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Performance complementarity of solvers available to tackle black-box optimization problems gives rise to the important task of algorithm selection (AS). Automated AS approaches can help replace tedious and labor-intensive manual selection,…

Neural and Evolutionary Computing · Computer Science 2023-07-03 Ana Kostovska , Anja Jankovic , Diederick Vermetten , Sašo Džeroski , Tome Eftimov , Carola Doerr

We develop a new method HTBB for the multidimensional black-box approximation and gradient-free optimization, which is based on the low-rank hierarchical Tucker decomposition with the use of the MaxVol indices selection procedure. Numerical…

Machine Learning · Computer Science 2024-02-06 Gleb Ryzhakov , Andrei Chertkov , Artem Basharin , Ivan Oseledets

Bayesian Optimization (BO) is a class of black-box, surrogate-based heuristics that can efficiently optimize problems that are expensive to evaluate, and hence admit only small evaluation budgets. BO is particularly popular for solving…

Machine Learning · Computer Science 2024-06-25 Maria Laura Santoni , Elena Raponi , Renato De Leone , Carola Doerr

Rigorous performance evaluation is essential for developing robust algorithms for high-throughput computational chemistry. Traditional benchmarking, however, often struggles to account for system-specific variability, making it difficult to…

Chemical Physics · Physics 2026-03-09 Rohit Goswami

Bayesian optimization (BO) has become popular for sequential optimization of black-box functions. When BO is used to optimize a target function, we often have access to previous evaluations of potentially related functions. This begs the…

Machine Learning · Computer Science 2022-06-17 Zhongxiang Dai , Yizhou Chen , Haibin Yu , Bryan Kian Hsiang Low , Patrick Jaillet

Feature-based algorithm selection aims to automatically find the best one from a portfolio of optimization algorithms on an unseen problem based on its landscape features. Feature-based algorithm selection has recently received attention in…

Neural and Evolutionary Computing · Computer Science 2022-04-27 Ryoji Tanabe

To lower the expertise barrier in machine learning, the AutoML community has focused on the CASH problem, which jointly automates algorithm selection and hyperparameter tuning. While traditional methods like Bayesian Optimization (BO)…

Machine Learning · Computer Science 2026-05-08 Beicheng Xu , Weitong Qian , Lingching Tung , Yupeng Lu , Bin Cui

The paper continues the study of partitioning based inference of heuristics for search in the context of solving the Most Probable Explanation task in Bayesian Networks. We compare two systematic Branch and Bound search algorithms, BBBT…

Artificial Intelligence · Computer Science 2012-12-12 Radu Marinescu , Kalev Kask , Rina Dechter

In this paper, we study the performance of IPOP-saACM-ES and BIPOP-saACM-ES, recently proposed self-adaptive surrogate-assisted Covariance Matrix Adaptation Evolution Strategies. Both algorithms were tested using restarts till a total…

Neural and Evolutionary Computing · Computer Science 2012-06-26 Ilya Loshchilov , Marc Schoenauer , Michèle Sebag

Bayesian optimization (BO) is a class of popular methods for expensive black-box optimization, and has been widely applied to many scenarios. However, BO suffers from the curse of dimensionality, and scaling it to high-dimensional problems…

Machine Learning · Computer Science 2022-11-17 Lei Song , Ke Xue , Xiaobin Huang , Chao Qian

Test-Time Scaling (TTS) is an important method for improving the performance of Large Language Models (LLMs) by using additional computation during the inference phase. However, current studies do not systematically analyze how policy…

Computation and Language · Computer Science 2025-02-11 Runze Liu , Junqi Gao , Jian Zhao , Kaiyan Zhang , Xiu Li , Biqing Qi , Wanli Ouyang , Bowen Zhou

Bayesian optimization (BO) is a popular method for computationally expensive black-box optimization. However, traditional BO methods need to solve new problems from scratch, leading to slow convergence. Recent studies try to extend BO to a…

Machine Learning · Computer Science 2024-12-11 Shukuan Wang , Ke Xue , Lei Song , Xiaobin Huang , Chao Qian

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

We study the problem of optimizing expensive blackbox functions over combinatorial spaces (e.g., sets, sequences, trees, and graphs). BOCS (Baptista and Poloczek, 2018) is a state-of-the-art Bayesian optimization method for tractable…

Machine Learning · Computer Science 2020-08-20 Aryan Deshwal , Syrine Belakaria , Janardhan Rao Doppa

The number of proposed iterative optimization heuristics is growing steadily, and with this growth, there have been many points of discussion within the wider community. One particular criticism that is raised towards many new algorithms is…

Neural and Evolutionary Computing · Computer Science 2024-02-16 Diederick Vermetten , Carola Doerr , Hao Wang , Anna V. Kononova , Thomas Bäck

Benchmark suites, i.e. a collection of benchmark functions, are widely used in the comparison of black-box optimization algorithms. Over the years, research has identified many desired qualities for benchmark suites, such as diverse…

Neural and Evolutionary Computing · Computer Science 2021-04-16 David Issa Mattos , Lucas Ruud , Jan Bosch , Helena Holmström Olsson

The bbob-largescale test suite, containing 24 single-objective functions in continuous domain, extends the well-known single-objective noiseless bbob test suite, which has been used since 2009 in the BBOB workshop series, to large…

Optimization and Control · Mathematics 2019-03-29 Ouassim Elhara , Konstantinos Varelas , Duc Nguyen , Tea Tusar , Dimo Brockhoff , Nikolaus Hansen , Anne Auger

Some real problems require the evaluation of expensive and noisy objective functions. Moreover, the analytical expression of these objective functions may be unknown. These functions are known as black-boxes, for example, estimating the…

Machine Learning · Statistics 2021-07-12 Lucia Asencio Martín , Eduardo C. Garrido-Merchán

Bayesian optimization (BO) is one of the most powerful strategies to solve computationally expensive-to-evaluate blackbox optimization problems. However, BO methods are conventionally used for optimization problems of small dimension…

Optimization and Control · Mathematics 2025-02-10 Rémy Priem , Youssef Diouane , Nathalie Bartoli , Sylvain Dubreuil , Paul Saves

Parameter settings profoundly impact the performance of machine learning algorithms and laboratory experiments. The classical grid search or trial-error methods are exponentially expensive in large parameter spaces, and Bayesian…

Machine Learning · Computer Science 2017-04-18 Vu Nguyen , Santu Rana , Sunil Gupta , Cheng Li , Svetha Venkatesh
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