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Forecasting of in situ electron energy loss spectroscopy 被引量:2

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摘要 Forecasting models are a central part of many control systems,where high-consequence decisions must be made on long latency control variables.These models are particularly relevant for emerging artificial intelligence(AI)-guided instrumentation,in which prescriptive knowledge is needed to guide autonomous decision-making.Here we describe the implementation of a long short-term memory model(LSTM)for forecasting in situ electron energy loss spectroscopy(EELS)data,one of the richest analytical probes of materials and chemical systems.We describe key considerations for data collection,preprocessing,training,validation,and benchmarking,showing how this approach can yield powerful predictive insight into order-disorder phase transitions.Finally,we comment on how such a model may integrate with emerging AI-guided instrumentation for powerful high-speed experimentation.
出处 《npj Computational Materials》 SCIE EI CSCD 2022年第1期2400-2408,共9页 计算材料学(英文)
基金 C.D.,B.E.M.,S.A.,and S.R.S.were supported by the Chemical Dynamics Initiative/Investment,under the Laboratory Directed Research and Development(LDRD)Program at Pacific Northwest National Laboratory(PNNL) PNNL is a multi-program national laboratory operated for the U.S.Department of Energy(DOE)by Battelle Memorial Institute under Contract No.DE-AC05-76RL01830 N.L.,Y.J.,X.T.,and V.S.were supported by the Data Intensive Research Enabling Clean Technology(DI-RECT)National Science Foundation(NSF)National Research Traineeship(DGE-1633216) the State of Washington through the University of Washington(UW)Clean Energy Institute and the UW eScience Institute.
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