Chemometrics for Pattern Recognition

Over the past decade, pattern recognition has been one of the fastest growth points in chemometrics. This has been catalysed by the increase in capabilities of automated instruments such as LCMS, GCMS, and NMR, to name a few, to obtain large quantities of data, and, in parallel, the significant growth in applications especially in biomedical analytical chemical measurements of extracts from humans and animals, together with the increased capabilities of desktop computing. The interpretation of such multivariate datasets has required the application and development of new chemometric techniques such as pattern recognition, the focus of this work. Included within the text are: ‘Real world’ pattern recognition case studies from a wide variety of sources including biology, medicine, materials, pharmaceuticals, food, forensics and environmental science; Discussions of methods, many of which are also common in biology, biological analytical chemistry and machine learning; Common tools such as Partial Least Squares and Principal Components Analysis, as well as those that are rarely used in chemometrics such as Self Organising Maps and Support Vector Machines; Representation in full colour; Validation of models and hypothesis testing, and the underlying motivation of the methods, including how to avoid some common pitfalls. Relevant to active chemometricians and analytical scientists in industry, academia and government establishments as well as those involved in applying statistics and computational pattern recognition.

This book is the first of its kind to discuss error estimation with a model-based approach. From the basics of classifiers and error estimators to distributional and Bayesian theory, it covers important topics and essential issues pertaining to the scientific validity of pattern classification. Error Estimation for Pattern Recognition focuses on error estimation, which is a broad and poorly understood topic that reaches all research areas using pattern classification. It includes model-based approaches and discussions of newer error estimators such as bolstered and Bayesian estimators. This book was motivated by the application of pattern recognition to high-throughput data with limited replicates, which is a basic problem now appearing in many areas. The first two chapters cover basic issues in classification error estimation, such as definitions, test-set error estimation, and training-set error estimation. The remaining chapters in this book cover results on the performance and representation of training-set error estimators for various pattern classifiers. Additional features of the book include: • The latest results on the accuracy of error estimation • Performance analysis of re-substitution, cross-validation, and bootstrap error estimators using analytical and simulation approaches • Highly interactive computer-based exercises and end-of-chapter problems This is the first book exclusively about error estimation for pattern recognition. Ulisses M. Braga Neto is an Associate Professor in the Department of Electrical and Computer Engineering at Texas A&M University, USA. He received his PhD in Electrical and Computer Engineering from The Johns Hopkins University. Dr. Braga Neto received an NSF CAREER Award for his work on error estimation for pattern recognition with applications in genomic signal processing. He is an IEEE Senior Member. Edward R. Dougherty is a Distinguished Professor, Robert F. Kennedy ’26 Chair, and Scientific Director at the Center for Bioinformatics and Genomic Systems Engineering at Texas A&M University, USA. He is a fellow of both the IEEE and SPIE, and he has received the SPIE Presidents Award. Dr. Dougherty has authored several books including Epistemology of the Cell: A Systems Perspective on Biological Knowledge and Random Processes for Image and Signal Processing (Wiley-IEEE Press).

A timely convergence of two widely used disciplines Random Graphs for Statistical Pattern Recognition is the first book to address the topic of random graphs as it applies to statistical pattern recognition. Both topics are of vital interest to researchers in various mathematical and statistical fields and have never before been treated together in one book. The use of data random graphs in pattern recognition in clustering and classification is discussed, and the applications for both disciplines are enhanced with new tools for the statistical pattern recognition community. New and interesting applications for random graph users are also introduced. This important addition to statistical literature features: Information that previously has been available only through scattered journal articles Practical tools and techniques for a wide range of real-world applications New perspectives on the relationship between pattern recognition and computational geometry Numerous experimental problems to encourage practical applications With its comprehensive coverage of two timely fields, enhanced with many references and real-world examples, Random Graphs for Statistical Pattern Recognition is a valuable resource for industry professionals and students alike.

