A framework for in-silico formulation design using multivariate latent variable regression methods

2011 ◽  
Vol 418 (2) ◽  
pp. 235-242 ◽  
Author(s):  
Mark A. Polizzi ◽  
Salvador García-Muñoz
Author(s):  
Fouzi Harrou ◽  
Ying Sun ◽  
Amanda S. Hering ◽  
Muddu Madakyaru ◽  
Abdelkader Dairi

Author(s):  
Mohamed N. Nounou ◽  
Hazem N. Nounou ◽  
Muddu Madakyaru

Measured process data are a valuable source of information about the processes they are collected from. Unfortunately, measurements are usually contaminated with errors that mask the important features in the data and degrade the quality of any related operation. Wavelet-based multiscale filtering is known to provide effective noise-feature separation. Here, the effectiveness of multiscale filtering over conventional low pass filters is illustrated though their application to chemical and biological systems. For biological systems, various online and batch multiscale filtering techniques are used to enhance the quality of metabolic and copy number data. Dynamic metabolic data are usually used to develop genetic regulatory network models that can describe the interactions among different genes inside the cell in order to design intervention techniques to cure/manage certain diseases. Copy number data, however, are usually used in the diagnosis of diseases by determining the locations and extent of variations in DNA sequences. Two case studies are presented, one involving simulated metabolic data and the other using real copy number data. For chemical processes it is shown that multiscale filtering can greatly enhance the prediction accuracy of inferential models, which are commonly used to estimate key process variables that are hard to measure. In this chapter, we present a multiscale inferential modeling technique that integrates the advantages of latent variable regression methods with the advantages of multiscale filtering, and is called Integrated Multiscale Latent Variable Regression (IMSLVR). IMSLVR performance is illustrated via a case study using synthetic data and another using simulated distillation column data.


2013 ◽  
Vol 2013 ◽  
pp. 1-17 ◽  
Author(s):  
Muddu Madakyaru ◽  
Mohamed N. Nounou ◽  
Hazem N. Nounou

Proper control of distillation columns requires estimating some key variables that are challenging to measure online (such as compositions), which are usually estimated using inferential models. Commonly used inferential models include latent variable regression (LVR) techniques, such as principal component regression (PCR), partial least squares (PLS), and regularized canonical correlation analysis (RCCA). Unfortunately, measured practical data are usually contaminated with errors, which degrade the prediction abilities of inferential models. Therefore, noisy measurements need to be filtered to enhance the prediction accuracy of these models. Multiscale filtering has been shown to be a powerful feature extraction tool. In this work, the advantages of multiscale filtering are utilized to enhance the prediction accuracy of LVR models by developing an integrated multiscale LVR (IMSLVR) modeling algorithm that integrates modeling and feature extraction. The idea behind the IMSLVR modeling algorithm is to filter the process data at different decomposition levels, model the filtered data from each level, and then select the LVR model that optimizes a model selection criterion. The performance of the developed IMSLVR algorithm is illustrated using three examples, one using synthetic data, one using simulated distillation column data, and one using experimental packed bed distillation column data. All examples clearly demonstrate the effectiveness of the IMSLVR algorithm over the conventional methods.


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