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Computational Intelligence Techniques for Bioprocess Modelling, Supervision and Control 123 Prof.Dr.MariadoCarmoNicoletti CSDepartment UniversidadeFederaldeS.Carlos Rod.WashingtonLuiz,km235 CaixaPostal676 13565-905S.Carlos-SP Brazil E-mail:[email protected] Prof.Dr.LakhmiJain PhD,ME,BE(Hons),FellowIE(Aust) ProfessorofKnowledge-BasedEngineering SchoolofElectricalandInformationEngineering UniversityofSouthAustralia Adelaide MawsonLakesCampusSA5095 Australia E-mail:[email protected] ISBN 978-3-642-01887-9 e-ISBN978-3-642-01888-6 DOI 10.1007/978-3-642-01888-6 Studiesin Computational Intelligence ISSN1860949X Library of Congress Control Number:Applied for (cid:2)c 2009 Springer-Verlag Berlin Heidelberg This work is subject to copyright. 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Printed in acid-free paper 9 8 7 6 5 4 3 2 1 springer.com Preface Computational Intelligence (CI) and Bioprocess are well-established research areas which have much to offer each other. Under the perspective of the CI area, Biopro- cess can be considered a vast application area with a growing number of complex and challenging tasks to be dealt with, whose solutions can contribute to boosting the development of new intelligent techniques as well as to help the refinement and spe- cialization of many of the already existing techniques. Under the perspective of the Bioprocess area, CI can be considered a useful repertoire of theories, methods and techniques that can contribute and offer interesting alternative approaches for solving many of its problems, particularly those hard to solve using conventional techniques. Although throughout the past years CI and Bioprocess areas have accumulated substantial specific knowledge and progress has been quick and with a high degree of success, we believe there is still a long way to go in order to use the potentialities of the available CI techniques and knowledge at their full extent, as tools for supporting problem solving in bioprocesses. One of the reasons is the fact that both areas have progressed steadily and have been continuously accumulating and refining specific knowledge; another reason is the high level of technical expertise demanded by each of them. The acquisition of technical skills, experience and good insights in either of the two areas is very demanding and a hard task to be accomplished by any professional. As often happens with interdisciplinary areas, it is difficult to find experts in one of the two areas willing to get deeply involved in the other area, to the point of learning its specialized vocabulary, becoming familiar with its terminology, acquiring suffi- cient technical language to master communication as well as to understand its main concepts and many of its specialized procedures, so to become autonomous and knowledgeable in both and be able to devise efficient CI methods customised to bio- processes. Fortunately, in spite of their own technical vocabulary and language, both areas share a mathematical language, which can help to bridge the gap between the specialized technical languages employed by each of them. We believe that without a deep understanding of the problem, a good insight into choosing the technique most suitable for solving the problem and a very good com- mand of the chosen technique, its power and limitations, we will rarely find a reliable, appropriate and satisfactory solution to the problem at hand. The eleven chapters in this book as well as the Appendix intend to help those inter- ested in both CI techniques and Bioprocess become familiarized with the vocabulary, technical language and some of the main techniques and problems involved in both areas. The book covers the use of CI techniques in bioprocess related tasks namely modeling, supervision, monitoring and control, diagnostic, learning and optimization, with applications in several areas. Aimed at researchers, practitioners and graduate students, it may serve as a text for advanced courses in chemical engineering, bioin- formatics and biotechnology and for computer scientists interested in bioprocesses. Chapters are self-contained and many of them, besides their focus on theoretical VI Preface foundations, also include applications to real-world problems; they are briefly de- scribed next. (1) Computational Intelligence Techniques as Tools for Bioprocess Modelling, Optimization, Supervision and Control Presents an overview of recent and relevant works related to the use of CI techniques in Bioprocesses. (2) Software Sensors and their Applications in Bioprocess Clearly describes the motivations, design, implementation and use of software sen- sors and inferential estimation in bioprocesses, typically in fermentations. Research work on software sensor is reviewed and the associated techniques are introduced with examples and case studies. (3) Monitoring of Bioprocesses: Mechanistic and Data-driven Approaches Some state estimation techniques are theoretically discussed under two approaches, mechanistic and data-driven and real-world applications are presented. (4) Novel Computational Methods for Modeling and Control in Chemical and Bio- chemical Process Systems The chapter focuses on developing more efficient computational schemes for the modeling and control of chemical and biochemical processes. Artificial neural net- works are introduced and successfully used on a couple of benchmark problems. (5) Computational Intelligence Techniques for Supervision and Diagnosis of Biological Wastewater Treatment Systems Surveys artificial intelligence as well as statistics techniques used for monitoring and controlling wastewater treatment systems. The chapter covers knowledge based systems, fuzzy logic, neural networks and multivariate statistical methods. (6) Multiobjective Genetic Algorithms for the Optimization of Wastewater Treat- ment Processes This chapter presents a methodology for combining multiobjective genetic algo- rithms with wastewater treatment plant (WWTP) models for the evaluation, optimiza- tion and comparison of WWTP control laws. The use of the methodology on a case study is described. (7) Data Reconciliation Using Neural Networks for the Determination of K a L The problem of estimating the oxygen mass transfer coefficient (K a) in aerobic L fermentation using data reconciliation is described in the chapter. Data reconciliation is implemented in two different ways: