Timo M. Deist’s research while affiliated with Centrum Wiskunde & Informatica and other places

Optimisation algorithms are commonly compared on benchmarks to get insight into performance differences. However, it is not clear how closely benchmarks match the properties of real-world problems because these properties are largely unknown. This work investigates the properties of real-world problems through a questionnaire to enable the design of future benchmark problems that more closely resemble those found in the real world. The results, while not representative as they are based on only 45 responses, indicate that many problems possess at least one of the following properties: they are constrained, deterministic, have only continuous variables, require substantial computation times for both the objectives and the constraints, or allow a limited number of evaluations. Properties like known optimal solutions and analytical gradients are rarely available, limiting the options in guiding the optimisation process. These are all important aspects to consider when designing realistic benchmark problems. At the same time, the design of realistic benchmarks is difficult, because objective functions are often reported to be black-box and many problem properties are unknown. To further improve the understanding of real-world problems, readers working on a real-world optimisation problem are encouraged to fill out the questionnaire: https://tinyurl.com/opt-survey.KeywordsReal-world optimisation problemsProblem propertiesQuestionnaireBenchmarking

Real-world problems are often multi-objective, with decision-makers unable to specify a priori which trade-off between the conflicting objectives is preferable. Intuitively, building machine learning solutions in such cases would entail providing multiple predictions that span and uniformly cover the Pareto front of all optimal trade-off solutions. We propose a novel approach for multi-objective training of neural networks to approximate the Pareto front during inference. In our approach, we train the neural networks multi-objectively using a dynamic loss function, wherein each network’s losses (corresponding to multiple objectives) are weighted by their hypervolume maximizing gradients. Experiments on different multi-objective problems show that our approach returns well-spread outputs across different trade-offs on the approximated Pareto front without requiring the trade-off vectors to be specified a priori. Further, results of comparisons with the state-of-the-art approaches highlight the added value of our proposed approach, especially in cases where the Pareto front is asymmetric.

Evolutionary algorithms (EAs) are well-known to be well suited for multi-objective (MO) optimization. However, especially in the case of real-valued variables, classic domination-based approaches are known to lose selection pressure when approaching the Pareto set. Indicator-based approaches, such as optimizing the uncrowded hypervolume (UHV), can overcome this issue and ensure that individual solutions converge to the Pareto set. Recently, a gradient-based UHV algorithm, known as UHV-ADAM, was shown to be more efficient than (UHV-based) EAs if few local optima are present. Combining the two techniques could exploit synergies, i.e., the EA could be leveraged to avoid local optima while the efficiency of gradient algorithms could speed up convergence to the Pareto set. It is a priori however not clear what would be the best way to make such a combination. In this work, therefore, we study the use of a dynamic resource allocation scheme to create hybrid UHV-based algorithms. On several bi-objective benchmarks, we find that the hybrid algorithms produce similar or better results than the EA or gradient-based algorithm alone, even when finite differences are used to approximate gradients. The implementation of the hybrid algorithm is available at https://github.com/damyha/uncrowded-hypervolume.

Real-world problems are often multi-objective with decision-makers unable to specify a priori which trade-off between the conflicting objectives is preferable. Intuitively, building machine learning solutions in such cases would entail providing multiple predictions that span and uniformly cover the Pareto front of all optimal trade-off solutions. We propose a novel learning approach to estimate the Pareto front by maximizing the dominated hypervolume (HV) of the average loss vectors corresponding to a set of learners, leveraging established multi-objective optimization methods. In our approach, the set of learners are trained multi-objectively with a dynamic loss function, wherein each learner's losses are weighted by their HV maximizing gradients. Consequently, the learners get trained according to different trade-offs on the Pareto front, which otherwise is not guaranteed for fixed linear scalarizations or when optimizing for specific trade-offs per learner without knowing the shape of the Pareto front. Experiments on three different multi-objective tasks show that the outputs of the set of learners are indeed well-spread on the Pareto front. Further, the outputs corresponding to validation samples are also found to closely follow the trade-offs that were learned from training samples for our set of benchmark problems.

