D3SC: Collaborative Research: Overcoming Challenges in Classification Near the Limit of Determination

D3SC：协作研究：克服接近确定极限的分类挑战

• 批准号: 2003867
• 负责人: Barry Lavine
• 金额: $ 30万
• 依托单位: Oklahoma State University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2020
• 资助国家: 美国
• 起止时间: 2020-08-01 至 2024-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2003867&HistoricalAwards=false
• 关键词: D3SC; Collaborative; Research; Overcoming; Challenges

With support from the Chemical Measurement & Imaging program in the Division of Chemistry, and partial co-funding from the Established Program to Stimulate Competitive Research (EPSCoR) and the Division of Mathematical Sciences, Professors Karl Booksh and Jocelyn Alcantara-Garcia at the University of Delaware, and Professor Barry Lavine at Oklahoma State University, are collaborating to improve the ability of hand-held chemical sensors for rapid sample classification. The problem is important, for example, for field analysis related to chemical forensics and art conservation, when the observed differences between two or more classes of interest are small compared to the natural variation among samples or among replicate measurements on a single sample. The team is developing advanced statistical and mathematical tools to enable quantitative determination of the statistical confidence with which the reliability of inferences can be assessed. The project entails combining information from two or more disparate sensors in order improve overall performance. Graduate and undergraduate students participating in this interdisciplinary research gain skills in advanced data analysis. These skills are in very high demand.This project is a collaborative effort aimed at investigating fundamental issues important to chemical modeling in modern measurement science: (1) improving classification model efficiency through variable selection, (2) assigning robust confidence levels to classifications that account for non-normal distributions of errors and class memberships, (3) increasing reliability of classification models when information from different sensors is available. The primary measurement tools are hand-held Laser Induced Breakdown Spectroscopy (LIBS) and X-Ray Fluorescence (XRF) data. This project probes the connections among variable selection, data fusion, optimization of instrumental parameters, and the performance of classification models. Targets include real-world classification applications where the class distribution and/or the measurement errors are not normally distributed. Nested bootstraps and genetic algorithms are being employed to solve this multilayered optimization problem. The developed methods will be modified as needed for PLS-DA, ANN-, and KNN-driven classifications. Resulting data sets will be made publicly available.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

在化学系化学测量与成像项目的支持下，以及刺激竞争性研究既定项目 (EPSCoR) 和数学科学系的部分共同资助下，卡尔·布克什 (Karl Booksh) 教授和乔斯林·阿尔坎塔拉-加西亚 (Jocelyn Alcantara-Garcia) 教授在特拉华州和俄克拉荷马州立大学的巴里·拉文教授正在合作提高手持式化学传感器快速样本分类的能力。 例如，对于与化学法证学和艺术品保护相关的现场分析，当两个或多个感兴趣类别之间观察到的差异与样本之间或单个样本的重复测量之间的自然变化相比很小时，这个问题就很重要。 该团队正在开发先进的统计和数学工具，以定量确定统计置信度，从而评估推论的可靠性。该项目需要结合来自两个或多个不同传感器的信息，以提高整体性能。参与这项跨学科研究的研究生和本科生获得高级数据分析技能。 这些技能的需求量非常大。该项目是一项协作项目，旨在研究对现代测量科学中化学建模重要的基本问题：(1) 通过变量选择提高分类模型效率，(2) 为分类分配可靠的置信水平对于误差和类别成员的非正态分布，(3) 当来自不同传感器的信息可用时，提高分类模型的可靠性。主要测量工具是手持式激光诱导击穿光谱 (LIBS) 和 X 射线荧光 (XRF) 数据。该项目探讨了变量选择、数据融合、仪器参数优化和分类模型性能之间的联系。目标包括真实世界的分类应用，其中类别分布和/或测量误差不是正态分布的。嵌套引导程序和遗传算法被用来解决这个多层优化问题。开发的方法将根据 PLS-DA、ANN 和 KNN 驱动分类的需要进行修改。由此产生的数据集将公开。该奖项反映了 NSF 的法定使命，并通过使用基金会的智力价值和更广泛的影响审查标准进行评估，被认为值得支持。

项目成果

Raman Spectroscopy to Enhance Investigative Lead Information in Automotive Clearcoats

拉曼光谱增强汽车清漆中的调查先导信息

• DOI: 10.1177/00037028231186838
• 发表时间: 2023-08
• 期刊: Applied Spectroscopy
• 影响因子: 3.5
• 作者: Affadu;Zhong, Haoran;Dahal, Kaushalya Sharma;Kalkan, Kaan;Zhang, Linqi;Lavine, Barry K.
• 通讯作者: Lavine, Barry K.

Authentication of edible oils using an infrared spectral library and digital sample sets: A feasibility study

使用红外光谱库和数字样本集鉴定食用油：可行性研究

• DOI: 10.1002/cem.3469
• 发表时间: 2023-01
• 期刊: Journal of Chemometrics
• 影响因子: 2.4
• 作者: Sota‐Uba, Isio;White, Collin G.;Booksh, Karl;Lavine, Barry K.
• 通讯作者: Lavine, Barry K.