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Molecular design based on generative models, such as variational autoencoders (VAEs), has become increasingly popular in recent years due to its efficiency for exploring high-dimensional molecular space to identify molecules with desired…

Machine Learning · Computer Science 2024-08-13 A N M Nafiz Abeer , Nathan Urban , M Ryan Weil , Francis J. Alexander , Byung-Jun Yoon

Latent generative models have emerged as a leading approach for high-quality image synthesis. These models rely on an autoencoder to compress images into a latent space, followed by a generative model to learn the latent distribution. We…

Machine Learning · Computer Science 2025-08-05 Theodoros Kouzelis , Ioannis Kakogeorgiou , Spyros Gidaris , Nikos Komodakis

Controllable video generation has emerged as a versatile tool for autonomous driving, enabling realistic synthesis of traffic scenarios. However, existing methods depend on control signals at inference time to guide the generative model…

Computer Vision and Pattern Recognition · Computer Science 2026-02-06 Mirlan Karimov , Teodora Spasojevic , Markus Braun , Julian Wiederer , Vasileios Belagiannis , Marc Pollefeys

Linear latent variable models such as principal component analysis (PCA), independent component analysis (ICA), canonical correlation analysis (CCA), and factor analysis (FA) identify latent directions (or loadings) either ordered or…

Machine Learning · Statistics 2023-07-13 Jesse Stevens , Daniel N. Wilke , Itumeleng Setshedi

Bayesian optimization (BO) has demonstrated potential for optimizing control performance in data-limited settings, especially for systems with unknown dynamics or unmodeled performance objectives. The BO algorithm efficiently trades-off…

Machine Learning · Computer Science 2022-11-02 Ankush Chakrabarty

We propose a novel Bayesian optimization (BO) procedure aimed at identifying the ``profile optima'' of a deterministic black-box computer simulation that has a single control parameter and multiple nuisance parameters. The profile optima…

Methodology · Statistics 2025-12-30 Courtney Kyger , James Fernandez , John A. Grunenwald , James Braun , Annie Booth

In high-dimensional settings, Bayesian optimization (BO) can be expensive and infeasible. The random embedding Bayesian optimization algorithm is commonly used to address high-dimensional BO challenges. However, this method relies on the…

Machine Learning · Computer Science 2024-08-12 Jiaming Lu , Rong J. B. Zhu

Bayesian optimization (BO) is a widely used approach to hyperparameter optimization (HPO). However, most existing HPO methods only incorporate expert knowledge during initialization, limiting practitioners' ability to influence the…

Machine Learning · Computer Science 2026-02-04 Lukas Fehring , Marcel Wever , Maximilian Spliethöver , Leona Hennig , Henning Wachsmuth , Marius Lindauer

We study how to accelerate Bayesian optimization (BO) on a target task by transferring historical knowledge from related source tasks. Existing work on BO with knowledge transfer either lacks theoretical guarantees or achieves the same…

Machine Learning · Statistics 2026-04-29 Haitao Lin , Boxin Zhao , Mladen Kolar , Chong Liu

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

Interactive Machine Learning (IML) seeks to integrate human expertise into machine learning processes. However, most existing algorithms cannot be applied to Realworld Scenarios because their state spaces and/or action spaces are limited to…

Robotics · Computer Science 2024-01-24 Nikolaus Feith , Elmar Rueckert

Multi-objective Bayesian optimization (MOBO) provides a principled framework for optimizing expensive black-box functions with multiple objectives. However, existing MOBO methods often struggle with coverage, scalability with respect to the…

Machine Learning · Computer Science 2026-04-20 Yaohong Yang , Sammie Katt , Samuel Kaski

Future intelligent indoor wireless environments require fast and reliable beam alignment to sustain high-throughput links under mobility and blockage. Exhaustive beam training achieves optimal performance but is prohibitively costly. In…

Networking and Internet Architecture · Computer Science 2026-02-19 Parth Ashokbhai Shiroya , Amod Ashtekar , Swarnagowri Shashidhar , Mohammed E. Eltayeb

We study the problem of performance optimization of closed-loop control systems with unmodeled dynamics. Bayesian optimization (BO) has been demonstrated effective for improving closed-loop performance by automatically tuning controller…

Machine Learning · Computer Science 2021-10-15 Wenjie Xu , Colin N Jones , Bratislav Svetozarevic , Christopher R. Laughman , Ankush Chakrabarty

Bayesian optimization (BO) is a powerful approach for optimizing complex and expensive-to-evaluate black-box functions. Its importance is underscored in many applications, notably including hyperparameter tuning, but its efficacy depends on…

Machine Learning · Computer Science 2024-03-11 Tennison Liu , Nicolás Astorga , Nabeel Seedat , Mihaela van der Schaar

The global optimization of a high-dimensional black-box function under black-box constraints is a pervasive task in machine learning, control, and engineering. These problems are challenging since the feasible set is typically non-convex…

Machine Learning · Computer Science 2021-03-02 David Eriksson , Matthias Poloczek

Bayesian Optimization (BO) is typically used to optimize an unknown function $f$ that is noisy and costly to evaluate, by exploiting an acquisition function that must be maximized at each optimization step. Even if provably asymptotically…

Machine Learning · Computer Science 2024-02-09 Anthony Bardou , Patrick Thiran , Thomas Begin

To enhance the performance of aerial-ground networks, this paper proposes an integrated sensing and communication (ISAC) framework for multi-UAV systems. In our model, ground base stations (BSs) cooperatively serve multiple unmanned aerial…

Systems and Control · Electrical Eng. & Systems 2026-05-01 Fangzhi Li , Zhichu Ren , Cunhua Pan , Hong Ren , Jing Jin , Qixing Wang , Jiangzhou Wang

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

In recent years, leveraging parallel and distributed computational resources has become essential to solve problems of high computational cost. Bayesian optimization (BO) has shown attractive results in those expensive-to-evaluate problems…

Machine Learning · Statistics 2020-06-25 Masahiro Nomura