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The present paper proposes a Bayesian framework for inverse problems that seamlessly integrates optimization and inversion to enable rapid surrogate modeling, accurate parameter inference, and rigorous uncertainty quantification. Bayesian…

Computational Engineering, Finance, and Science · Computer Science 2026-02-05 Mihaela Chiappetta , Massimo Carraturo , Alexander Raßloff , Markus Kästner , Ferdinando Auricchio

Molecules have a number of distinct properties whose importance and application vary. Often, in reality, labels for some properties are hard to achieve despite their practical importance. A common solution to such data scarcity is to use…

Machine Learning · Computer Science 2024-10-02 Chanhui Lee , Dae-Woong Jeong , Sung Moon Ko , Sumin Lee , Hyunseung Kim , Soorin Yim , Sehui Han , Sungwoong Kim , Sungbin Lim

In evolutionary robotics, robot morphologies are designed automatically using evolutionary algorithms. This creates a body-brain optimization problem, where both morphology and control must be optimized together. A common approach is to…

Robotics · Computer Science 2026-01-08 K. Ege de Bruin , Kyrre Glette , Kai Olav Ellefsen

A wide range of machine learning algorithms iteratively add data to the training sample. Examples include semi-supervised learning, active learning, multi-armed bandits, and Bayesian optimization. We embed this kind of data addition into…

Machine Learning · Statistics 2024-06-25 Julian Rodemann

Generating simulated training data needed for constructing sufficiently accurate surrogate models to be used for efficient optimization or parameter identification can incur a huge computational effort in the offline phase. We consider a…

Numerical Analysis · Mathematics 2024-04-03 Phillip Semler , Martin Weiser

The use of ML in engineering has grown steadily to support a wide array of applications. Among these methods, deep neural networks have been widely adopted due to their performance and accessibility, but they require large, high-quality…

Machine Learning · Computer Science 2025-10-31 Aidan Furlong , Robert Salko , Xingang Zhao , Xu Wu

Adaptive designs are increasingly used in clinical trials and online experiments to improve participant outcomes by dynamically updating treatment allocation as data accumulate. In practice, experimenters often consider multiple candidate…

Methodology · Statistics 2026-04-08 Wenxin Zhang , Aaron Hudson , Maya Petersen , Mark van der Laan

Bayesian experimental design (BED) has been used as a method for conducting efficient experiments based on Bayesian inference. The existing methods, however, mostly focus on maximizing the expected information gain (EIG); the cost of…

Machine Learning · Computer Science 2022-02-16 Hikaru Asano

Bayesian optimization (BO) methods often rely on the assumption that the objective function is well-behaved, but in practice, this is seldom true for real-world objectives even if noise-free observations can be collected. Common approaches,…

Machine Learning · Statistics 2020-09-10 Erik Bodin , Markus Kaiser , Ieva Kazlauskaite , Zhenwen Dai , Neill D. F. Campbell , Carl Henrik Ek

We introduce Bayesian optimization, a technique developed for optimizing time-consuming engineering simulations and for fitting machine learning models on large datasets. Bayesian optimization guides the choice of experiments during…

Machine Learning · Statistics 2017-11-22 Peter I. Frazier , Jialei Wang

Transferring knowledge across tasks to improve data-efficiency is one of the open key challenges in the field of global black-box optimization. Readily available algorithms are typically designed to be universal optimizers and, therefore,…

Fault-tolerant deep learning accelerator is the basis for highly reliable deep learning processing and critical to deploy deep learning in safety-critical applications such as avionics and robotics. Since deep learning is known to be…

Hardware Architecture · Computer Science 2023-12-22 Qing Zhang , Cheng Liu , Bo Liu , Haitong Huang , Ying Wang , Huawei Li , Xiaowei Li

Bayesian optimization is an approach to optimizing objective functions that take a long time (minutes or hours) to evaluate. It is best-suited for optimization over continuous domains of less than 20 dimensions, and tolerates stochastic…

Machine Learning · Statistics 2018-07-10 Peter I. Frazier

A body of work has been done to automate machine learning algorithm to highlight the importance of model choice. Automating the process of choosing the best forecasting model and its corresponding parameters can result to improve a wide…

Machine Learning · Computer Science 2021-09-02 Nadhir Hassen , Irina Rish

Benchmark workloads are extremely important to the database management research community, especially as more machine learning components are integrated into database systems. Here, we propose a Bayesian optimization technique to…

Implicit stochastic models, where the data-generation distribution is intractable but sampling is possible, are ubiquitous in the natural sciences. The models typically have free parameters that need to be inferred from data collected in…

Machine Learning · Statistics 2020-08-17 Steven Kleinegesse , Michael U. Gutmann

The ability to accelerate the design of biological sequences can have a substantial impact on the progress of the medical field. The problem can be framed as a global optimization problem where the objective is an expensive black-box…

Machine Learning · Computer Science 2022-09-15 Leo Feng , Padideh Nouri , Aneri Muni , Yoshua Bengio , Pierre-Luc Bacon

Deep learning has shown substantial progress in image analysis. However, the computational demands of large, fully trained models remain a consideration. Transfer learning offers a strategy for adapting pre-trained models to new tasks.…

Computer Vision and Pattern Recognition · Computer Science 2025-08-22 Jacinto Colan , Ana Davila , Yasuhisa Hasegawa

From a pool of admissible designs, we aim to identify a structure that achieves a target macroscopic stress response. For each candidate, the response is obtained from a high-fidelity oracle, such as expensive computational homogenization…

Computational Engineering, Finance, and Science · Computer Science 2026-05-12 Hooman Danesh , Henning Wessels

Bayesian optimization (BO) provides a powerful framework for optimizing black-box, expensive-to-evaluate functions. It is therefore an attractive tool for engineering design problems, typically involving multiple objectives. Thanks to the…

Machine Learning · Computer Science 2024-09-06 Navid Ansari , Alireza Javanmardi , Eyke Hüllermeier , Hans-Peter Seidel , Vahid Babaei
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