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The traditional framework for feature selection treats all features as costing the same amount. However, in reality, a scientist often has considerable discretion regarding which variables to measure, and the decision involves a tradeoff…

Methodology · Statistics 2023-02-14 Guo Yu , Daniela Witten , Jacob Bien

We consider black-box global optimization of time-consuming-to-evaluate functions on behalf of a decision-maker (DM) whose preferences must be learned. Each feasible design is associated with a time-consuming-to-evaluate vector of…

Machine Learning · Statistics 2020-03-05 Raul Astudillo , Peter I. Frazier

Consider a hiring process with candidates coming from different universities. It is easy to order candidates with the same background, yet it can be challenging to compare them otherwise. The latter case requires additional costly…

Computer Science and Game Theory · Computer Science 2024-11-19 Ziyad Benomar , Evgenii Chzhen , Nicolas Schreuder , Vianney Perchet

Hyperparameter optimization and neural architecture search can become prohibitively expensive for regular black-box Bayesian optimization because the training and evaluation of a single model can easily take several hours. To overcome this,…

Bayesian optimization (BO) is an effective paradigm for the optimization of expensive-to-sample systems. Standard BO learns the performance of a system $f(x)$ by using a Gaussian Process (GP) model; this treats the system as a black-box and…

Machine Learning · Statistics 2025-01-03 Leonardo D. González , Victor M. Zavala

Variational quantum algorithms (VQA) have emerged as a promising quantum alternative for solving optimization and machine learning problems using parameterized quantum circuits (PQCs). The design of these circuits influences the ability of…

Quantum Physics · Physics 2024-04-18 Alexander Benítez-Buenache , Queralt Portell-Montserrat

The arrival of AI techniques in computations, with the potential for hallucinations and non-robustness, has made trustworthiness of algorithms a focal point. However, trustworthiness of the many classical approaches are not well understood.…

Optimization and Control · Mathematics 2023-12-19 Alexander Bastounis , Felipe Cucker , Anders C. Hansen

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

Algorithm evaluation and comparison are fundamental questions in machine learning and statistics -- how well does an algorithm perform at a given modeling task, and which algorithm performs best? Many methods have been developed to assess…

Statistics Theory · Mathematics 2025-11-25 Yuetian Luo , Rina Foygel Barber

Bayesian optimisation is an adaptive sampling strategy for constructing a Gaussian process surrogate to efficiently search for the global minimum of a black-box computational model. Gaussian processes have limited applicability in…

Applications · Statistics 2025-12-04 Thomas A. Archbold , Ieva Kazlauskaite , Fehmi Cirak

Population-based evolutionary algorithms are often considered when approaching computationally expensive black-box optimization problems. They employ a selection mechanism to choose the best solutions from a given population after comparing…

Neural and Evolutionary Computing · Computer Science 2024-01-30 Judith Echevarrieta , Etor Arza , Aritz Pérez

Bayesian optimization (BO) is a powerful approach for seeking the global optimum of expensive black-box functions and has proven successful for fine tuning hyper-parameters of machine learning models. However, BO is practically limited to…

Machine Learning · Statistics 2020-09-28 Riccardo Moriconi , Marc P. Deisenroth , K. S. Sesh Kumar

Instance-specific algorithm selection (AS) deals with the automatic selection of an algorithm from a fixed set of candidates most suitable for a specific instance of an algorithmic problem class, where "suitability" often refers to an…

Machine Learning · Computer Science 2020-11-18 Alexander Tornede , Marcel Wever , Eyke Hüllermeier

The recently proposed MA-BBOB function generator provides a way to create numerical black-box benchmark problems based on the well-established BBOB suite. Initial studies on this generator highlighted its ability to smoothly transition…

Neural and Evolutionary Computing · Computer Science 2024-04-12 Konstantin Dietrich , Diederick Vermetten , Carola Doerr , Pascal Kerschke

Computational models in fields such as computational neuroscience are often evaluated via stochastic simulation or numerical approximation. Fitting these models implies a difficult optimization problem over complex, possibly noisy parameter…

Machine Learning · Statistics 2017-11-03 Luigi Acerbi , Wei Ji Ma

Optimizing expensive to evaluate black-box functions over an input space consisting of all permutations of d objects is an important problem with many real-world applications. For example, placement of functional blocks in hardware design…

Machine Learning · Computer Science 2021-12-03 Aryan Deshwal , Syrine Belakaria , Janardhan Rao Doppa , Dae Hyun Kim

Bayesian optimization (BO) developed as an approach for the efficient optimization of expensive black-box functions without gradient information. A typical BO paper introduces a new approach and compares it to some alternatives on simulated…

Computation · Statistics 2023-10-17 Jiajie Kong , Tony Pourmohamad , Herbert K. H. Lee

Bayesian Optimization (BO) is a method for globally optimizing black-box functions. While BO has been successfully applied to many scenarios, developing effective BO algorithms that scale to functions with high-dimensional domains is still…

Machine Learning · Computer Science 2024-02-13 Yihang Shen , Carl Kingsford

Building on the view of machine learning as search, we demonstrate the necessity of bias in learning, quantifying the role of bias (measured relative to a collection of possible datasets, or more generally, information resources) in…

Machine Learning · Computer Science 2019-07-16 George D. Montanez , Jonathan Hayase , Julius Lauw , Dominique Macias , Akshay Trikha , Julia Vendemiatti

We consider the problem of optimising an expensive-to-evaluate grey-box objective function, within a finite budget, where known side-information exists in the form of the causal structure between the design variables. Standard black-box…

Artificial Intelligence · Computer Science 2023-09-06 Kim Hammar , Neil Dhir
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