Physically-Constrained Autoencoder-Assisted Bayesian Optimization for Refinement of High-Dimensional Defect-Sensitive Single Crystalline Structure
具有物理约束的自编码器辅助贝叶斯优化用于高维缺陷敏感单晶结构的精修
Joseph Oche Agada, Andrew McAninch, Haley Day, Yasemin Tanyu, Ewan McCombs, Seyed M. Koohpayeh, Brian H. Toby, Yishu Wang, Arpan Biswas
机构
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Bredesen Center for Interdisciplinary Research, University of Tennessee, Knoxville, USA(跨学科研究中心,田纳西大学)
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Center for Advanced Material Science and Manufacturing, University of Tennessee, Knoxville, TN 37996, USA(先进材料科学与制造中心,田纳西大学)
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Department of Physics and Astronomy, University of Tennessee, Knoxville, TN 37996, USA(物理与天文学系,田纳西大学)
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Georgia Institute of Technology, Atlanta, GA 30332, USA(佐治亚理工学院)
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Virginia Polytechnic Institute and State University, Blacksburg, VA 24061, USA(弗吉尼亚理工大学)
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Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN 37996, USA(材料科学与工程系,田纳西大学)
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Department of Physics and Astronomy, Institute for Quantum Matter, Johns Hopkins University, Baltimore, MD 21218(物理与天文学系,量子物质研究所,约翰霍普金斯大学)
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Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, MD 21218(材料科学与工程系,约翰霍普金斯大学)
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The Ralph O’Connor Sustainable Energy Institute, Johns Hopkins University, Baltimore, MD 21218(罗伯特·奥康纳可持续能源研究所,约翰霍普金斯大学)
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Advanced Photon Source, Argonne National Lab, Lemont, IL 60439, USA(先进光子源,阿贡国家实验室)
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University of Tennessee-Oak Ridge Innovation Institute, Knoxville, TN 37996, USA(田纳西大学奥本创新研究所)