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| 1 | Two-step machine learning enables optimized nanoparticle synthesis显示文摘In materials science,the discovery of recipes that yield nanomaterials with defined optical properties is costly and time-consuming.In this study,we present a two-step framework for a machine learning-driven high-throughput microfluidic platform to rapidly produce silver nanoparticles with the desired absorbance spectrum.Combining a Gaussian process-based Bayesian optimization(BO)with a deep neural network(DNN),the algorithmic framework is able to converge towards the target spectrum after sampling 120 conditions.Once the dataset is large enough to train the DNN with sufficient accuracy in the region of the target spectrum,the DNN is used to predict the colour palette accessible with the reaction synthesis.While remaining interpretable by humans,the proposed framework efficiently optimizes the nanomaterial synthesis and can extract fundamental knowledge of the relationship between chemical composition and optical properties,such as the role of each reactant on the shape and amplitude of the absorbance spectrum. | Flore Mekki-Berrada Zekun Ren Tan Huang Wai Kuan Wong Fang Zheng Jiaxun Xie Isaac Parker Siyu Tian Senthilnath Jayavelu Zackaria Mahfoud Daniil Bash Kedar Hippalgaonkar Saif Khan Tonio Buonassisi Qianxiao Li Xiaonan Wang | 2021 | npj Computational Materials2021，，1： | 3 |
| 2 | Benchmarking the performance of Bayesian optimization across multiple experimental materials science domains显示文摘Bayesian optimization(BO)has been leveraged for guiding autonomous and high-throughput experiments in materials science.However,few have evaluated the efficiency of BO across a broad range of experimental materials domains.In this work,we quantify the performance of BO with a collection of surrogate model and acquisition function pairs across five diverse experimental materials systems.By defining acceleration and enhancement metrics for materials optimization objectives,we find that surrogate models such as Gaussian Process(GP)with anisotropic kernels and Random Forest(RF)have comparable performance in BO,and both outperform the commonly used GP with isotropic kernels.GP with anisotropic kernels has demonstrated the most robustness,yet RF is a close alternative and warrants more consideration because it is free from distribution assumptions,has smaller time complexity,and requires less effort in initial hyperparameter selection.We also raise awareness about the benefits of using GP with anisotropic kernels in future materials optimization campaigns. | Qiaohao Liang Aldair E.Gongora Zekun Ren Armi Tiihonen Zhe Liu Shijing Sun James R.Deneault Daniil Bash Flore Mekki-Berrada Saif A.Khan Kedar Hippalgaonkar Benji Maruyama Keith A.Brown John Fisher III Tonio Buonassisi | 2021 | npj Computational Materials2021，，1： | 2 |
| 3 | Risk Implications of the New CKD Epidemiology Collaboration (CKD-EPI) Equation Compared With the MDRD Study Equation for Estimated GFR: The Atherosclerosis Risk in Communities (ARIC) Study显示文摘 | Kunihiro Matsushita Elizabeth Selvin Lori D. Bash Brad C. Astor Josef Coresh | 2010 | American Journal of Kidney Diseases2010，，4： | 2 |
| 4 | Laboratory study on the survival of water hyacinth under several conditions of heavy metal concentrations 显示文摘 | Soltan M E Bashed M N | 2003 | Advances in Environmental Research2003，，7： | 1 |
| 5 | An analysis of the quantityand diversity of messenger RNAs from pollen and shoots of Zea mays 显示文摘 | Willing R P Bashe D Mascarenhas J P | 1988 | Theor Appl C enet1988，75，5： | 1 |
| 6 | Acute reactions to intravascular contrast media: types risk factors, recogition, and specific treatment 显示文摘 | Swanson D P | 1991 | A JR1991，157，： | 1 |
| 7 | Percutaneous transcatheter implantation of an aortic valve prosthesis for calcific aortic stenosis: first human case description显示文摘 | CRIHIER A ELTCHANIRIOFF H BASH A | 2002 | Circulation2002，106，： | 1 |
| 8 | Percutaneous tran- scatheter implantation of an aortic valve prosthesis for calcific aortic stenosis: first human case description 显示文摘 | Cribier A Eltchaninoff H Bash A | 2002 | Circulation2002，106，24： | 1 |
| 9 | Percutaneous transcatheter implantation of an aortic valve prosthesis for calcific aortic stenosis:first human case description显示文摘 | Cribier A Eltchaninoff H Bash A | 2002 | Circulation2002，，24： | 1 |
| 10 | Interferon beta results in immediate reduction of contrast-enhanced MRI lesions in multiple sclerosis patients followed by weekly MRI显示文摘 | STONE LA BASH CN | 1997 | Neurology1997，48，5： | 1 |
| 11 | Role of FDG-PET in the clinical management of para- neoplastic neurological syndrome:detection of the underlying malignan- cy and the brain PET-MRI correlates显示文摘 | Bash S Alavi A | 2008 | Mol Imaging Biol2008，10，： | 1 |
| 12 | Poor glyvemic control in diaetes and the risk of incident chronic kidney disease even in the absence of albuminuria and retinopathy:Atheroscle-rosis Risk in Communties(ARIC)Study显示文摘 | Bash LD Selvin E Steffes M | 2008 | Arch intern Med2008，168，22： | 1 |
| 13 | Strategies for effective use of exergy-based modeling of data center thermal management systems 显示文摘 | McAllister S Carey V P Shah A Bash C Patel C | 2008 | Microelectronics Journal2008，39，7： | 1 |
| 14 | Renewable and cooling aware workload management for sustainable data centers 显示文摘 | Liu Z Chen Y Bash C | 2012 | ACM SIGMETRICS Performance Evaluation Review2012，40，1： | 1 |
| 15 | Percutaneous transcatheter implantation of an aortic valve prosthesis for calciilc aortic stenosis:first human case description 显示文摘 | Cribier A Ehchaninoff H Bash A | 2002 | Circulation2002，106，24： | 1 |
| 16 | Effect of stathmin on thesensitivity to antimicrotubule drugs in human breast cancer显示文摘 | Alii E Bash - Babula J Yang JM | 2002 | Cancer Res2002，62，23： | 1 |
| 17 | Intracranial vascular stenosis and occlusive disease:evaluation with CT angiography,MR angiography and digital subtraction angiography显示文摘 | Bash S Villa Blanca JP Johan R | 2005 | AJNR2005，26，5： | 1 |
| 18 | A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations显示文摘 | FIELD M J BASH P A KARPLUS M | 1990 | Journal of Computational Chemistry1990，11，6： | 1 |
| 19 | Percutaneous tran-scatheter implantation of an aortic valve prosthesis for calcific aorticstenosis: first human case description 显示文摘 | CRIBIER A ELTCHANINOFF H BASH A | 2002 | Circulation2002，106，24： | 1 |
| 20 | Specific in viwo association between the bHLH and LIM prnteins implicated in human T cell leukemia显示文摘 | Wadman I Li J Bash RO | 1994 | EMBO J1994，13，： | 1 |
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