{"title":"Supervised Factor Analysis Transfer: Calibration transfer with noise modeling and response variable integration","authors":"","doi":"10.1016/j.talanta.2024.126595","DOIUrl":null,"url":null,"abstract":"<div><p>Multivariate calibration models often encounter challenges in extrapolating beyond the calibration instruments due to variations in hardware configurations, signal processing algorithms, or environmental conditions. Calibration transfer techniques have been developed to mitigate this issue. In this study, we introduce a novel methodology known as Supervised Factor Analysis Transfer (SFAT) aimed at achieving robust and interpretable calibration transfer. SFAT operates from a probabilistic framework and integrates response variables into its transfer process to effectively align data from the target instrument to that of the source instrument. Within the SFAT model, the data from the source instrument, the target instrument, and the response variables are collectively projected onto a shared set of latent variables. These latent variables serve as the conduit for information transfer between the three distinct domains, thereby facilitating effective spectra transfer. Moreover, SFAT explicitly models the noise variances associated with each variable, thereby minimizing the transfer of non-informative noise. Furthermore, we provide empirical evidence showcasing the efficacy of SFAT across three real-world datasets, demonstrating its superior performance in calibration transfer scenarios.</p></div>","PeriodicalId":435,"journal":{"name":"Talanta","volume":null,"pages":null},"PeriodicalIF":5.6000,"publicationDate":"2024-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Talanta","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0039914024009743","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}
引用次数: 0
Abstract
Multivariate calibration models often encounter challenges in extrapolating beyond the calibration instruments due to variations in hardware configurations, signal processing algorithms, or environmental conditions. Calibration transfer techniques have been developed to mitigate this issue. In this study, we introduce a novel methodology known as Supervised Factor Analysis Transfer (SFAT) aimed at achieving robust and interpretable calibration transfer. SFAT operates from a probabilistic framework and integrates response variables into its transfer process to effectively align data from the target instrument to that of the source instrument. Within the SFAT model, the data from the source instrument, the target instrument, and the response variables are collectively projected onto a shared set of latent variables. These latent variables serve as the conduit for information transfer between the three distinct domains, thereby facilitating effective spectra transfer. Moreover, SFAT explicitly models the noise variances associated with each variable, thereby minimizing the transfer of non-informative noise. Furthermore, we provide empirical evidence showcasing the efficacy of SFAT across three real-world datasets, demonstrating its superior performance in calibration transfer scenarios.
期刊介绍:
Talanta provides a forum for the publication of original research papers, short communications, and critical reviews in all branches of pure and applied analytical chemistry. Papers are evaluated based on established guidelines, including the fundamental nature of the study, scientific novelty, substantial improvement or advantage over existing technology or methods, and demonstrated analytical applicability. Original research papers on fundamental studies, and on novel sensor and instrumentation developments, are encouraged. Novel or improved applications in areas such as clinical and biological chemistry, environmental analysis, geochemistry, materials science and engineering, and analytical platforms for omics development are welcome.
Analytical performance of methods should be determined, including interference and matrix effects, and methods should be validated by comparison with a standard method, or analysis of a certified reference material. Simple spiking recoveries may not be sufficient. The developed method should especially comprise information on selectivity, sensitivity, detection limits, accuracy, and reliability. However, applying official validation or robustness studies to a routine method or technique does not necessarily constitute novelty. Proper statistical treatment of the data should be provided. Relevant literature should be cited, including related publications by the authors, and authors should discuss how their proposed methodology compares with previously reported methods.