Towards Recommendations for Value Sensitive Sustainable Consumption

Excessive consumption can strain natural resources, harm the environment, and widen societal gaps. While adopting a more sustainable lifestyle means making significant changes and potentially compromising personal desires, balancing sustainability with personal values poses a complex challenge. This article delves into designing recommender systems using neural networks and genetic algorithms, aiming to assist consumers in shopping sustainably without disregarding their individual preferences. We approach the search for good recommendations as a problem involving multiple objectives, representing diverse sustainability goals and personal values. While using a synthetic historical dataset based on real-world sources, our evaluations reveal substantial environmental benefits without demanding drastic personal sacrifices, even if consumers accept only a fraction of the recommendations

Efficient neural network verification and training

In spite of their highly-publicized achievements in disparate applications, neural networks are yet to be widely deployed in safety-critical applications. In fact, fundamental concerns exist on the robustness, fairness, privacy and explainability of deep learning systems. In this thesis, we strive to increase trust in deep learning systems by presenting contributions pertaining to neural network verification and training. First, by designing dual solvers for popular network relaxations, we provide fast and scalable bounds on neural network outputs. In particular, we present two solvers for the convex hull of element-wise activation functions, and two algorithms for a formulation based on the convex hull of the composition of ReLU activations with the preceding linear layer. We show that these methods are significantly faster than off-the-shelf solvers, and improve on the speed-accuracy trade-offs of previous dual algorithms. In order to efficiently employ them for formal neural network verification, we design a massively parallel Branch-and-Bound framework around the bounding algorithms. Our contributions, which we publicly released as part of the OVAL verification framework, improved on the scalability of existing network verifiers, and proved to be influential for the development of more recent algorithms. Second, we present an intuitive and inexpensive algorithm to train neural networks for verifiability via Branch-and-Bound. Our method is shown to yield state-of-the- art performance on verifying robustness to small adversarial perturbations while reducing the training costs compared to previous algorithms. Finally, we conduct a comprehensive experimental evaluation of specialized training schemes to train networks for multiple tasks at once, showing that they perform on par with a simple baseline. We provide a partial explanation of our surprising results, aiming to stir further research towards the understanding of deep multi-task learning

Scalarized Preferences in Multi-objective Optimization

Multikriterielle Optimierungsprobleme verfügen über keine Lösung, die optimal in jeder Zielfunktion ist. Die Schwierigkeit solcher Probleme liegt darin eine Kompromisslösung zu finden, die den Präferenzen des Entscheiders genügen, der den Kompromiss implementiert. Skalarisierung – die Abbildung des Vektors der Zielfunktionswerte auf eine reelle Zahl – identifiziert eine einzige Lösung als globales Präferenzenoptimum um diese Probleme zu lösen. Allerdings generieren Skalarisierungsmethoden keine zusätzlichen Informationen über andere Kompromisslösungen, die die Präferenzen des Entscheiders bezüglich des globalen Optimums verändern könnten. Um dieses Problem anzugehen stellt diese Dissertation eine theoretische und algorithmische Analyse skalarisierter Präferenzen bereit. Die theoretische Analyse besteht aus der Entwicklung eines Ordnungsrahmens, der Präferenzen als Problemtransformationen charakterisiert, die präferierte Untermengen der Paretofront definieren. Skalarisierung wird als Transformation der Zielmenge in diesem Ordnungsrahmen dargestellt. Des Weiteren werden Axiome vorgeschlagen, die wünschenswerte Eigenschaften von Skalarisierungsfunktionen darstellen. Es wird gezeigt unter welchen Bedingungen existierende Skalarisierungsfunktionen diese Axiome erfüllen. Die algorithmische Analyse kennzeichnet Präferenzen anhand des Resultats, das ein Optimierungsalgorithmus generiert. Zwei neue Paradigmen werden innerhalb dieser Analyse identifiziert. Für beide Paradigmen werden Algorithmen entworfen, die skalarisierte Präferenzeninformationen verwenden: Präferenzen-verzerrte Paretofrontapproximationen verteilen Punkte über die gesamte Paretofront, fokussieren aber mehr Punkte in Regionen mit besseren Skalarisierungswerten; multimodale Präferenzenoptima sind Punkte, die lokale Skalarisierungsoptima im Zielraum darstellen. Ein Drei-Stufen-Algorith\-mus wird entwickelt, der lokale Skalarisierungsoptima approximiert und verschiedene Methoden werden für die unterschiedlichen Stufen evaluiert. Zwei Realweltprobleme werden vorgestellt, die die Nützlichkeit der beiden Algorithmen illustrieren. Das erste Problem besteht darin Fahrpläne für ein Blockheizkraftwerk zu finden, die die erzeugte Elektrizität und Wärme maximieren und den Kraftstoffverbrauch minimiert. Präferenzen-verzerrte Approximationen generieren mehr Energie-effiziente Lösungen, unter denen der Entscheider seine favorisierte Lösung auswählen kann, indem er die Konflikte zwischen den drei Zielen abwägt. Das zweite Problem beschäftigt sich mit der Erstellung von Fahrplänen für Geräte in einem Wohngebäude, so dass Energiekosten, Kohlenstoffdioxidemissionen und thermisches Unbehagen minimiert werden. Es wird gezeigt, dass lokale Skalarisierungsoptima Fahrpläne darstellen, die eine gute Balance zwischen den drei Zielen bieten. Die Analyse und die Experimente, die in dieser Arbeit vorgestellt werden, ermöglichen es Entscheidern bessere Entscheidungen zu treffen indem Methoden angewendet werden, die mehr Optionen generieren, die mit den Präferenzen der Entscheider übereinstimmen