A new approach to the issue of data quality in pattern recognition Detailing foundational concepts before introducing more complex methodologies and algorithms, this book is a self-contained manual for advanced data analysis and data mining. Top-down organization presents detailed applications only after methodological issues have been mastered, and step-by-step instructions help ensure successful implementation of new processes. By positioning data quality as a factor to be dealt with rather than overcome, the framework provided serves as a valuable, versatile tool in the analysis arsenal. For decades, practical need has inspired intense theoretical and applied research into pattern recognition for numerous and diverse applications. Throughout, the limiting factor and perpetual problem has been data—its sheer diversity, abundance, and variable quality presents the central challenge to pattern recognition innovation. Pattern Recognition: A Quality of Data Perspective repositions that challenge from a hurdle to a given, and presents a new framework for comprehensive data analysis that is designed specifically to accommodate problem data. Designed as both a practical manual and a discussion about the most useful elements of pattern recognition innovation, this book: Details fundamental pattern recognition concepts, including feature space construction, classifiers, rejection, and evaluation Provides a systematic examination of the concepts, design methodology, and algorithms involved in pattern recognition Includes numerous experiments, detailed schemes, and more advanced problems that reinforce complex concepts Acts as a self-contained primer toward advanced solutions, with detailed background and step-by-step processes Introduces the concept of granules and provides a framework for granular computing Pattern recognition plays a pivotal role in data analysis and data mining, fields which are themselves being applied in an expanding sphere of utility. By facing the data quality issue head-on, this book provides students, practitioners, and researchers with a clear way forward amidst the ever-expanding data supply.

Statistical pattern recognition relates to the use of statistical techniques for analysing data measurements in order to extract information and make justified decisions. It is a very active area of study and research, which has seen many advances in recent years. Applications such as data mining, web searching, multimedia data retrieval, face recognition, and cursive handwriting recognition, all require robust and efficient pattern recognition techniques. This third edition provides an introduction to statistical pattern theory and techniques, with material drawn from a wide range of fields, including the areas of engineering, statistics, computer science and the social sciences. The book has been updated to cover new methods and applications, and includes a wide range of techniques such as Bayesian methods, neural networks, support vector machines, feature selection and feature reduction techniques.Technical descriptions and motivations are provided, and the techniques are illustrated using real examples. Statistical Pattern Recognition, 3rd Edition: Provides a self-contained introduction to statistical pattern recognition. Includes new material presenting the analysis of complex networks. Introduces readers to methods for Bayesian density estimation. Presents descriptions of new applications in biometrics, security, finance and condition monitoring. Provides descriptions and guidance for implementing techniques, which will be invaluable to software engineers and developers seeking to develop real applications Describes mathematically the range of statistical pattern recognition techniques. Presents a variety of exercises including more extensive computer projects. The in-depth technical descriptions make the book suitable for senior undergraduate and graduate students in statistics, computer science and engineering. Statistical Pattern Recognition is also an excellent reference source for technical professionals. Chapters have been arranged to facilitate implementation of the techniques by software engineers and developers in non-statistical engineering fields. www.wiley.com/go/statistical_pattern_recognition

Statistical pattern recognition is a very active area of study and research, which has seen many advances in recent years. New and emerging applications – such as data mining, web searching, multimedia data retrieval, face recognition, and cursive handwriting recognition – require robust and efficient pattern recognition techniques. Statistical decision making and estimation are regarded as fundamental to the study of pattern recognition. Statistical Pattern Recognition, Second Edition has been fully updated with new methods, applications and references. It provides a comprehensive introduction to this vibrant area – with material drawn from engineering, statistics, computer science and the social sciences – and covers many application areas, such as database design, artificial neural networks, and decision support systems. * Provides a self-contained introduction to statistical pattern recognition. * Each technique described is illustrated by real examples. * Covers Bayesian methods, neural networks, support vector machines, and unsupervised classification. * Each section concludes with a description of the applications that have been addressed and with further developments of the theory. * Includes background material on dissimilarity, parameter estimation, data, linear algebra and probability. * Features a variety of exercises, from 'open-book' questions to more lengthy projects. The book is aimed primarily at senior undergraduate and graduate students studying statistical pattern recognition, pattern processing, neural networks, and data mining, in both statistics and engineering departments. It is also an excellent source of reference for technical professionals working in advanced information development environments. For further information on the techniques and applications discussed in this book please visit www.statistical-pattern-recognition.net

