کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
10560659 | 969741 | 2011 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Cluster resolution: A metric for automated, objective and optimized feature selection in chemometric modeling
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
A novel metric termed cluster resolution is presented. This metric compares the separation of clusters of data points while simultaneously considering the shapes of the clusters and their relative orientations. Using cluster resolution in conjunction with an objective variable ranking metric allows for fully automated feature selection for the construction of chemometric models. The metric is based upon considering the maximum size of confidence ellipses around clusters of points representing different classes of objects that can be constructed without any overlap of the ellipses. For demonstration purposes we utilized PCA to classify samples of gasoline based upon their octane rating. The entire GC-MS chromatogram of each sample comprising over 2Â ÃÂ 106 variables was considered. As an example, automated ranking by ANOVA was applied followed by a forward selection approach to choose variables for inclusion. This approach can be generally applied to feature selection for a variety of applications and represents a significant step towards the development of fully automated, objective construction of chemometric models.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Talanta - Volume 83, Issue 4, 30 January 2011, Pages 1079-1087
Journal: Talanta - Volume 83, Issue 4, 30 January 2011, Pages 1079-1087
نویسندگان
Nikolai A. Sinkov, James J. Harynuk,