کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1168616 960598 2009 9 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Bayesian linear regression and variable selection for spectroscopic calibration
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
Bayesian linear regression and variable selection for spectroscopic calibration
چکیده انگلیسی

This paper presents a Bayesian approach to the development of spectroscopic calibration models. By formulating the linear regression in a probabilistic framework, a Bayesian linear regression model is derived, and a specific optimization method, i.e. Bayesian evidence approximation, is utilized to estimate the model “hyper-parameters”. The relation of the proposed approach to the calibration models in the literature is discussed, including ridge regression and Gaussian process model. The Bayesian model may be modified for the calibration of multivariate response variables. Furthermore, a variable selection strategy is implemented within the Bayesian framework, the motivation being that the predictive performance may be improved by selecting a subset of the most informative spectral variables. The Bayesian calibration models are applied to two spectroscopic data sets, and they demonstrate improved prediction results in comparison with the benchmark method of partial least squares.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Analytica Chimica Acta - Volume 631, Issue 1, 5 January 2009, Pages 13–21
نویسندگان
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