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Automatically searching for optimal hyperparameter configurations is of crucial importance for applying deep learning algorithms in practice. Recently, Bayesian optimization has been proposed for optimizing hyperparameters of various…

Artificial Intelligence · Computer Science 2017-01-24 Ilija Ilievski , Taimoor Akhtar , Jiashi Feng , Christine Annette Shoemaker

Monte Carlo Tree Search (MCTS) is a powerful algorithm for solving complex decision-making problems. This paper presents an optimized MCTS implementation applied to the FrozenLake environment, a classic reinforcement learning task…

Artificial Intelligence · Computer Science 2024-09-26 Esteban Aldana Guerra

We investigate an applicability of Bayesian-optimization (BO) to optimize hyperparameters associated with support-vector-machine (SVM) in order to classify facies using elastic properties derived from well data in the East Central Graben,…

Geophysics · Physics 2022-04-04 Yohei Nishitsuji , Jalil Nasseri

The performance of many machine learning models depends on their hyper-parameter settings. Bayesian Optimization has become a successful tool for hyper-parameter optimization of machine learning algorithms, which aims to identify optimal…

Machine Learning · Computer Science 2020-08-04 Lidan Wang , Franck Dernoncourt , Trung Bui

Efficient optimisation of black-box problems that comprise both continuous and categorical inputs is important, yet poses significant challenges. We propose a new approach, Continuous and Categorical Bayesian Optimisation (CoCaBO), which…

Machine Learning · Statistics 2020-08-11 Binxin Ru , Ahsan S. Alvi , Vu Nguyen , Michael A. Osborne , Stephen J Roberts

Bayesian Optimization (BO) is a surrogate-assisted global optimization technique that has been successfully applied in various fields, e.g., automated machine learning and design optimization. Built upon a so-called infill-criterion and…

Neural and Evolutionary Computing · Computer Science 2020-07-03 Elena Raponi , Hao Wang , Mariusz Bujny , Simonetta Boria , Carola Doerr

Bayesian Optimization (BO) is a well-established method for addressing black-box optimization problems. In many real-world scenarios, optimization often involves multiple functions, emphasizing the importance of leveraging data and learned…

Machine Learning · Computer Science 2025-03-11 Khoa Nguyen , Viet Huynh , Binh Tran , Tri Pham , Tin Huynh , Thin Nguyen

Bayesian Optimization (BO) is a powerful method for optimizing black-box functions by combining prior knowledge with ongoing function evaluations. BO constructs a probabilistic surrogate model of the objective function given the covariates,…

Machine Learning · Statistics 2025-08-26 Roi Naveiro , Becky Tang

This study investigates the combined use of generative grammar rules and Monte Carlo Tree Search (MCTS) for optimizing truss structures. Our approach accommodates intermediate construction stages characteristic of progressive construction…

Computational Engineering, Finance, and Science · Computer Science 2025-04-03 Gabriel Garayalde , Luca Rosafalco , Matteo Torzoni , Alberto Corigliano

Neural approaches for combinatorial optimization (CO) equip a learning mechanism to discover powerful heuristics for solving complex real-world problems. While neural approaches capable of high-quality solutions in a single shot are…

Machine Learning · Computer Science 2022-11-18 Jinho Choo , Yeong-Dae Kwon , Jihoon Kim , Jeongwoo Jae , André Hottung , Kevin Tierney , Youngjune Gwon

Decision trees have found widespread application within the machine learning community due to their flexibility and interpretability. This paper is directed towards learning decision trees from data using a Bayesian approach, which is…

Machine Learning · Computer Science 2023-12-05 Jodie A. Cochrane , Adrian G. Wills , Sarah J. Johnson

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

When coping with the urgent challenge of locating and rescuing a deep-sea submersible in the event of communication or power failure, environmental uncertainty in the ocean can not be ignored. However, classic physical models are limited to…

Computational Engineering, Finance, and Science · Computer Science 2025-05-06 Runhao Liu , Ziming Chen , Peng Zhang

Traffic simulation and digital-twin calibration is a challenging optimization problem with a limited simulation budget. Each trial requires an expensive simulation run, and the relationship between calibration inputs and model error is…

Machine Learning · Computer Science 2026-04-13 Abhilasha Saroj , Shaked Regev , Guanhao Xu , Jinghui Yuan , Roy Luo , Ross Wang

Batched Bayesian optimization (BO) can accelerate molecular design by efficiently identifying top-performing compounds from a large chemical library. Existing acquisition strategies for batch design in BO aim to balance exploration and…

Experimental (design) optimization is a key driver in designing and discovering new products and processes. Bayesian Optimization (BO) is an effective tool for optimizing expensive and black-box experimental design processes. While Bayesian…

Machine Learning · Computer Science 2024-02-28 Arun Kumar A , Alistair Shilton , Sunil Gupta , Santu Rana , Stewart Greenhill , Svetha Venkatesh

Researchers constantly strive to explore larger and more complex search spaces in various scientific studies and physical experiments. However, such investigations often involve sophisticated simulators or time-consuming experiments that…

Machine Learning · Computer Science 2023-08-21 Shikhar Tuli , Niraj K. Jha

Bayesian optimization (BO) is one of the most effective methods for closed-loop experimental design and black-box optimization. However, a key limitation of BO is that it is an inherently sequential algorithm (one experiment is proposed per…

Machine Learning · Statistics 2023-11-21 Leonardo D. González , Victor M. Zavala

We present two novel hyperparameter optimization strategies for optimization of deep learning models with a modular architecture constructed of multiple subnetworks. As complex networks with multiple subnetworks become more frequently…

Machine Learning · Computer Science 2022-02-25 Alex H. Treacher , Albert Montillo

Bayesian optimization (BO) is a popular global optimization scheme for sample-efficient optimization in domains with expensive function evaluations. The existing BO techniques are capable of finding a single global optimum solution.…

Optimization and Control · Mathematics 2023-08-08 Yongsheng Mei , Tian Lan , Mahdi Imani , Suresh Subramaniam