Bayesian optimization in adverse scenarios

Optimization problems with expensive-to-evaluate objective functions are ubiquitous in scientific and industrial settings. Bayesian optimization has gained widespread acclaim for optimizing expensive (and often black box) functions due to its theoretical performance guarantees and empirical sample efficiency in a variety of settings. Nevertheless, many practical scenarios remain where prevailing Bayesian optimization techniques fall short. We consider four such scenarios. First, we formalize the optimization problem where the goal is to identify robust designs with respect to multiple objective functions that are subject to input noise. Such robust design problems frequently arise, for example, in manufacturing settings where fabrication can only be performed with limited precision. We propose a method that identifies a set of optimal robust designs, where each design provides probabilistic guarantees jointly on multiple objectives. Second, we consider sample-efficient high-dimensional multi-objective optimization. This line of research is motivated by the challenging task of designing optical displays for augmented reality to optimize visual quality and efficiency, where the designs are specified by high-dimensional parameterizations governing complex geometries. Our proposed trust-region based algorithm yields order-of-magnitude improvements in sample complexity on this problem. Third, we consider multi-objective optimization of expensive functions with variable-cost, decoupled, and/or multi-fidelity evaluations and propose a Bayes-optimal, non-myopic acquisition function, which significantly improves sample efficiency in scenarios with incomplete information. We apply this to hardware-aware neural architecture search where the objective, on-device latency and model accuracy, can often be evaluated independently. Fourth, we consider the setting where the search space consists of discrete (and potentially continuous) parameters. We propose a theoretically grounded technique that uses a probabilistic reparameterization to transform the discrete or mixed inner optimization problem into a continuous one leading to more effective Bayesian optimization policies. Together, this thesis provides a playbook for Bayesian optimization in several practical adverse scenarios

