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We develop a new computational approach for "focused" optimal Bayesian experimental design with nonlinear models, with the goal of maximizing expected information gain in targeted subsets of model parameters. Our approach considers…

Computation · Statistics 2019-03-28 Chi Feng , Youssef M. Marzouk

Bayesian optimization (BO) is increasingly employed in critical applications such as materials design and drug discovery. An increasingly popular strategy in BO is to forgo the sole reliance on high-fidelity data and instead use an ensemble…

Machine Learning · Statistics 2023-03-22 Zahra Zanjani Foumani , Mehdi Shishehbor , Amin Yousefpour , Ramin Bostanabad

Bayesian approaches developed to solve the optimal design of sequential experiments are mathematically elegant but computationally challenging. Recently, techniques using amortization have been proposed to make these Bayesian approaches…

Machine Learning · Computer Science 2022-06-20 Tom Blau , Edwin V. Bonilla , Iadine Chades , Amir Dezfouli

The System-by-Design (SbD) is an emerging engineering framework for the optimization-driven design of complex electromagnetic (EM) devices and systems. More specifically, the computational complexity of the design problem at hand is…

Signal Processing · Electrical Eng. & Systems 2022-02-16 Andrea Massa , Marco Salucci

Bayesian optimization is a popular tool for data-efficient optimization of expensive objective functions. In real-life applications like engineering design, the designer often wants to take multiple objectives as well as input uncertainty…

Artificial Intelligence · Computer Science 2022-02-28 J. Qing , I. Couckuyt , T. Dhaene

Data collected from arrays of sensors are essential for informed decision-making in various systems. However, the presence of anomalies can compromise the accuracy and reliability of insights drawn from the collected data or information…

Applications · Statistics 2024-03-19 Katie Buchhorn , Kerrie Mengersen , Edgar Santos-Fernandez , James McGree

Bayesian optimal experimental design has immense potential to inform the collection of data so as to subsequently enhance our understanding of a variety of processes. However, a major impediment is the difficulty in evaluating optimal…

Computation · Statistics 2018-03-14 David J. Price , Nigel G. Bean , Joshua V. Ross , Jonathan Tuke

Bayesian optimization has been successfully applied throughout Chemical Engineering for the optimization of functions that are expensive-to-evaluate, or where gradients are not easily obtainable. However, domain experts often possess…

Human-Computer Interaction · Computer Science 2024-04-18 Tom Savage , Ehecatl Antonio del Rio Chanona

This study addresses the challenge of fleet design optimization in the context of heterogeneous multi-robot fleets, aiming to obtain feasible designs that balance performance and costs. In the domain of autonomous multi-robot exploration,…

Materials informatics offers a promising pathway towards rational materials design, replacing the current trial-and-error approach and accelerating the development of new functional materials. Through the use of sophisticated data analysis…

Materials Science · Physics 2018-05-17 Cormac Toher , Corey Oses , Stefano Curtarolo

In the era of smart manufacturing, predictive maintenance (PdM) plays a pivotal role in improving equipment reliability and reducing operating costs. In this paper, we propose a novel Markov Decision Process (MDP) framework that integrates…

Machine Learning · Computer Science 2025-11-11 Shiqing Qiu

Designing molecules that must satisfy multiple, often conflicting objectives is a central challenge in molecular discovery. The enormous size of chemical space and the cost of high-fidelity simulations have driven the development of machine…

Machine Learning · Statistics 2025-12-22 Madhav R. Muthyala , Farshud Sorourifar , Tianhong Tan , You Peng , Joel A. Paulson

Biopharmaceutical manufacturing is a rapidly growing industry with impact in virtually all branches of medicines. Biomanufacturing processes require close monitoring and control, in the presence of complex bioprocess dynamics with many…

Artificial Intelligence · Computer Science 2022-07-26 Hua Zheng , Wei Xie , Ilya O. Ryzhov , Dongming Xie

Before autonomous systems can be deployed in safety-critical applications, we must be able to understand and verify the safety of these systems. For cases where the risk or cost of real-world testing is prohibitive, we propose a…

Robotics · Computer Science 2023-09-18 Charles Dawson , Chuchu Fan

Supply chain disruptions and volatile demand pose significant challenges to the UK automotive industry, which relies heavily on Just-In-Time (JIT) manufacturing. While qualitative studies highlight the potential of integrating Artificial…

Machine Learning · Statistics 2025-11-11 Muhammad Shahnawaz , Adeel Safder

This paper proposes a model-based optimization method for the production of automotive seals in an extrusion process. The high production throughput, coupled with quality constraints and the inherent uncertainty of the process, encourages…

Systems and Control · Electrical Eng. & Systems 2024-10-31 Raul Cruz-Oliver , Luis Monzon , Edgar Ramirez-Laboreo , Jose-Manuel Rodriguez-Fortun

Microplastics contamination is one of the most rapidly growing research topics. However, monitoring microplastics contamination in the environment presents both logistical and statistical challenges, particularly when constrained resources…

Finding the model that best describes a high-dimensional dataset is a daunting task, even more so if one aims to consider all possible high-order patterns of the data, going beyond pairwise models. For binary data, we show that this task…

Artificial Intelligence · Computer Science 2024-08-28 Clélia de Mulatier , Matteo Marsili

Deep learning-based segmentation and classification are crucial to large-scale biomedical imaging, particularly for 3D data, where manual analysis is impractical. Although many methods exist, selecting suitable models and tuning parameters…

Computer Vision and Pattern Recognition · Computer Science 2026-02-18 David Exler , Joaquin Eduardo Urrutia Gómez , Martin Krüger , Maike Schliephake , John Jbeily , Mario Vitacolonna , Rüdiger Rudolf , Markus Reischl

We review our recent work in the area of autonomous materials research, highlighting the coupling of machine learning methods and models and more problem-aware modeling. We review the general Bayesian framework for closed-loop design…

Materials Science · Physics 2021-03-16 Soojung Baek , Kristofer G. Reyes