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Bayesian optimization (BO) is a powerful technology for optimizing noisy expensive-to-evaluate black-box functions, with a broad range of real-world applications in science, engineering, economics, manufacturing, and beyond. In this paper,…

Machine Learning · Computer Science 2024-01-30 Joel A. Paulson , Calvin Tsay

Balancing exploration and exploitation is a fundamental part of reinforcement learning, yet most state-of-the-art algorithms use a naive exploration protocol like $\epsilon$-greedy. This contributes to the problem of high sample complexity,…

Machine Learning · Computer Science 2019-11-21 Tom Blau , Lionel Ott , Fabio Ramos

Bayesian Neural Networks (BNNs) offer a principled and natural framework for proper uncertainty quantification in the context of deep learning. They address the typical challenges associated with conventional deep learning methods, such as…

Computation · Statistics 2024-11-13 Zahra Moslemi , Yang Meng , Shiwei Lan , Babak Shahbaba

Bayesian Optimization is a very effective tool for optimizing expensive black-box functions. Inspired by applications developing and characterizing reaction chemistry using droplet microfluidic reactors, we consider a novel setting where…

Machine Learning · Computer Science 2023-01-12 Jose Pablo Folch , Shiqiang Zhang , Robert M Lee , Behrang Shafei , David Walz , Calvin Tsay , Mark van der Wilk , Ruth Misener

Neural sequence models are widely used to model time-series data. Equally ubiquitous is the usage of beam search (BS) as an approximate inference algorithm to decode output sequences from these models. BS explores the search space in a…

Artificial Intelligence · Computer Science 2018-10-23 Ashwin K Vijayakumar , Michael Cogswell , Ramprasath R. Selvaraju , Qing Sun , Stefan Lee , David Crandall , Dhruv Batra

This work presents PESMOC, Predictive Entropy Search for Multi-objective Bayesian Optimization with Constraints, an information-based strategy for the simultaneous optimization of multiple expensive-to-evaluate black-box functions under the…

Machine Learning · Statistics 2021-04-15 Eduardo C. Garrido-Merchán , Daniel Hernández-Lobato

One way to reduce the time of conducting optimization studies is to evaluate designs in parallel rather than just one-at-a-time. For expensive-to-evaluate black-boxes, batch versions of Bayesian optimization have been proposed. They work by…

Optimization and Control · Mathematics 2023-04-04 Mickael Binois , Nicholson Collier , Jonathan Ozik

Malware is becoming increasingly complex and widespread, making it essential to develop more effective and timely detection methods. Traditional static analysis often fails to defend against modern threats that employ code obfuscation,…

Machine Learning · Computer Science 2025-09-19 Wadduwage Shanika Perera , Haodi Jiang

Machine-learning driven safety-critical autonomous systems, such as self-driving cars, must be able to detect situations where its trained model is not able to make a trustworthy prediction. Often viewed as a black-box, it is non-obvious to…

Machine Learning · Computer Science 2019-06-11 Valerie Chen , Man-Ki Yoon , Zhong Shao

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 choice of neural network features can have a large impact on both the accuracy and speed of the network. Despite the current industry shift towards large transformer models, specialized binary classifiers remain critical for numerous…

Neural and Evolutionary Computing · Computer Science 2025-03-17 Benjamin David Winter , William John Teahan

Despite remarkable progress achieved, most neural architecture search (NAS) methods focus on searching for one single accurate and robust architecture. To further build models with better generalization capability and performance, model…

Computer Vision and Pattern Recognition · Computer Science 2021-07-19 Minghao Chen , Houwen Peng , Jianlong Fu , Haibin Ling

Neural Architecture Search (NAS) was first proposed to achieve state-of-the-art performance through the discovery of new architecture patterns, without human intervention. An over-reliance on expert knowledge in the search space design has…

Machine Learning · Computer Science 2021-01-05 Binxin Ru , Pedro Esperanca , Fabio Carlucci

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

This study investigates the application of Bayesian Optimization (BO) for the hyperparameter tuning of neural networks, specifically targeting the enhancement of Convolutional Neural Networks (CNN) for image classification tasks. Bayesian…

Machine Learning · Computer Science 2024-10-30 Gabriele Onorato

Bayesian optimization is a sample-efficient method for black-box global optimization. How- ever, the performance of a Bayesian optimization method very much depends on its exploration strategy, i.e. the choice of acquisition function, and…

Machine Learning · Statistics 2015-03-06 Bobak Shahriari , Ziyu Wang , Matthew W. Hoffman , Alexandre Bouchard-Côté , Nando de Freitas

In the Reinforcement Learning (RL) framework, the learning is guided through a reward signal. This means that in situations of sparse rewards the agent has to focus on exploration, in order to discover which action, or set of actions leads…

Machine Learning · Computer Science 2022-03-03 Giuseppe Paolo

Many expensive black-box optimisation problems are sensitive to their inputs. In these problems it makes more sense to locate a region of good designs, than a single-possibly fragile-optimal design. Expensive black-box functions can be…

Machine Learning · Computer Science 2021-12-16 Nicholas D. Sanders , Richard M. Everson , Jonathan E. Fieldsend , Alma A. M. Rahat

We have developed a Bayesian optimization (BO) workflow that integrates intra-step noise optimization into automated experimental cycles. Traditional BO approaches in automated experiments focus on optimizing experimental trajectories but…

Entropy Search (ES) and Predictive Entropy Search (PES) are popular and empirically successful Bayesian Optimization techniques. Both rely on a compelling information-theoretic motivation, and maximize the information gained about the…

Machine Learning · Statistics 2018-08-06 Zi Wang , Stefanie Jegelka