Multioutput Convolutional Neural Network for Improved Parameter Extraction in Time-Resolved Electrostatic Force Microscopy Data.

IF 5.3 2区 化学 Q1 CHEMISTRY, MEDICINAL
Madeleine D Breshears, Rajiv Giridharagopal, David S Ginger
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引用次数: 0

Abstract

Time-resolved scanning probe microscopy methods, like time-resolved electrostatic force microscopy (trEFM), enable imaging of dynamic processes ranging from ion motion in batteries to electronic dynamics in microstructured thin film semiconductors for solar cells. Reconstructing the underlying physical dynamics from these techniques can be challenging due to the interplay of cantilever physics with the actual transient kinetics of interest in the resulting signal. Previously, quantitative trEFM used empirical calibration of the cantilever or feed-forward neural networks trained on simulated data to extract the physical dynamics of interest. Both these approaches are limited by interpreting the underlying signal as a single exponential function, which serves as an approximation but does not adequately reflect many realistic systems. Here, we present a multibranched, multioutput convolutional neural network (CNN) that uses the trEFM signal in addition to the physical cantilever parameters as input. The trained CNN accurately extracts parameters describing both single-exponential and biexponential underlying functions and more accurately reconstructs real experimental data in the presence of noise. This work demonstrates an application of physics-informed machine learning to complex signal processing tasks, enabling more efficient and accurate analysis of trEFM.

多输出卷积神经网络改进时间分辨静电力显微镜数据的参数提取。
时间分辨扫描探针显微镜方法,如时间分辨静电力显微镜(trEFM),能够对从电池中的离子运动到太阳能电池微结构薄膜半导体中的电子动力学等动态过程进行成像。由于悬臂物理与结果信号中感兴趣的实际瞬态动力学的相互作用,从这些技术中重建潜在的物理动力学可能具有挑战性。以前,定量trEFM使用经验校准悬臂或前馈神经网络训练的模拟数据来提取感兴趣的物理动力学。这两种方法都受到将潜在信号解释为单个指数函数的限制,该函数作为近似值,但不能充分反映许多实际系统。在这里,我们提出了一个多分支、多输出的卷积神经网络(CNN),它使用trEFM信号和物理悬臂参数作为输入。训练后的CNN能够准确提取描述单指数和双指数底层函数的参数,在存在噪声的情况下更准确地重建真实实验数据。这项工作展示了物理信息机器学习在复杂信号处理任务中的应用,使trEFM分析更加有效和准确。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
CiteScore
9.80
自引率
10.70%
发文量
529
审稿时长
1.4 months
期刊介绍: The Journal of Chemical Information and Modeling publishes papers reporting new methodology and/or important applications in the fields of chemical informatics and molecular modeling. Specific topics include the representation and computer-based searching of chemical databases, molecular modeling, computer-aided molecular design of new materials, catalysts, or ligands, development of new computational methods or efficient algorithms for chemical software, and biopharmaceutical chemistry including analyses of biological activity and other issues related to drug discovery. Astute chemists, computer scientists, and information specialists look to this monthly’s insightful research studies, programming innovations, and software reviews to keep current with advances in this integral, multidisciplinary field. As a subscriber you’ll stay abreast of database search systems, use of graph theory in chemical problems, substructure search systems, pattern recognition and clustering, analysis of chemical and physical data, molecular modeling, graphics and natural language interfaces, bibliometric and citation analysis, and synthesis design and reactions databases.
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