INFORMATION ENTROPY METHODS AND EXPERIMENTAL DESIGN

信息熵方法与实验设计

• 批准号: 8364011
• 负责人: KEITH A EARLE
• 金额: $ 0.14万
• 依托单位: CORNELL UNIVERSITY
• 依托单位国家: 美国
• 财政年份: 2011
• 资助国家: 美国
• 起止时间: 2011-09-01 至 2012-08-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8364011
• 关键词: Communities; Computer software; Data; Entropy; Experimental Designs; Frequencies; Funding; Grant; Methods; Modeling; National Center for Research Resources; Positioning Attribute; Principal Investigator; Process; Research; Research Infrastructure; Resources; Source; Structure; Techniques; Technology; United States National Institutes of Health; Variant; Work; computerized tools; computing resources; cost; research study; simulation software; tool

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. In general, different EPR experiments are sensitive to different model parameters. Thus, it is extremely useful to have a tool that can assess model or parameter sensitivity in order to optimize the experimental conditions under which data should be collected. The purpose of this subproject is to determine whether information entropy can inform this process. Regions of the spectrum that have high information entropy show the greatest variation in spectral amplitude as model parameters are varied. One may therefore quantify the sensitivity of a model to the available experimental conditions in an objective way. This is a general method that can in principle be used with any spectral simulation software to construct the information entropy as a function of spectral position. These techniques may thus be used to identify the key experiments to perform in order to decide among competing models. ACERT computational resources were used to develop spectral processing software that will be made available to the community. Currently, the software can be used for standard nitroxide experiments at any frequency. Work is underway to increase the range of models that may be studied with this computational tool, including the slowly-relaxing local structure (SRLS) model.

该子项目是利用资源的众多研究子项目之一 由 NIH/NCRR 资助的中心拨款提供。子项目的主要支持 并且子项目的主要研究者可能是由其他来源提供的， 包括其他 NIH 来源。 子项目可能列出的总成本 代表子项目使用的中心基础设施的估计数量， NCRR 赠款不直接向子项目或子项目工作人员提供资金。 一般来说，不同的EPR实验对不同的模型参数敏感。 因此，拥有一个可以评估模型或参数敏感性的工具非常有用，以便优化收集数据的实验条件。 该子项目的目的是确定信息熵是否可以为该过程提供信息。 随着模型参数的变化，具有高信息熵的频谱区域显示出最大的频谱幅度变化。 因此，人们可以客观地量化模型对可用实验条件的敏感性。 这是一种通用方法，原则上可以与任何光谱模拟软件一起使用，以构建作为光谱位置函数的信息熵。 因此，这些技术可用于识别要执行的关键实验，以便在竞争模型中做出决定。 ACERT 计算资源用于开发光谱处理软件，该软件将向社区提供。 目前，该软件可用于任何频率的标准硝基氧实验。 目前正在努力扩大可以用这种计算工具研究的模型范围，包括缓慢松弛局部结构（SRLS）模型。