Advances and applications in high-dimensional heuristic optimization

“Applicable to most real-world decision scenarios, multiobjective optimization is an area of multicriteria decision-making that seeks to simultaneously optimize two or more conflicting objectives. In contrast to single-objective scenarios, nontrivial multiobjective optimization problems are characterized by a set of Pareto optimal solutions wherein no solution unanimously optimizes all objectives. Evolutionary algorithms have emerged as a standard approach to determine a set of these Pareto optimal solutions, from which a decision-maker can select a vetted alternative. While easy to implement and having demonstrated great efficacy, these evolutionary approaches have been criticized for their runtime complexity when dealing with many alternatives or a high number of objectives, effectively limiting the range of scenarios to which they may be applied. This research introduces mechanisms to improve the runtime complexity of many multiobjective evolutionary algorithms, achieving state-of-the-art performance, as compared to many prominent methods from the literature. Further, the investigations here presented demonstrate the capability of multiobjective evolutionary algorithms in a complex, large-scale optimization scenario. Showcasing the approach’s ability to intelligently generate well-performing solutions to a meaningful optimization problem. These investigations advance the concept of multiobjective evolutionary algorithms by addressing a key limitation and demonstrating their efficacy in a challenging real-world scenario. Through enhanced computational efficiency and exhibited specialized application, the utility of this powerful heuristic strategy is made more robust and evident”--Abstract, page iv

Development of advanced thermodynamic models for CO2 absorption: From numerical methods to process modelling

This thesis considers the development of predictive thermodynamic models for amine-based carbon capture processes, motivated by the imminent requirement for the reduction in anthropogenically produced carbon dioxide emissions. In the introduction, we show how the use of molecular-based equations of state, such as SAFT (Statistical Associating Fluid Theory), can be highly effective in this context. Due to the level of molecular detail captured in their theoretical development, one can reduce the reliance on experimental data by transferring their parameters based on sound physical arguments. In particular, the inherent chemical reactions in amine-based carbon dioxide absorption processes can be modelled by a physical association scheme, offering a vast simplification over the conventional treatments. In the following chapter a rate-based absorber model is presented to investigate the reactive capture of carbon dioxide CO2 using aqueous monoethanolamine (MEA) as a solvent. The SAFT-VR SW equation is used as the thermodynamic model. Due to the physical treatment of the reactions, the process model equations only needs to consider the apparent concentrations of the molecular species, while the reactions are implicit in the SAFT equation. With the assumption that the species diffuse as non-associated species, the rate of CO2 absorption is overpredicted, providing an upper bound on the solvent performance. A single parameter is adjusted to the pilot plant data, reflecting the reduction in mass transfer rate in the apparent CO2 in its aggregated form, which is found to be transferable over all of the pilot plant runs. The development of new models for the SAFT- Mie equation is then considered for improvement of the thermodynamic model. This is because the thermodynamic models developed for the SAFT-VR SW (used in the absorber) provide an inaccurate description of the liquid heat capacity and the heat of absorption of CO2. We consider a novel approach to the parameter estimation problem. It is shown that posing the parameter estimation as a multi-objective optimization problem offers numerous advantages over conventional (single-objective optimization) techniques. A robust and efficient algorithm that deals with multiple objective functions is tailored for this purpose. We consider objective functions that characterise the deviation between the SAFT model and experimental measurements for different thermodynamic property types. Using the multi-objective optimization technique we develop SAFT- Mie models for water where saturated liquid denisty, vapour pressure and isobaric heat capacity are treated as competing objectives. A single (non-spherical) model for water is chosen from the Pareto fronts obtained. Next, we develop SAFT- Mie (or SAFT-VR Mie) models for the CO2 + MEA + H2O mixture, with focus on developing models that provide a simultaneous accurate description of the vapour-liquid equilibria and the caloric properties. In comparison with the previous models developed for the SAFT-VR SW equation of state, the new models provide a better description of key thermodynamic properties in the chemisorption process, in particular the vapour pressure of CO2 above v the solvent mixture, the isobaric liquid heat capacity and the heat of absorption. We show that incorporating the new thermodynamic models in our process model for the absorber, we obtain a slightly better prediction of the column temperature profile. In the last chapter we derive a classical density functional theory (DFT) that incorporates the SAFT-VR Mie equation of state (SAFT-VR Mie MF DFT). The proposed method is applicable for a wide variety of fluids, including fluids/ fluid mixtures that consist of associating molecules and molecules of varying chain length. We derive a theory that is numerically tractable and show a novel implementation of the DFT equations in gPROMS. We show that the theory can be used to accurately predict the experimental interfacial tension for the SAFT models developed in this thesis, and the predicted density profiles in the intefacial region compare favourably with molecular simulations. The SAFT-VR Mie MF DFT approach developed in this chapter is used throughout the thesis for validation of the thermodynamic models.Open Acces

