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Multi-objective optimization is a widely studied problem in diverse fields, such as engineering and finance, that seeks to identify a set of non-dominated solutions that provide optimal trade-offs among competing objectives. However, the computation of the entire Pareto front can become prohibitively expensive, both in terms of computational resources and time, particularly when dealing with a large number of objectives. In practical applications, decision-makers (DMs) will select a single solution of the Pareto front that aligns with their preferences to be implemented; thus, traditional multi-objective algorithms invest a lot of budget sampling solutions that are not interesting for the DM. In this paper, we propose two novel algorithms that employ Gaussian Processes and advanced discretization methods to efficiently locate the most preferred region of the Pareto front in expensive-to-evaluate problems. Our approach involves interacting with the decision-maker to guide the optimization process towards their preferred trade-offs. Our experimental results demonstrate that our proposed algorithms are effective in finding non-dominated solutions that align with the decision-maker's preferences while maintaining computational efficiency., Comment: This paper has been accepted at ECML PKDD 2023 workshop: Neuro-Explicit AI and Expert-informed Machine Learning for Engineering and Physical Sciences

We present Parallel Feasible Pareto Frontier Entropy Search ($\{\text{PF}\}^2$ES) -- a novel information-theoretic acquisition function for multi-objective Bayesian optimization supporting unknown constraints and batch query. Due to the complexity of characterizing the mutual information between candidate evaluations and (feasible) Pareto frontiers, existing approaches must either employ crude approximations that significantly hamper their performance or rely on expensive inference schemes that substantially increase the optimization's computational overhead. By instead using a variational lower bound, $\{\text{PF}\}^2$ES provides a low-cost and accurate estimate of the mutual information. We benchmark $\{\text{PF}\}^2$ES against other information-theoretic acquisition functions, demonstrating its competitive performance for optimization across synthetic and real-world design problems.

Sleep apnea is a common respiratory disorder characterized by breathing pauses during the night. Consequences of untreated sleep apnea can be severe. Still, many people remain undiagnosed due to shortages of hospital beds and trained sleep technicians. To assist in the diagnosis process, automated detection methods are being developed. Recent works have demonstrated that deep learning models can extract useful information from raw respiratory data and that such models can be used as a robust sleep apnea detector. However, trained sleep technicians take into account multiple sensor signals when annotating sleep recordings instead of relying on a single respiratory estimate. To improve the predictive performance and reliability of the models, early and late sensor fusion methods are explored in this work. In addition, a novel late sensor fusion method is proposed which uses backward shortcut connections to improve the learning of the first stages of the models. The performance of these fusion methods is analyzed using CNN as well as LSTM deep learning base-models. The results demonstrate a significant and consistent improvement in predictive performance over the single sensor methods and over the other explored sensor fusion methods, by using the proposed sensor fusion method with backward shortcut connections., Comment: Paper presented at ML4H (Machine Learning for Health) workshop at NeurIPS 2019. https://ml4health.github.io/2019/

Electrocardiogram signals are omnipresent in medicine. A vital aspect in the analysis of this data is the identification and classification of heart beat types which is often done through automated algorithms. Advancements in neural networks and deep learning have led to a high classification accuracy. However, the final adoption of these models into clinical practice is limited due to the black-box nature of the methods. In this work, we explore the use of variational auto-encoders based on linear dense networks to learn human interpretable beat embeddings in time-series data. We demonstrate that using this method, an interpretable and explainable ECG beat space can be generated, set up by characteristic base beats., Comment: Machine Learning for Health (ML4H) at NeurIPS 2019 - Extended Abstract. Extended abstract based on previously published research: Van Steenkiste, Tom, Dirk Deschrijver, and Tom Dhaene. "Interpretable ECG Beat Embedding using Disentangled Variational Auto-Encoders." In 2019 IEEE 32nd International Symposium on Computer-Based Medical Systems (CBMS), pp. 373-378. IEEE, 2019

A novel Python framework for Bayesian optimization known as GPflowOpt is introduced. The package is based on the popular GPflow library for Gaussian processes, leveraging the benefits of TensorFlow including automatic differentiation, parallelization and GPU computations for Bayesian optimization. Design goals focus on a framework that is easy to extend with custom acquisition functions and models. The framework is thoroughly tested and well documented, and provides scalability. The current released version of GPflowOpt includes some standard single-objective acquisition functions, the state-of-the-art max-value entropy search, as well as a Bayesian multi-objective approach. Finally, it permits easy use of custom modeling strategies implemented in GPflow.

Simulations are becoming ever more common as a tool for designing complex products. Sensitivity analysis techniques can be applied to these simulations to gain insight, or to reduce the complexity of the problem at hand. However, these simulators are often expensive to evaluate and sensitivity analysis typically requires a large amount of evaluations. Metamodeling has been successfully applied in the past to reduce the amount of required evaluations for design tasks such as optimization and design space exploration. In this paper, we propose a novel sensitivity analysis algorithm for variance and derivative based indices using sequential sampling and metamodeling. Several stopping criteria are proposed and investigated to keep the total number of evaluations minimal. The results show that both variance and derivative based techniques can be accurately computed with a minimal amount of evaluations using fast metamodels and FLOLA-Voronoi or density sequential sampling algorithms., Comment: proceedings of winter simulation conference 2016

The presence of bacteria or fungi in the bloodstream of patients is abnormal and can lead to life-threatening conditions. A computational model based on a bidirectional long short-term memory artificial neural network, is explored to assist doctors in the intensive care unit to predict whether examination of blood cultures of patients will return positive. As input it uses nine monitored clinical parameters, presented as time series data, collected from 2177 ICU admissions at the Ghent University Hospital. Our main goal is to determine if general machine learning methods and more specific, temporal models, can be used to create an early detection system. This preliminary research obtains an area of 71.95% under the precision recall curve, proving the potential of temporal neural networks in this context.

Student-$t$ processes have recently been proposed as an appealing alternative non-parameteric function prior. They feature enhanced flexibility and predictive variance. In this work the use of Student-$t$ processes are explored for multi-objective Bayesian optimization. In particular, an analytical expression for the hypervolume-based probability of improvement is developed for independent Student-$t$ process priors of the objectives. Its effectiveness is shown on a multi-objective optimization problem which is known to be difficult with traditional Gaussian processes., Comment: 5 pages, 3 figures

When approximating a black-box function, sampling with active learning focussing on regions with non-linear responses tends to improve accuracy. We present the FLOLA-Voronoi method introduced previously for deterministic responses, and theoretically derive the impact of output uncertainty. The algorithm automatically puts more emphasis on exploration to provide more information to the models.

A novel efficient method for computing the Knowledge-Gradient policy for Continuous Parameters (KGCP) for deterministic optimization is derived. The differences with Expected Improvement (EI), a popular choice for Bayesian optimization of deterministic engineering simulations, are explored. Both policies and the Upper Confidence Bound (UCB) policy are compared on a number of benchmark functions including a problem from structural dynamics. It is empirically shown that KGCP has similar performance as the EI policy for many problems, but has better convergence properties for complex (multi-modal) optimization problems as it emphasizes more on exploration when the model is confident about the shape of optimal regions. In addition, the relationship between Maximum Likelihood Estimation (MLE) and slice sampling for estimation of the hyperparameters of the underlying models, and the complexity of the problem at hand, is studied.