Subset selection using Combined Analytical Signal

• Published in: Microchemical journal 2023-07, Vol.190, p.108654, Article 108654
• Main Authors: Pomerantsev, A.L., Rodionova, O.Ye
• Format: Article
• Language: English
• Subjects: Combined Analytical Signal; DD-SIMCA; Representative subset selection; Test subset selection; The sample importance index; The total and full distances
• ISSN: 0026-265X; 1095-9149
• DOI: 10.1016/j.microc.2023.108654

[Display omitted] •A new concept of Combined Analytical Signal is used for the subset selection.•The method is suitable for single-block and multi- block data.•Each sample receives an importance index that takes values in the interval (0, 1)•This allows informed rather than blind subset selection. We propose a new method of subset selection based on the concept of Combined Analytical Signal. It is equally suitable for selecting both a representative subset and a test subset, for single-block (classification) and multi-block (regression) data. As a result of simple calculations, each sample from the entire data set receives an importance index (SI) that takes values in the interval (0, 1), with larger values corresponding to more influential samples. This allows informed rather than blind subset selection. The first example shows that the advocated method has efficiency that is better than that obtained using the Kennard-Stone and D-optimal design methods. Another example provides the detailed guidance on splitting dataset into training and test subsets for a single-block data.