One class classifiers for process monitoring illustrated by the application to online HPLC of a continuous process

摘要

In process monitoring, a representative out-of-control class of samples cannot be generated. Here, it is assumed that it is possible to obtain a representative subset of samples from a single 'in-control class' and one class classifiers namely Q and D statistics (respectively the residual distance to the disjoint PC model and the Mahalanobis distance to the centre of the QDA model in the projected PC space), as well as support vector domain description (SVDD) are applied to disjoint PC models of the normal operating conditions (NOC) region, to categorise whether the process is in-control or out-of-control. To define the NOC region, the cumulative relative standard deviation (CRSD) and a test of multivariate normality are described and used as joint criteria. These calculations were based on the application of window principal components analysis (WPCA) which can be used to define a NOC region. The D and Q statistics and SVDD models were calculated for the NOC region and percentage predictive ability (%PA), percentage model stability (%MS) and percentage correctly classified (%CC) obtained to determine the quality of models from 100 training/test set splits. Q, D and SVDD control charts were obtained, and 90% confidence limits set up based on multivariate normality (D and Q) or SVDD D value (which does not require assumptions of normality). We introduce a method for finding an optimal radial basis function for the SVDD model and two new indices of percentage classification index (%CI) and percentage predictive index (%PI) for non-NOC samples are also defined. The methods in this paper are exemplified by a continuous process studied over 105.11 h using online HPLC.