Efficient meta-heuristics for spacecraft trajectory optimization

Meta-heuristics has a long tradition in computer science. During the past few years, different types of meta-heuristics, specially evolutionary algorithms got noticeable attention in dealing with real-world optimization problems. Recent advances in this field along with rapid development of high processing computers, make it possible to tackle various engineering optimization problems with relative ease, omitting the barrier of unknown global optimal solutions due to the complexity of the problems. Following this rapid advancements, scientific communities shifted their attention towards the development of novel algorithms and techniques to satisfy their need in optimization. Among different research areas, astrodynamics and space engineering witnessed many trends in evolutionary algorithms for various types of problems. By having a look at the amount of publications regarding the development of meta-heuristics in aerospace sciences, it can be seen that a high amount of efforts are dedicated to develop novel stochastic techniques and more specifically, innovative evolutionary algorithms on a variety of subjects. In the past decade, one of the challenging problems in space engineering, which is tackled mainly by novel evolutionary algorithms by the researchers in the aerospace community is spacecraft trajectory optimization. Spacecraft trajectory optimization problem can be simply described as the discovery of a space trajectory for satellites and space vehicles that satisfies some criteria. While a space vehicle travels in space to reach a destination, either around the Earth or any other celestial body, it is crucial to maintain or change its flight path precisely to reach the desired final destination. Such travels between space orbits, called orbital maneuvers, need to be accomplished, while minimizing some objectives such as fuel consumption or the transfer time. In the engineering point of view, spacecraft trajectory optimization can be described as a black-box optimization problem, which can be constrained or unconstrained, depending on the formulation of the problem. In order to clarify the main motivation of the research in this thesis, first, it is necessary to discuss the status of the current trends in the development of evolutionary algorithms and tackling spacecraft trajectory optimization problems. Over the past decade, numerous research are dedicated to these subjects, mainly from two groups of scientific communities. The first group is the space engineering community. Having an overall look into the publications confirms that the focus in the developed methods in this group is mainly regarding the mathematical modeling and numerical approaches in dealing with spacecraft trajectory optimization problems. The majority of the strategies interact with mixed concepts of semi-analytical methods, discretization, interpolation and approximation techniques. When it comes to optimization, usually traditional algorithms are utilized and less attention is paid to the algorithm development. In some cases, researchers tried to tune the algorithms and make them more efficient. However, their efforts are mainly based on try-and-error and repetitions rather than analyzing the landscape of the optimization problem. The second group is the computer science community. Unlike the first group, the majority of the efforts in the research from this group has been dedicated to algorithm development, rather than developing novel techniques and approaches in trajectory optimization such as interpolation and approximation techniques. Research in this group generally ends in very efficient and robust optimization algorithms with high performance. However, they failed to put their algorithms in challenge with complex real-world optimization problems, with novel ideas as their model and approach. Instead, usually the standard optimization benchmark problems are selected to verify the algorithm performance. In particular, when it comes to solve a spacecraft trajectory optimization problem, this group mainly treats the problem as a black-box with not much concentration on the mathematical model or the approximation techniques. Taking into account the two aforementioned research perspectives, it can be seen that there is a missing link between these two schemes in dealing with spacecraft trajectory optimization problems. On one hand, we can see noticeable advances in mathematical models and approximation techniques on this subject, but with no efforts on the optimization algorithms. On the other hand, we have newly developed evolutionary algorithms for black-box optimization problems, which do not take advantage of novel approaches to increase the efficiency of the optimization process. In other words, there seems to be a missing connection between the characteristics of the problem in spacecraft trajectory optimization, which controls the shape of the solution domain, and the algorithm components, which controls the efficiency of the optimization process. This missing connection motivated us in developing efficient meta-heuristics for solving spacecraft trajectory optimization problems. By having the knowledge about the type of space mission, the features of the orbital maneuver, the mathematical modeling of the system dynamics, and the features of the employed approximation techniques, it is possible to adapt the performance of the algorithms. Knowing these features of the spacecraft trajectory optimization problem, the shape of the solution domain can be realized. In other words, it is possible to see how sensitive the problem is relative to each of its feature. This information can be used to develop efficient optimization algorithms with adaptive mechanisms, which take advantage of the features of the problem to conduct the optimization process toward better solutions. Such flexible adaptiveness, makes the algorithm robust to any changes of the space mission features. Therefore, within the perspective of space system design, the developed algorithms will be useful tools for obtaining optimal or near-optimal transfer trajectories within the conceptual and preliminary design of a spacecraft for a space mission. Having this motivation, the main goal in this research was the development of efficient meta-heuristics for spacecraft trajectory optimization. Regarding the type of the problem, we focused on space rendezvous problems, which covers the majority of orbital maneuvers, including long-range and short-range space rendezvous. Also, regarding the meta-heuristics, we concentrated mainly on evolutionary algorithms based on probabilistic modeling and hybridization. Following the research, two algorithms have been developed. First, a hybrid self adaptive evolutionary algorithm has been developed for multi-impulse long-range space rendezvous problems. The algorithm is a hybrid method, combined with auto-tuning techniques and an individual refinement procedure based on probabilistic distribution. Then, for the short-range space rendezvous trajectory optimization problems, an estimation of distribution algorithm with feasibility conserving mechanisms for constrained continuous optimization is developed. The proposed mechanisms implement seeding, learning and mapping methods within the optimization process. They include mixtures of probabilistic models, outlier detection algorithms and some heuristic techniques within the mapping process. Parallel to the development of algorithms, a simulation software is also developed as a complementary application. This tool is designed for visualization of the obtained results from the experiments in this research. It has been used mainly to obtain high-quality illustrations while simulating the trajectory of the spacecraft within the orbital maneuvers.La Caixa TIN2016-78365R PID2019-1064536A-I00 Basque Government consolidated groups 2019-2021 IT1244-1

