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Bayesian optimization has been successfully applied throughout Chemical Engineering for the optimization of functions that are expensive-to-evaluate, or where gradients are not easily obtainable. However, domain experts often possess…

Human-Computer Interaction · Computer Science 2024-04-18 Tom Savage , Ehecatl Antonio del Rio Chanona

Bayesian optimization has shown to be a fundamental global optimization algorithm in many applications: ranging from automatic machine learning, robotics, reinforcement learning, experimental design, simulations, etc. The most popular and…

Machine Learning · Computer Science 2015-06-09 Ruben Martinez-Cantin

We introduce a methodology for nonlinear inverse problems using a variational Bayesian approach where the unknown quantity is a spatial field. A structured Bayesian Gaussian process latent variable model is used both to construct a…

Machine Learning · Statistics 2019-02-20 Steven Atkinson , Nicholas Zabaras

Optimization of product and system characteristics is required in many fields, including design and control. Bayesian optimization (BO) is often used when there are high observing costs, because BO theoretically guarantees an upper bound on…

Machine Learning · Computer Science 2024-03-26 Yasunori Taguchi , Hiro Gangi

Traditionally, Bayesian network structure learning is often carried out at a central site, in which all data is gathered. However, in practice, data may be distributed across different parties (e.g., companies, devices) who intend to…

Machine Learning · Computer Science 2022-04-05 Ignavier Ng , Kun Zhang

Bayesian Optimisation (BO) is a state-of-the-art global optimisation technique for black-box problems where derivative information is unavailable, and sample efficiency is crucial. However, improving the general scalability of BO has proved…

Optimization and Control · Mathematics 2024-12-13 Luo Long , Coralia Cartis , Paz Fink Shustin

Bayesian optimization is a natural candidate for the engineering of antibody therapeutic properties, which is often iterative and expensive. However, finding the optimal choice of surrogate model for optimization over the highly structured…

While Weighted Lasso sparse regression has appealing statistical guarantees that would entail a major real-world impact in finance, genomics, and brain imaging applications, it is typically scarcely adopted due to its complex…

Machine Learning · Computer Science 2022-06-13 Kenan Šehić , Alexandre Gramfort , Joseph Salmon , Luigi Nardi

Bayesian optimisation (BO) is a standard approach for sample-efficient global optimisation of expensive black-box functions, yet its scalability to high dimensions remains challenging. Here, we investigate nonlinear dimensionality reduction…

Optimization and Control · Mathematics 2025-10-20 Luo Long , Coralia Cartis , Paz Fink Shustin

Complex system design problems, such as those involved in aerospace engineering, require the use of numerically costly simulation codes in order to predict the performance of the system to be designed. In this context, these codes are often…

Optimization and Control · Mathematics 2024-02-14 Loic Brevault , Mathieu Balesdent

Bayesian optimization has been challenged by datasets with large-scale, high-dimensional, and non-stationary characteristics, which are common in real-world scenarios. Recent works attempt to handle such input by applying neural networks…

Machine Learning · Computer Science 2022-03-17 Fengxue Zhang , Brian Nord , Yuxin Chen

In this paper we present several novel efficient techniques and multidimensional data structures which can improve the decision making process in many domains. We consider online range aggregation, range selection and range weighted median…

Computational Geometry · Computer Science 2010-01-12 Madalina Ecaterina Andreica , Mugurel Ionut Andreica , Nicolae Cataniciu

Bayesian optimization (BO) is a popular paradigm for global optimization of expensive black-box functions, but there are many domains where the function is not completely a black-box. The data may have some known structure (e.g. symmetries)…

Machine Learning · Computer Science 2022-12-08 Samuel Kim , Peter Y. Lu , Charlotte Loh , Jamie Smith , Jasper Snoek , Marin Soljačić

High-dimensional problems have long been considered the Achilles' heel of Bayesian optimization algorithms. Spurred by the curse of dimensionality, a large collection of algorithms aim to make it more performant in this setting, commonly by…

Machine Learning · Computer Science 2024-12-13 Carl Hvarfner , Erik Orm Hellsten , Luigi Nardi

This thesis responds to the challenges of using a large number, such as thousands, of features in regression and classification problems. There are two situations where such high dimensional features arise. One is when high dimensional…

Machine Learning · Statistics 2007-09-20 Longhai Li

We propose randomized subspace gradient methods for high-dimensional constrained optimization. While there have been similarly purposed studies on unconstrained optimization problems, there have been few on constrained optimization problems…

Optimization and Control · Mathematics 2023-07-10 Ryota Nozawa , Pierre-Louis Poirion , Akiko Takeda

This PhD thesis presents a distributional view of optimization in place of a worst-case perspective. We motivate this view with an investigation of the failure point of classical optimization. Subsequently we consider the optimization of a…

Optimization and Control · Mathematics 2025-07-23 Felix Benning

In recent years, to improve the evolutionary algorithms used to solve optimization problems involving a large number of decision variables, many attempts have been made to simplify the problem solution space of a given problem for the…

Neural and Evolutionary Computing · Computer Science 2021-02-25 Liang Feng , Qingxia Shang , Yaqing Hou , Kay Chen Tan , Yew-Soon Ong

The human intrinsic desire to pursue knowledge, also known as curiosity, is considered essential in the process of skill acquisition. With the aid of artificial curiosity, we could equip current techniques for control, such as Reinforcement…

Machine Learning · Computer Science 2022-02-24 Pietro Mazzaglia , Ozan Catal , Tim Verbelen , Bart Dhoedt

Joint modeling of spatially-oriented dependent variables is commonplace in the environmental sciences, where scientists seek to estimate the relationships among a set of environmental outcomes accounting for dependence among these outcomes…

Methodology · Statistics 2021-03-22 Lu Zhang , Sudipto Banerjee , Andrew O. Finley