Ferroelectric domain walls are promising quasi-2D structures that can be leveraged for miniaturization of electronics components and new mechanisms to control electronic signals at the nanoscale.Despite the significan...Ferroelectric domain walls are promising quasi-2D structures that can be leveraged for miniaturization of electronics components and new mechanisms to control electronic signals at the nanoscale.Despite the significant progress in experiment and theory,however,most investigations on ferroelectric domain walls are still on a fundamental level,and reliable characterization of emergent transport phenomena remains a challenging task.展开更多
Machine learning(ML)has become critical for post-acquisition data analysis in(scanning)transmission electron microscopy,(S)TEM,imaging and spectroscopy.An emerging trend is the transition to real-time analysis and clo...Machine learning(ML)has become critical for post-acquisition data analysis in(scanning)transmission electron microscopy,(S)TEM,imaging and spectroscopy.An emerging trend is the transition to real-time analysis and closed-loop microscope operation.The effective use of ML in electron microscopy now requires the development of strategies for microscopy-centric experiment workflow design and optimization.Here,we discuss the associated challenges with the transition to active ML,including sequential data analysis and out-of-distribution drift effects,the requirements for edge operation,local and cloud data storage,and theory in the loop operations.Specifically,we discuss the relative contributions of human scientists and ML agents in the ideation,orchestration,and execution of experimental workflows,as well as the need to develop universal hyper languages that can apply across multiple platforms.These considerations will collectively inform the operationalization of ML in next-generation experimentation.展开更多
In pursuit of scientific discovery,vast collections of unstructured structural and functional images are acquired;however,only an infinitesimally small fraction of this data is rigorously analyzed,with an even smaller...In pursuit of scientific discovery,vast collections of unstructured structural and functional images are acquired;however,only an infinitesimally small fraction of this data is rigorously analyzed,with an even smaller fraction ever being published.One method to accelerate scientific discovery is to extract more insight from costly scientific experiments already conducted.Unfortunately,data from scientific experiments tend only to be accessible by the originator who knows the experiments and directives.Moreover,there are no robust methods to search unstructured databases of images to deduce correlations and insight.Here,we develop a machine learning approach to create image similarity projections to search unstructured image databases.To improve these projections,we develop and train a model to include symmetry-aware features.As an exemplar,we use a set of 25,133 piezoresponse force microscopy images collected on diverse materials systems over five years.We demonstrate how this tool can be used for interactive recursive image searching and exploration,highlighting structural similarities at various length scales.This tool justifies continued investment in federated scientific databases with standardized metadata schemas where the combination of filtering and recursive interactive searching can uncover synthesis-structure-property relations.We provide a customizable open-source package(https://github.com/m3-learning/Recursive_Symmetry_Aware_Materials_Microstructure_Explorer)of this interactive tool for researchers to use with their data.展开更多
基金D.M.is supported by the Norwegian University of Science and Technology(NTNU)through the Onsager Fellowship Program and the Outstanding Academic Fellows Program,the Peder Sather Center(UC Berkeley and Norway)acknowledges funding from the European Research Council(ERC)under the European Union’s Horizon 2020 research and innovation program(Grant agreement No.863691)+3 种基金S.K.acknowledges funding from the Deutsche Forschungsgemeinschaft via the Transregional Collaborative Research Center TRR80J.C.A.acknowledges support from the National Science Foundation under grant TRIPODS+X:RES-1839234the Nano/Human Interfaces Presidential Initiative,the Institute for Functional Materials and Devices,and the Institute for Intelligent Systems and Computation all at Lehigh University.D.R.S.and S.M.S.were supported by the Research Council of Norway(231430)and NTNUComputational resources for DFT calculations were provided by Sigma2 Uninett through the project NN9264K.Z.Y.and E.B.were supported by the U.S.Department of Energy,Office of Science,Basic Energy Sciences,Materials Sciences and Engineering Division under Contract No.DE-AC02-05-CH11231 within the Quantum Materials program-KC2202.
文摘Ferroelectric domain walls are promising quasi-2D structures that can be leveraged for miniaturization of electronics components and new mechanisms to control electronic signals at the nanoscale.Despite the significant progress in experiment and theory,however,most investigations on ferroelectric domain walls are still on a fundamental level,and reliable characterization of emergent transport phenomena remains a challenging task.
文摘Machine learning(ML)has become critical for post-acquisition data analysis in(scanning)transmission electron microscopy,(S)TEM,imaging and spectroscopy.An emerging trend is the transition to real-time analysis and closed-loop microscope operation.The effective use of ML in electron microscopy now requires the development of strategies for microscopy-centric experiment workflow design and optimization.Here,we discuss the associated challenges with the transition to active ML,including sequential data analysis and out-of-distribution drift effects,the requirements for edge operation,local and cloud data storage,and theory in the loop operations.Specifically,we discuss the relative contributions of human scientists and ML agents in the ideation,orchestration,and execution of experimental workflows,as well as the need to develop universal hyper languages that can apply across multiple platforms.These considerations will collectively inform the operationalization of ML in next-generation experimentation.
基金T.N.M.N.acknowledges primary support from the Nano/Human Interfaces Presidential Initiative and secondary support from National Science Foundation under grant TRIPODS+X:RES-1839234Y.G.,J.C.A.,S.Q.,and K.S.F.acknowledge primary support from National Science Foundation under grant TRIPODS+X:RES-1839234We graciously acknowledge all experimentalists who were involved in collecting the data used in this study.Contributors include Prof.Lane Martin and Ramamoorthy Ramesh.We want to recognize all trainees that took part in collecting this data,including Liv Dedon,Shishir Pandya,Anoop Damodaran,Sahar Saremi,Anoop Damodaran,Zhuhang Chen,Ran Gao,Shang-lin Hsu,Julia Mundy,Arvind Dasgupta,Gabe Velarde,Xiaoyan Lu,Sujit Das,Ajay Yadav,Bhagwati Prasad,James Clarkson,David Pesquera,Jieun Kim,Megha Acharya,Suraj Cheema,Eduardo Lupi,Wenbo Zhao,Lei Zhang,Margaret McCarter,Hongling Hu,and Derek Meyers.
文摘In pursuit of scientific discovery,vast collections of unstructured structural and functional images are acquired;however,only an infinitesimally small fraction of this data is rigorously analyzed,with an even smaller fraction ever being published.One method to accelerate scientific discovery is to extract more insight from costly scientific experiments already conducted.Unfortunately,data from scientific experiments tend only to be accessible by the originator who knows the experiments and directives.Moreover,there are no robust methods to search unstructured databases of images to deduce correlations and insight.Here,we develop a machine learning approach to create image similarity projections to search unstructured image databases.To improve these projections,we develop and train a model to include symmetry-aware features.As an exemplar,we use a set of 25,133 piezoresponse force microscopy images collected on diverse materials systems over five years.We demonstrate how this tool can be used for interactive recursive image searching and exploration,highlighting structural similarities at various length scales.This tool justifies continued investment in federated scientific databases with standardized metadata schemas where the combination of filtering and recursive interactive searching can uncover synthesis-structure-property relations.We provide a customizable open-source package(https://github.com/m3-learning/Recursive_Symmetry_Aware_Materials_Microstructure_Explorer)of this interactive tool for researchers to use with their data.