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The BAREFOOT Optimization Framework

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Abstract

This work presents a description of the Batch Reification/Fusion Optimization Framework (BAREFOOT). BAREFOOT is a Bayesian Optimization (BO) Framework that has been built specifically for the aim of material optimization and design. The Framework combines multi-fidelity model fusion with batch BO to enable accelerated materials design. The Framework is built in Python and is available as open-source code. The Framework offers the capability to do pure Batch BO, pure Multi-Fidelity (sequential BO), or combine both methods. Since BO relies on acquisition functions, we have implemented many of the most commonly used acquisition functions in the Framework. Finally, the Framework is capable of both single- and multi-objective optimization approaches. This work presents an overview of the Framework and the calculation methods available and demonstrates the Framework’s performance based on generic optimization test functions.

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Acknowledgements

This work was carried out with support of NSF through Grant No. 1663130. JJ was supported through a AFRL/TAMU Data-Enabled Discovery and Design of Materials (D\(^3\)EM) MLP program, under subcontract No. UTC-165852-19F5830-19-02-C1 and NSF Grant No. 1545403. RA also acknowledges NSF through Grants No. 1534534 and 1835690. Evaluations of the BAREFOOT framework were conducted with the advanced computing resources provided by Texas A&M High Performance Research Computing.

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Authors and Affiliations

  1. Materials Science and Engineering Department, Texas A&M University, College Station, Texas, USA

    Richard Couperthwaite, Abhilash Molkeri, Jaylen James, Ankit Srivastava & Raymundo Arróyave

  2. J. Mike Walker ’66 Department of Mechanical Engineering, Texas A&M University, College Station, Texas, USA

    Danial Khatamsaz, Douglas Allaire & Raymundo Arróyave

  3. Department of Industrial and Systems Engineering, Texas A&M University, College Station, Texas, USA

    Raymundo Arróyave

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  1. Richard Couperthwaite
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Correspondence to Richard Couperthwaite.

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Couperthwaite, R., Khatamsaz, D., Molkeri, A. et al. The BAREFOOT Optimization Framework. Integr Mater Manuf Innov 10, 644–660 (2021). https://doi.org/10.1007/s40192-021-00235-2

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