Efficient meta-heuristics for spacecraft trajectory optimization

190 p.Uno de los problemas más difíciles de la ingeniería espacial es la optimización de la trayectoria de las naves espaciales. Dicha optimización puede formularse como un problema de optimización que dependiendo del tipo de trayectoria, puede contener además restricciones de diversa índole. El principal objetivo de esta tesis fue el desarrollo de algoritmos metaheurísticos eficientes para la optimización de la trayectoria de las naves espaciales. Concretamente, nos hemos centrado en plantear soluciones a maniobras de naves espaciales que contemplan cambios de orbitas de largo y coto alcance. En lo que respecta a la investigación llevada a cabo, inicialmente se ha realizado una revisión de estado del arte sobre optimización de cambios de orbitas de naves espaciales. Según el estudio realizado, la optimización de trayectorias para el cambio de orbitas cuenta con cuatro claves, que incluyen la modelización matemática del problema, la definición de las funciones objetivo, el diseño del enfoque a utilizar y la obtención de la solución del problema. Una vez realizada la revisión del estado del arte, se han desarrollado dos algoritmos metaheurísticos. En primer lugar, se ha desarrollado un algoritmo evolutivo híbrido auto-adaptativo para problemas de cambio de orbitas de largo alcance y multi-impulso. El algoritmo es un método híbrido, combinado con técnicas de autoajuste y un procedimiento derefinamiento individual basado en el uso de distribuciones de probabilidad. Posteriormente, en lo que respecta a los problemas de optimización de trayectoria de los encuentros espaciales de corto alcance, se desarrolla un algoritmo de estimación de distribuciones con mecanismos de conservación de viabilidad. Los mecanismos propuestos aplican métodos innovadores de inicialización, aprendizaje y mapeo dentro del proceso de optimización. Incluyen mixturas de modelos probabilísticos, algoritmos de detección de soluciones atípicas y algunas técnicas heurísticas dentro del proceso de mapeo. Paralelamente al desarrollo de los algoritmos, se ha desarrollado un software de simulación para la visualización de los resultados obtenidos en el cambio de orbitas de las naves espaciales