T. Harkonen, Emma Hannula, M. Moores, E. Vartiainen, L. Roininen
{"title":"谱线窄化的对数高斯-考克斯过程","authors":"T. Harkonen, Emma Hannula, M. Moores, E. Vartiainen, L. Roininen","doi":"10.3934/fods.2023008","DOIUrl":null,"url":null,"abstract":"We propose a statistical model for narrowing line shapes in spectroscopy that are well approximated as linear combinations of Lorentzian or Voigt functions. We introduce a log-Gaussian Cox process to represent the peak locations thereby providing uncertainty quantification for the line narrowing. Bayesian formulation of the method allows for robust and explicit inclusion of prior information as probability distributions for parameters of the model. Estimation of the signal and its parameters is performed using a sequential Monte Carlo algorithm followed by an optimization step to determine the peak locations. Our method is validated using a simulation study and applied to a mineralogical Raman spectrum.","PeriodicalId":73054,"journal":{"name":"Foundations of data science (Springfield, Mo.)","volume":null,"pages":null},"PeriodicalIF":1.7000,"publicationDate":"2022-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"A log-Gaussian Cox process with sequential Monte Carlo for line narrowing in spectroscopy\",\"authors\":\"T. Harkonen, Emma Hannula, M. Moores, E. Vartiainen, L. Roininen\",\"doi\":\"10.3934/fods.2023008\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"We propose a statistical model for narrowing line shapes in spectroscopy that are well approximated as linear combinations of Lorentzian or Voigt functions. We introduce a log-Gaussian Cox process to represent the peak locations thereby providing uncertainty quantification for the line narrowing. Bayesian formulation of the method allows for robust and explicit inclusion of prior information as probability distributions for parameters of the model. Estimation of the signal and its parameters is performed using a sequential Monte Carlo algorithm followed by an optimization step to determine the peak locations. Our method is validated using a simulation study and applied to a mineralogical Raman spectrum.\",\"PeriodicalId\":73054,\"journal\":{\"name\":\"Foundations of data science (Springfield, Mo.)\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":1.7000,\"publicationDate\":\"2022-02-26\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Foundations of data science (Springfield, Mo.)\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.3934/fods.2023008\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"MATHEMATICS, APPLIED\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Foundations of data science (Springfield, Mo.)","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.3934/fods.2023008","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATHEMATICS, APPLIED","Score":null,"Total":0}
A log-Gaussian Cox process with sequential Monte Carlo for line narrowing in spectroscopy
We propose a statistical model for narrowing line shapes in spectroscopy that are well approximated as linear combinations of Lorentzian or Voigt functions. We introduce a log-Gaussian Cox process to represent the peak locations thereby providing uncertainty quantification for the line narrowing. Bayesian formulation of the method allows for robust and explicit inclusion of prior information as probability distributions for parameters of the model. Estimation of the signal and its parameters is performed using a sequential Monte Carlo algorithm followed by an optimization step to determine the peak locations. Our method is validated using a simulation study and applied to a mineralogical Raman spectrum.