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Generating droplets from a continuous stream of fluid requires precise tuning of a device to find optimized control parameter conditions. It is analytically intractable to compute the necessary control parameter values of a…

Machine Learning · Computer Science 2022-01-19 Alexander E. Siemenn , Evyatar Shaulsky , Matthew Beveridge , Tonio Buonassisi , Sara M. Hashmi , Iddo Drori

Drop-on-demand (DOD) inkjet printing has been considered as one of promising technologies for the fabrication of advanced functional materials. For a DOD printer, high-precision dispensing techniques for achieving satellite-free smaller…

Fluid Dynamics · Physics 2022-08-25 Hanzhi Wang , Yosuke Hasegawa

We develop a fast and scalable computational framework to solve large-scale and high-dimensional Bayesian optimal experimental design problems. In particular, we consider the problem of optimal observation sensor placement for Bayesian…

Numerical Analysis · Mathematics 2020-11-09 Keyi Wu , Peng Chen , Omar Ghattas

The ability to extract material parameters of perovskite from quantitative experimental analysis is essential for rational design of photovoltaic and optoelectronic applications. However, the difficulty of this analysis increases…

We introduce a Bayesian optimization approach to guide the sputter deposition of molybdenum thin films, aiming to achieve desired residual stress and sheet resistance while minimizing susceptibility to stochastic fluctuations during…

Materials Science · Physics 2024-05-07 Ankit Shrivastava , Matias Kalaswad , Joyce O. Custer , David P. Adams , Habib N. Najm

Introduction. Reservoir computing is a growing paradigm for simplified training of recurrent neural networks, with a high potential for hardware implementations. Numerous experiments in optics and electronics yield comparable performance to…

Neural and Evolutionary Computing · Computer Science 2020-04-07 Piotr Antonik , Nicolas Marsal , Daniel Brunner , Damien Rontani

We describe a method for searching the optimal hyper-parameters in reservoir computing, which consists of a Gaussian process with Bayesian optimization. It provides an alternative to other frequently used optimization methods such as grid,…

Machine Learning · Computer Science 2017-06-15 Jan Yperman , Thijs Becker

The multi-level, multi-disciplinary and multi-fidelity optimization framework developed at Bombardier Aviation has shown great results to explore efficient and competitive aircraft configurations. This optimization framework has been…

Computational Engineering, Finance, and Science · Computer Science 2020-06-17 Remy Priem , Hugo Gagnon , Ian Chittick , Stephane Dufresne , Youssef Diouane , Nathalie Bartoli

We propose an algorithm for Bayesian functional optimisation - that is, finding the function to optimise a process - guided by experimenter beliefs and intuitions regarding the expected characteristics (length-scale, smoothness, cyclicity…

Machine Learning · Computer Science 2020-09-09 Alistair Shilton , Sunil Gupta , Santu Rana , Svetha Venkatesh

Correctly setting the parameters of a production machine is essential to improve product quality, increase efficiency, and reduce production costs while also supporting sustainability goals. Identifying optimal parameters involves an…

Machine Learning · Computer Science 2025-03-24 Philipp Wagner , Tobias Nagel , Philipp Leube , Marco F. Huber

Optimization strategies driven by machine learning, such as Bayesian optimization, are being explored across experimental sciences as an efficient alternative to traditional design of experiment. When combined with automated laboratory…

Optimization and Control · Mathematics 2022-10-18 Riley J. Hickman , Matteo Aldeghi , Florian Häse , Alán Aspuru-Guzik

Manipulating the shape of a liquid droplet is essential for a wide range of applications in medicine and industry. However, existing methods are typically limited to generating simple shapes, such as ellipses, or rely on predefined…

Systems and Control · Electrical Eng. & Systems 2025-05-20 P. A. Diluka Harischandra , Quan Zhou

Efficient optimization of molecules with targeted properties remains a significant challenge due to the vast size and discrete nature of chemical compound space. Conventional machine-learning-based optimization approaches typically require…

Chemical Physics · Physics 2026-03-04 Yun-Wen Mao , Roman V. Krems

Materials design can be cast as an optimization problem with the goal of achieving desired properties, by varying material composition, microstructure morphology, and processing conditions. Existence of both qualitative and quantitative…

Computational Physics · Physics 2019-07-08 Akshay Iyer , Yichi Zhang , Aditya Prasad , Siyu Tao , Yixing Wang , Linda Schadler , L Catherine Brinson , Wei Chen

Process optimization of photovoltaic devices is a time-intensive, trial and error endeavor, without full transparency of the underlying physics, and with user-imposed constraints that may or may not lead to a global optimum. Herein, we…

Laser dicing of semiconductor wafers is a critical step in microelectronic manufacturing, where multiple sequential laser passes precisely separate individual dies from the wafer. Adapting this complex sequential process to new wafer…

Machine Learning · Computer Science 2025-12-01 David Leeftink , Roman Doll , Heleen Visserman , Marco Post , Faysal Boughorbel , Max Hinne , Marcel van Gerven

Accelerated discovery in materials science demands autonomous systems capable of dynamically formulating and solving design problems. In this work, we introduce a novel framework that leverages Bayesian optimization over a problem…

Systems and Control · Electrical Eng. & Systems 2025-02-11 Danial Khatamsaz , Joseph Wagner , Brent Vela , Raymundo Arroyave , Douglas L. Allaire

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

Bayesian coresets have emerged as a promising approach for implementing scalable Bayesian inference. The Bayesian coreset problem involves selecting a (weighted) subset of the data samples, such that the posterior inference using the…

Machine Learning · Statistics 2021-03-01 Jacky Y. Zhang , Rajiv Khanna , Anastasios Kyrillidis , Oluwasanmi Koyejo

Perovskite photovoltaics (PV) have achieved rapid development in the past decade in terms of power conversion efficiency of small-area lab-scale devices; however, successful commercialization still requires further development of low-cost,…

Machine Learning · Computer Science 2022-02-08 Zhe Liu , Nicholas Rolston , Austin C. Flick , Thomas W. Colburn , Zekun Ren , Reinhold H. Dauskardt , Tonio Buonassisi
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