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Extending Bayesian optimization to batch evaluation can enable the designer to make the most use of parallel computing technology. However, most of current batch approaches do not scale well with the batch size. That is, their performances…

Machine Learning · Computer Science 2025-04-25 Dawei Zhan , Zhaoxi Zeng , Shuoxiao Wei , Ping Wu

We present a novel computational paradigm for process design in manufacturing processes that incorporates simulation responses to optimize manufacturing process parameters in high-dimensional temporal and spatial design spaces. We developed…

Computational Engineering, Finance, and Science · Computer Science 2021-07-26 Mojtaba Mozaffar , Jian Cao

We propose a novel Bayesian Optimization approach for black-box functions with an environmental variable whose value determines the tradeoff between evaluation cost and the fidelity of the evaluations. Further, we use a novel approach to…

Machine Learning · Statistics 2018-05-16 Mark McLeod , Michael A. Osborne , Stephen J. Roberts

Optimizing warehouse layouts is crucial due to its significant impact on efficiency and productivity. We present an AI-driven framework for automated warehouse layout generation. This framework employs constrained beam search to derive…

Artificial Intelligence · Computer Science 2024-07-16 Atefeh Shahroudnejad , Payam Mousavi , Oleksii Perepelytsia , Sahir , David Staszak , Matthew E. Taylor , Brent Bawel

Quality control in industrial processes is increasingly making use of prior scientific knowledge, often encoded in physical models that require numerical approximation. Statistical prediction, and subsequent optimization, is key to ensuring…

Other Statistics · Statistics 2018-10-23 Antony Overstall , David Woods , Kieran Martin

A design optimization framework for process parameters of additive manufacturing based on finite element simulation is proposed. The finite element method uses a coupled thermomechanical model developed for fused deposition modeling from…

Numerical Analysis · Mathematics 2025-01-29 Jingyi Wang , Panayiotis Papadopoulos

Batched Bayesian optimization (BO) can accelerate molecular design by efficiently identifying top-performing compounds from a large chemical library. Existing acquisition strategies for batch design in BO aim to balance exploration and…

The power system of the future will be governed by complex interactions and non-linear phenomena at small time-scales, that should be studied more and more through computationally expensive software simulations. To solve the abovementioned…

Systems and Control · Electrical Eng. & Systems 2025-02-26 Marius Kuhn , Evelyn Heylen , Willem Leterme

The accelerating pace and expanding scope of materials discovery demand optimization frameworks that efficiently navigate vast, nonlinear design spaces while judiciously allocating limited evaluation resources. We present a cost-aware,…

Bayesian Optimization has become the reference method for the global optimization of black box, expensive and possibly noisy functions. Bayesian Op-timization learns a probabilistic model about the objective function, usually a Gaussian…

Machine Learning · Statistics 2020-03-10 Antonio Candelieri , Ilaria Giordani , Riccardo Perego , Francesco Archetti

The integration of advanced technologies, such as Artificial Intelligence (AI), into manufacturing processes is attracting significant attention, paving the way for the development of intelligent systems that enhance efficiency and…

Neural and Evolutionary Computing · Computer Science 2025-12-09 Mohammadhossein Ghahramani , Yan Qiao , NaiQi Wu , Mengchu Zhou

Control algorithms such as model predictive control (MPC) and state estimators rely on a number of different parameters. The performance of the closed loop usually depends on the correct setting of these parameters. Tuning is often done…

Systems and Control · Electrical Eng. & Systems 2020-10-15 David Stenger , Muzaffer Ay , Dirk Abel

Automated, data-driven quality management systems, which facilitate the transformation of data into useable information, are desired to enhance decision-making processes. Integration of accurate, reliable, and straightforward approaches…

Other Computer Science · Computer Science 2019-03-27 Wenying Ji

The increasing complexity of modern configurable systems makes it critical to improve the level of automation in the process of system configuration. Such automation can also improve the agility of the development cycle, allowing for rapid…

Formal Languages and Automata Theory · Computer Science 2021-08-20 Nestan Tsiskaridze , Maxwell Strange , Makai Mann , Kavya Sreedhar , Qiaoyi Liu , Mark Horowitz , Clark Barrett

Automatic Chemical Design is a framework for generating novel molecules with optimized properties. The original scheme, featuring Bayesian optimization over the latent space of a variational autoencoder, suffers from the pathology that it…

Machine Learning · Statistics 2019-08-13 Ryan-Rhys Griffiths , José Miguel Hernández-Lobato

Bayesian Optimization using Gaussian Processes is a popular approach to deal with the optimization of expensive black-box functions. However, because of the a priori on the stationarity of the covariance matrix of classic Gaussian…

Machine Learning · Statistics 2019-05-10 Ali Hebbal , Loic Brevault , Mathieu Balesdent , El-Ghazali Talbi , Nouredine Melab

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

Procedural material models have been gaining traction in many applications thanks to their flexibility, compactness, and easy editability. We explore the inverse rendering problem of procedural material parameter estimation from…

Graphics · Computer Science 2025-04-22 Yu Guo , Milos Hasan , Lingqi Yan , Shuang Zhao

Bayesian Optimization is a useful tool for experiment design. Unfortunately, the classical, sequential setting of Bayesian Optimization does not translate well into laboratory experiments, for instance battery design, where measurements may…

Machine Learning · Computer Science 2023-02-24 Jose Pablo Folch , Robert M Lee , Behrang Shafei , David Walz , Calvin Tsay , Mark van der Wilk , Ruth Misener

Bayesian optimization is a sample-efficient approach to global optimization that relies on theoretically motivated value heuristics (acquisition functions) to guide its search process. Fully maximizing acquisition functions produces the…

Machine Learning · Statistics 2018-12-04 James T. Wilson , Frank Hutter , Marc Peter Deisenroth