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Bayesian optimization (BO) is a powerful method for optimizing black-box manufacturing processes, but its performance is often limited when dealing with high-dimensional multi-stage systems, where we can observe intermediate outputs.…

Machine Learning · Computer Science 2026-05-19 Saksham Kiroriwal , Julius Pfrommer , Jürgen Beyerer

Bayesian optimization (BO) is an efficient method to optimize expensive black-box functions. It has been generalized to scenarios where objective function evaluations return stochastic binary feedback, such as success/failure in a given…

Machine Learning · Statistics 2021-11-08 Tristan Fauvel , Matthew Chalk

Recurrent neural networks (RNNs) are a powerful approach for time series prediction. However, their performance is strongly affected by their architecture and hyperparameter settings. The architecture optimization of RNNs is a…

Machine Learning · Computer Science 2021-04-26 Andrés Camero , Hao Wang , Enrique Alba , Thomas Bäck

Conventional federated learning (FL) frameworks often suffer from training degradation due to data uncertainty and heterogeneity across local clients. Probabilistic approaches such as Bayesian neural networks (BNNs) can mitigate this issue…

Machine Learning · Computer Science 2026-03-20 Ratun Rahman , Dinh C. Nguyen

Bayesian optimization provides an effective method to optimize expensive-to-evaluate black box functions. It has been widely applied to problems in many fields, including notably in computer science, e.g. in machine learning to optimize…

Machine Learning · Computer Science 2025-11-18 Mike Diessner , Joseph O'Connor , Andrew Wynn , Sylvain Laizet , Yu Guan , Kevin Wilson , Richard D. Whalley

Bayesian optimization (BO) is a sequential approach for optimizing black-box objective functions using zeroth-order noisy observations. In BO, Gaussian processes (GPs) are employed as probabilistic surrogate models to estimate the objective…

Machine Learning · Computer Science 2025-04-02 Dongwon Kim , Matteo Zecchin , Sangwoo Park , Joonhyuk Kang , Osvaldo Simeone

Convolutional neural networks have gained a remarkable success in computer vision. However, most usable network architectures are hand-crafted and usually require expertise and elaborate design. In this paper, we provide a block-wise…

Computer Vision and Pattern Recognition · Computer Science 2018-08-17 Zhao Zhong , Zichen Yang , Boyang Deng , Junjie Yan , Wei Wu , Jing Shao , Cheng-Lin Liu

Bayesian optimization (BO) with Gaussian processes is a powerful methodology to optimize an expensive black-box function with as few function evaluations as possible. The expected improvement (EI) and probability of improvement (PI) are…

Machine Learning · Computer Science 2023-07-06 Takuya Kanazawa

Active learning optimizes the exploration of large parameter spaces by strategically selecting which experiments or simulations to conduct, thus reducing resource consumption and potentially accelerating scientific discovery. A key…

Machine Learning · Computer Science 2024-05-20 Maxim Ziatdinov

In many scientific fields, researchers are interested in discovering features with substantial effect on the response from a large number of features while controlling the proportion of false discoveries. By incorporating the knockoff…

Methodology · Statistics 2023-02-28 Jiaqi Gu , Guosheng Yin

Bayesian network structure learning is an NP-hard problem that has been faced by a number of traditional approaches in recent decades. Currently, quantum technologies offer a wide range of advantages that can be exploited to solve…

Quantum Physics · Physics 2022-03-07 Vicente P. Soloviev , Concha Bielza , Pedro Larrañaga

Bayesian Optimization (BO) is a framework for black-box optimization that is especially suitable for expensive cost functions. Among the main parts of a BO algorithm, the acquisition function is of fundamental importance, since it guides…

Bayesian global optimization (BGO) is an efficient surrogate-assisted technique for problems involving expensive evaluations. A parallel technique can be used to parallelly evaluate the true-expensive objective functions in one iteration to…

Artificial Intelligence · Computer Science 2022-08-09 Kaifeng Yang , Guozhi Dong , Michael Affenzeller

Design optimization of engineering systems with multiple competing objectives is a painstakingly tedious process especially when the objective functions are expensive-to-evaluate computer codes with parametric uncertainties. The…

Optimization and Control · Mathematics 2019-06-20 Piyush Pandita , Ilias Bilionis , Jitesh Panchal , B. P. Gautham , Amol Joshi , Pramod Zagade

The performance of Bayesian optimization (BO), a highly sample-efficient method for expensive black-box problems, is critically governed by the selection of its hyperparameters, including the kernel and acquisition functions. This presents…

Machine Learning · Computer Science 2026-05-25 Joon-Hyun Park , Mujin Cheon , Jeongsu Wi , Dong-Yeun Koh

Bayesian optimization (BO) is increasingly employed in critical applications to find the optimal design with minimal cost. While BO is known for its sample efficiency, relying solely on costly high-fidelity data can still result in high…

Artificial Intelligence · Computer Science 2025-03-25 Zahra Zanjani Foumani , Ramin Bostanabad

We propose an extrinsic Bayesian optimization (eBO) framework for general optimization problems on manifolds. Bayesian optimization algorithms build a surrogate of the objective function by employing Gaussian processes and quantify the…

Optimization and Control · Mathematics 2023-01-02 Yihao Fang , Mu Niu , Pokman Cheung , Lizhen Lin

This paper proposes fractional order graph neural networks (FGNNs), optimized by the approximation strategy to address the challenges of local optimum of classic and fractional graph neural networks which are specialised at aggregating…

Machine Learning · Computer Science 2021-07-07 Zijian Liu , Chunbo Luo , Shuai Li , Peng Ren , Geyong Min

Bayesian Optimization aims at optimizing an unknown non-convex/concave function that is costly to evaluate. We are interested in application scenarios where concurrent function evaluations are possible. Under such a setting, BO could choose…

Artificial Intelligence · Computer Science 2012-05-02 Javad Azimi , Ali Jalali , Xiaoli Fern

Convolutional Neural Networks (CNNs) are well established models capable of achieving state-of-the-art classification accuracy for various computer vision tasks. However, they are becoming increasingly larger, using millions of parameters,…

Computer Vision and Pattern Recognition · Computer Science 2017-07-27 Nikolaos Passalis , Anastasios Tefas
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