The Delaunay tessellation and topological regression is a local simplex method for multivariate calibration. The method, developed within computational geometry, has potential for applications in online analytical chemistry and process monitoring. This study proposes a novel approach to perform prediction and extrapolation using Delaunay calibration method. The main property of the proposed extension is the continuity of the estimated regression function also outside the calibration domain. To support the presentation, an application in estimating the aromatic composition in Light Cycle Oil by Near Infrared spectroscopy is discussed.
A continuous regression function for the Delaunay calibration method
BARATTI, ROBERTO;
2010-01-01
Abstract
The Delaunay tessellation and topological regression is a local simplex method for multivariate calibration. The method, developed within computational geometry, has potential for applications in online analytical chemistry and process monitoring. This study proposes a novel approach to perform prediction and extrapolation using Delaunay calibration method. The main property of the proposed extension is the continuity of the estimated regression function also outside the calibration domain. To support the presentation, an application in estimating the aromatic composition in Light Cycle Oil by Near Infrared spectroscopy is discussed.
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