one by minimizing an objective function that takes into account measurements and four estimation methods, and the other by using a previously trained NN. (8) A Computational Intelligent Based Approach for the Development of a Mini- mal Defined Medium Application to Human Interleukin-3 Production by Streptomy- ces lividans 66 The chapter describes an elaborated combination of different techniques aiming at identifying the composition of the optimum minimal medium for the production of rHuIL-3. The use of NN in combination with statistical techniques is part of the process. (9) Bioprocess Modelling for Learning Model Predictive Control (L-MPC) The chapter describes a data-driven modeling methodology for batch and fed batch processes. It also describes how developed models can be used for process monitor- ing, for ensuring process reproducibility through control and for optimizing process Preface VII performance by enforcing learning from previous runs through a control methodology named Learning Model Predictive Control (L-MPC). (10) Performance Monitoring and Batch to Batch Control of Biotechnological Processes This chapter describes two approaches to ensuring the production quality of batch biotechnological processes. (11) Modelling of Biotechnological Processes - An Approach Based on Artificial Neural Networks The chapter describes a software tool named FerMoANN, suitable for modeling fermentation processes. The use of the tool in two fermentation processes is presented and discussed. We wish to express our gratitude to the authors and reviewers for their contribu- tion. We are also grateful to the editorial team of Springer-Verlag and SCI Data Proc- essing Team for their assistance during the preparation of the manuscript. M.C. Nicoletti wishes to extend her thanks to Leonie C. Pearson for kindly reviewing many of her writings. M.C. Nicoletti, Brazil L.C. Jain, Australia Contents 1 Computational Intelligence Techniques as Tools for Bioprocess Modelling, Optimization, Supervision and Control..................................................... 1 M.C. Nicoletti, L.C. Jain, R.C. Giordano 2 Software Sensors and Their Applications in Bioprocess.................................................. 25 Hongwei Zhang 3 Monitoring of Bioprocesses: Mechanistic and Data-Driven Approaches................................................. 57 Laurent Dewasme, Philippe Bogaerts, Alain Vande Wouwer 4 Novel Computational Methods for Modeling and Control in Chemical and Biochemical Process Systems .................................................... 99 Petia Georgieva, Sebastia˜o Feyo de Azevedo 5 Computational Intelligence Techniques for Supervision and Diagnosis of Biological Wastewater Treatment Systems. 127 Ana M.A. Dias, Eug´enio C. Ferreira 6 Multiobjective Genetic Algorithms for the Optimisation of Wastewater Treatment Processes ........................ 163 Benoˆıt Beraud, Cyrille Lemoine, Jean-Philippe Steyer 7 Data Reconciliation Using Neural Networks for the Determination of K a ........................................................ 197 L Nilesh Patel, Jules Thibault X Contents 8 A Computational Intelligent Based Approach for the Development of a Minimal Defined Medium: Application to Human Interleukin-3 Production by Streptomyces lividans 66 ................................................. 215 Keyvan Nowruzi, Ali Elkamel, Jeno M. Scharer, Murray Moo-Young 9 Bioprocess Modelling for Learning Model Predictive Control (L-MPC)........................................... 237 Mar´ıa Antonieta Alvarez, Stuart M. Stocks, S. Bay Jørgensen 10 Performance Monitoring and Batch to Batch Control of Biotechnological Processes.................................. 281 Julian Morris, Jie Zhang 11 Modelling of Biotechnological Processes – An Approach Based on Artificial Neural Networks........................ 311 Eduardo Valente, Miguel Rocha, Eug´enio C. Ferreira, Isabel Rocha Appendix....................................................... 333 Author Index................................................... 343 1 Computational Intelligence Techniques as Tools for Bioprocess Modelling, Optimization, Supervision and Control M.C. Nicoletti1, L.C. Jain2, and R.C. Giordano3 1 Computer Science Dept., 3 Chemical Engineering Dept., Universidade Federal de S. Carlos −UFSCar Rod. Washington Luiz, km 235 Caixa Postal 676 13565-905 S. Carlos – SP, Brazil [email protected], [email protected] 2 School of Electrical and Information Engineering University of South Australia Adelaide, Australia [email protected] Abstract. This is an introductory chapter that presents a general review of some Computational Intelligence (CI) techniques used today, both in the biotechnol- ogy industry and in academic research. Various applications in bioprocess- related tasks are presented and discussed. The aim of putting forth a surveying view of the main tendencies in this field is to provide a broad panorama of the research in the intersection between the two areas, to highlight the popularity of a few CI techniques in Bioprocess applications and to discuss the potential benefits that other not so explored CI techniques could offer. 1 Introduction For the purpose of this introductory chapter we are calling Computational Intelligence (CI) the research area whose main focus is the investigation and use of techniques considered intelligent that can be automated by means of a computer program/system. They typically refer to search/optimization algorithms in general (including genetic algorithms, simulated annealing, particle swarm, etc.), neural networks, fuzzy logic and fuzzy inference, symbolic learning algorithms, clustering, feature subset selection and neuro-fuzzy systems. Although not conventionally considered computational intel- ligence techniques, many statistical methods are closely related to CI techniques and, as such, a few of them are dealt with in this book. It is also common to come across hybrid systems that implement a conveniently balanced combination of different CI (or CI/statistical) techniques aiming to compensate each other’s drawbacks and whose design and development can be also considered as one of the goals of CI (see [1]). Bioprocess modelling, optimization, supervision and control may be classified as a branch of Chemical (or, more recently, Biological or Bioprocess) Engineering. These M. do Carmo Nicoletti, L.C. Jain (Eds.): Comp. Intel. 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