Characterization of a Stable Adaptive Calibration Model Using Near-Infrared Spectroscopy and Partial Least Squares with a Kalman Filter

ABSTRACT

The calibration model of near-infrared (NIR) spectra established using the Kalman filter-partial least square (partial least squares combined with a Kalman filter) method can be adapted to outdated equipment, environmental changes, external samples, and other applications. However, the variance of the measurement noise estimation for NIR spectrum measurements cannot be easily obtained using Kalman filter-partial least squares; therefore, the variance in the measurement noise is often assumed to be zero for the Kalman filter-partial least square calibration model, which affects the stability of the model. In this study, the measured input and output data were used effectively, and the gamma test method for estimating the measurement noise variance was used to improve the stability of the Kalman filter-partial least square calibration model. First, an accurate estimation of the measurement noise variance was obtained, and accurate modeling was then performed using Kalman filter-partial least squares. Finally, 600 abandoned drilling fluid samples were used to confirm the validity of the proposed method. The Kalman filter-partial least square and gamma test-Kalman filter-partial least square methods are compared. Testing of external samples 401–600 demonstrated that the stability of the Kalman filter-partial least square model decreased. The root mean square error of the prediction of the Kalman filter-partial least square model was 27.135, which was worse than that of the gamma test-Kalman filter-partial least square model (20.307). The validation results show that the proposed method has better stability in tracking the evolution of the NIR spectrometer’s measurement state.

KEYWORDS:

• Chemical oxygen demand
• gamma test
• Kalman filter
• near-infrared spectroscopy
• partial least squares

Additional information

Funding

This work was financially supported by the National Natural Science Foundation of China (Grant No. 51375520), the Science and Technology Research Project of the Chongqing Municipal Education Committee (Grant Nos. KJ1603102 and KJ1401301), and the Scientific Research Innovation Team of Chongqing City Management College (Grant No. KYTD201709).