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Offline reinforcement learning enables agents to leverage large pre-collected datasets of environment transitions to learn control policies, circumventing the need for potentially expensive or unsafe online data collection. Significant…

Machine Learning · Computer Science 2022-03-17 Cong Lu , Philip J. Ball , Jack Parker-Holder , Michael A. Osborne , Stephen J. Roberts

The use of black-box optimization for the design of new biological sequences is an emerging research area with potentially revolutionary impact. The cost and latency of wet-lab experiments requires methods that find good sequences in few…

Machine Learning · Computer Science 2020-07-14 Christof Angermueller , David Belanger , Andreea Gane , Zelda Mariet , David Dohan , Kevin Murphy , Lucy Colwell , D Sculley

Engineering design optimization seeks to automatically determine the shapes, topologies, or parameters of components that maximize performance under given conditions. This process often depends on physics-based simulations, which are…

Computational Engineering, Finance, and Science · Computer Science 2025-08-12 Florian Felten , Gabriel Apaza , Gerhard Bräunlich , Cashen Diniz , Xuliang Dong , Arthur Drake , Milad Habibi , Nathaniel J. Hoffman , Matthew Keeler , Soheyl Massoudi , Francis G. VanGessel , Mark Fuge

Various methods for robot design optimization have been developed so far. These methods are diverse, ranging from numerical optimization to black-box optimization. While numerical optimization is fast, it is not suitable for cases involving…

Robotics · Computer Science 2026-02-19 Kento Kawaharazuka , Yoshiki Obinata , Naoaki Kanazawa , Haoyu Jia , Kei Okada

Hyperparameter optimization (HPO) is a core problem for the machine learning community and remains largely unsolved due to the significant computational resources required to evaluate hyperparameter configurations. As a result, a series of…

Machine Learning · Computer Science 2021-10-12 Sebastian Pineda Arango , Hadi S. Jomaa , Martin Wistuba , Josif Grabocka

Bayesian optimization (BO) is an efficient framework for solving black-box optimization problems with expensive function evaluations. This paper addresses the BO problem setting for combinatorial spaces (e.g., sequences and graphs) that…

Machine Learning · Computer Science 2022-02-07 Aryan Deshwal , Syrine Belakaria , Janardhan Rao Doppa

Optimization of high-dimensional black-box functions is an extremely challenging problem. While Bayesian optimization has emerged as a popular approach for optimizing black-box functions, its applicability has been limited to…

Machine Learning · Statistics 2018-08-06 Zi Wang , Chengtao Li , Stefanie Jegelka , Pushmeet Kohli

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

The evaluation of heuristic optimizers on test problems, better known as \emph{benchmarking}, is a cornerstone of research in multi-objective optimization. However, most test problems used in benchmarking numerical multi-objective black-box…

Optimization and Control · Mathematics 2026-01-26 Lennart Schäpermeier , Pascal Kerschke

Bayesian optimization has been successfully applied to optimize black-box functions where the number of evaluations is severely limited. However, in many real-world applications, it is hard or impossible to know in advance which designs are…

Bayesian Optimization (BO) is a widely used approach for blackbox optimization that leverages a Gaussian process (GP) model and an acquisition function to guide future sampling. While effective in low-dimensional settings, BO faces…

Machine Learning · Computer Science 2025-11-26 Pavankumar Koratikere , Leifur Leifsson

The ongoing advancements in network architecture design have led to remarkable achievements in deep learning across various challenging computer vision tasks. Meanwhile, the development of neural architecture search (NAS) has provided…

Neural and Evolutionary Computing · Computer Science 2023-04-19 Zhichao Lu , Ran Cheng , Yaochu Jin , Kay Chen Tan , Kalyanmoy Deb

This paper reviews the state-of-the-art model-based adaptive sampling approaches for single-objective black-box optimization (BBO). While BBO literature includes various promising sampling techniques, there is still a lack of comprehensive…

Optimization and Control · Mathematics 2022-04-25 Nazanin Nezami , Hadis Anahideh

Bayesian Optimization (BO) is an effective approach for global optimization of black-box functions when function evaluations are expensive. Most prior works use Gaussian processes to model the black-box function, however, the use of kernels…

Machine Learning · Computer Science 2023-09-25 Dat Phan-Trong , Hung Tran-The , Sunil Gupta

In real-world problems, uncertainties (e.g., errors in the measurement, precision errors) often lead to poor performance of numerical algorithms when not explicitly taken into account. This is also the case for control problems, where…

Optimization and Control · Mathematics 2020-12-18 Carlos Ignacio Hernández Castellanos , Sina Ober-Blöbaum , Sebastian Peitz

Black-box optimization is a powerful approach for discovering global optima in noisy and expensive black-box functions, a problem widely encountered in real-world scenarios. Recently, there has been a growing interest in leveraging domain…

Machine Learning · Computer Science 2024-02-06 Dat Phan-Trong , Hung The Tran , Alistair Shilton , Sunil Gupta

Accurately predicting the performance of different optimization algorithms for previously unseen problem instances is crucial for high-performing algorithm selection and configuration techniques. In the context of numerical optimization,…

Neural and Evolutionary Computing · Computer Science 2021-04-23 Tome Eftimov , Anja Jankovic , Gorjan Popovski , Carola Doerr , Peter Korošec

Model merging has emerged as a cost-effective alternative to training large language models (LLMs) from scratch, enabling researchers to combine pre-trained models into more capable systems without full retraining. Evolutionary approaches…

Neural and Evolutionary Computing · Computer Science 2026-05-13 Md. Robiul Islam Niloy

We consider the problem of offline black-box optimization, where the goal is to discover optimal designs (e.g., molecules or materials) from past experimental data. A key challenge in this setting is data scarcity: in many scientific…

Machine Learning · Computer Science 2026-05-22 Azza Fadhel , The Hung Tran , Trong Nghia Hoang , Jana Doppa

In statistics, it is common to encounter multi-modal and non-smooth likelihood (or objective function) maximization problems, where the parameters have known upper and lower bounds. This paper proposes a novel derivative-free global…

Optimization and Control · Mathematics 2023-09-14 Priyam Das