Optimisation algorithms are commonly compared on benchmarks to get insight into performance differences. However, it is not clear how closely benchmarks match the properties of real-world problems because these properties are largely unknown. This work investigates the properties of real-world problems through a questionnaire to enable the design of future benchmark problems that more closely resemble those found in the real world. The results, while not representative, show that many problems possess at least one of the following properties: they are constrained, deterministic, have only continuous variables, require substantial computation times for both the objectives and the constraints, or allow a limited number of evaluations. Properties like known optimal solutions and analytical gradients are rarely available, limiting the options in guiding the optimisation process. These are all important aspects to consider when designing realistic benchmark problems. At the same time, objective functions are often reported to be black-box and since many problem properties are unknown the design of realistic benchmarks is difficult. To further improve the understanding of real-world problems, readers working on a real-world optimisation problem are encouraged to fill out the questionnaire: https://tinyurl.com/opt-survey

Evolutionary algorithms (EAs) are the preferred method for solving black-box multi-objective optimization problems, but when gradients of the objective functions are available, it is not straightforward to exploit these efficiently. By contrast, gradient-based optimization is well-established for single-objective optimization. A single-objective reformulation of the multi-objective problem could therefore offer a solution. Of particular interest to this end is the recently introduced uncrowded hypervolume (UHV) indicator, which is Pareto compliant and also takes into account dominated solutions. In this work, we show that the gradient of the UHV can often be computed, which allows for a direct application of gradient ascent algorithms. We compare this new approach with two EAs for UHV optimization as well as with one gradient-based algorithm for optimizing the well-established hypervolume. On several bi-objective benchmarks, we find that gradient-based algorithms outperform the tested EAs by obtaining a better hypervolume with fewer evaluations whenever exact gradients of the multiple objective functions are available and in case of small evaluation budgets. For larger budgets, however, EAs perform similarly or better. We further find that, when finite differences are used to approximate the gradients of the multiple objectives, our new gradient-based algorithm is still competitive with EAs in most considered benchmarks. Implementations are available at https://github.com/scmaree/uncrowded-hypervolume.

Evolutionary algorithms (EAs) are the preferred method for solving black-box multi-objective optimization problems, but when gradients of the objective functions are available, it is not straightforward to exploit these efficiently. By contrast, gradient-based optimization is well-established for single-objective optimization. A single-objective reformulation of the multi-objective problem could therefore offer a solution. Of particular interest to this end is the recently introduced uncrowded hypervolume (UHV) indicator, which is Pareto compliant and also takes into account dominated solutions. In this work, we show that the gradient of the UHV can often be computed, which allows for a direct application of gradient ascent algorithms. We compare this new approach with two EAs for UHV optimization as well as with one gradient-based algorithm for optimizing the well-established hypervolume. On several bi-objective benchmarks, we find that gradient-based algorithms outperform the tested EAs by obtaining a better hypervolume with fewer evaluations whenever exact gradients of the multiple objective functions are available and in case of small evaluation budgets. For larger budgets, however, EAs perform similarly or better. We further find that, when finite differences are used to approximate the gradients of the multiple objectives, our new gradient-based algorithm is still competitive with EAs in most considered benchmarks. Implementations are available at https://github.com/scmaree/uncrowded-hypervolume

Benchmarks are a useful tool for empirical performance comparisons. However, one of the main shortcomings of existing benchmarks is that it remains largely unclear how they relate to real-world problems. What does an algorithm’s performance on a benchmark say about its potential on a specific real-world problem? This work aims to identify properties of real-world problems through a questionnaire on real-world single-, multi-, and many-objective optimization problems. Based on initial responses, a few challenges that have to be considered in the design of realistic benchmarks can already be identified. A key point for future work is to gather more responses to the questionnaire to allow an analysis of common combinations of properties. In turn, such common combinations can then be included in improved benchmark suites. To gather more data, the reader is invited to participate in the questionnaire at: https://tinyurl.com/opt-survey

Benchmarks are a useful tool for empirical performance comparisons. However, one of the main shortcomings of existing benchmarks is that it remains largely unclear how they relate to real-world problems. What does an algorithm’s performance on a benchmark say about its potential on a specific real-world problem? This work aims to identify properties of real-world problems through a questionnaire on real-world single-, multi-, and many-objective optimization problems. Based on initial responses, a few challenges that have to be considered in the design of realistic benchmarks can already be identified. A key point for future work is to gather more responses to the questionnaire to allow an analysis of common combinations of properties. In turn, such common combinations can then be included in improved benchmark suites. To gather more data, the reader is invited to participate in the questionnaire at: https://tinyurl.com/opt-survey