimensional data sets. We propose deep learning methods which are capable of processing such data and which can be trained to solve relevant tasks on simulation data, i.e. predicting drag and lift forces applied on an airfoil. We also propose an adaptation of the classical hand crafted features known from computer vision to address the same problem and compare a large variety of descriptors and detectors. Finally, we compile a large dataset of 2D simulations of the flow field around airfoils which contains 16000 flow fields with which we tested and compared approaches. Our results show that the deep learning-based methods, as well as hand crafted feature based approaches, are well-capable to accurately describe the content of the CFD simulation output on the proposed dataset.

cs.CV↗

arXiv2021

Preprint: Norm Loss: An efficient yet effective regularization method for deep neural networks

Convolutional neural network training can suffer from diverse issues like exploding or vanishing gradients, scaling-based weight space symmetry and covariant-shift. In order to address these issues, researchers develop weight regularization methods and activation normalization methods. In this work we propose a weight soft-regularization method based on the Oblique manifold. The proposed method uses a loss function which pushes each weight vector to have a norm close to one, i.e. the weight matrix is smoothly steered toward the so-called Oblique manifold. We evaluate our method on the very popular CIFAR-10, CIFAR-100 and ImageNet 2012 datasets using two state-of-the-art architectures, namely the ResNet and wide-ResNet. Our method introduces negligible computational overhead and the results show that it is competitive to the state-of-the-art and in some cases superior to it. Additionally, the results are less sensitive to hyperparameter settings such as batch size and regularization factor.

cs.CV↗