کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1170433 | 1491173 | 2007 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
How to avoid over-fitting in multivariate calibration—The conventional validation approach and an alternative
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
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چکیده انگلیسی
This paper critically reviews the problem of over-fitting in multivariate calibration and the conventional validation-based approach to avoid it. It proposes a randomization test that enables one to assess the statistical significance of each component that enters the model. This alternative is compared with cross-validation and independent test set validation for the calibration of a near-infrared spectral data set using partial least squares (PLS) regression. The results indicate that the alternative approach is more objective, since, unlike the validation-based approach, it does not require the use of ‘soft’ decision rules. The alternative approach therefore appears to be a useful addition to the chemometrician's toolbox.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Analytica Chimica Acta - Volume 595, Issues 1–2, 9 July 2007, Pages 98–106
Journal: Analytica Chimica Acta - Volume 595, Issues 1–2, 9 July 2007, Pages 98–106
نویسندگان
N.M. Faber, R. Rajkó,