The book introduces most of the basic tools of chemometrics including experimental design, signal analysis, statistical methods for analytical chemistry and multivariate methods. It then discusses a number of important applications including food chemistry, biological pattern recognition, reaction monitoring, optimisation of processes, medical applications. The book arises from a series of short articles that have been developed over four years on Chemweb (www.chemweb.com).

Learn how to apply rough-fuzzy computing techniques to solve problems in bioinformatics and medical image processing Emphasizing applications in bioinformatics and medical image processing, this text offers a clear framework that enables readers to take advantage of the latest rough-fuzzy computing techniques to build working pattern recognition models. The authors explain step by step how to integrate rough sets with fuzzy sets in order to best manage the uncertainties in mining large data sets. Chapters are logically organized according to the major phases of pattern recognition systems development, making it easier to master such tasks as classification, clustering, and feature selection. Rough-Fuzzy Pattern Recognition examines the important underlying theory as well as algorithms and applications, helping readers see the connections between theory and practice. The first chapter provides an introduction to pattern recognition and data mining, including the key challenges of working with high-dimensional, real-life data sets. Next, the authors explore such topics and issues as: Soft computing in pattern recognition and data mining A Mathematical framework for generalized rough sets, incorporating the concept of fuzziness in defining the granules as well as the set Selection of non-redundant and relevant features of real-valued data sets Selection of the minimum set of basis strings with maximum information for amino acid sequence analysis Segmentation of brain MR images for visualization of human tissues Numerous examples and case studies help readers better understand how pattern recognition models are developed and used in practice. This text—covering the latest findings as well as directions for future research—is recommended for both students and practitioners working in systems design, pattern recognition, image analysis, data mining, bioinformatics, soft computing, and computational intelligence.

An accessible and up-to-date treatment featuring the connection between neural networks and statistics A Statistical Approach to Neural Networks for Pattern Recognition presents a statistical treatment of the Multilayer Perceptron (MLP), which is the most widely used of the neural network models. This book aims to answer questions that arise when statisticians are first confronted with this type of model, such as: How robust is the model to outliers? Could the model be made more robust? Which points will have a high leverage? What are good starting values for the fitting algorithm? Thorough answers to these questions and many more are included, as well as worked examples and selected problems for the reader. Discussions on the use of MLP models with spatial and spectral data are also included. Further treatment of highly important principal aspects of the MLP are provided, such as the robustness of the model in the event of outlying or atypical data; the influence and sensitivity curves of the MLP; why the MLP is a fairly robust model; and modifications to make the MLP more robust. The author also provides clarification of several misconceptions that are prevalent in existing neural network literature. Throughout the book, the MLP model is extended in several directions to show that a statistical modeling approach can make valuable contributions, and further exploration for fitting MLP models is made possible via the R and S-PLUS® codes that are available on the book's related Web site. A Statistical Approach to Neural Networks for Pattern Recognition successfully connects logistic regression and linear discriminant analysis, thus making it a critical reference and self-study guide for students and professionals alike in the fields of mathematics, statistics, computer science, and electrical engineering.

A comprehensive overview of high-performance pattern recognition techniques and approaches to Computational Molecular Biology This book surveys the developments of techniques and approaches on pattern recognition related to Computational Molecular Biology. Providing a broad coverage of the field, the authors cover fundamental and technical information on these techniques and approaches, as well as discussing their related problems. The text consists of twenty nine chapters, organized into seven parts: Pattern Recognition in Sequences, Pattern Recognition in Secondary Structures, Pattern Recognition in Tertiary Structures, Pattern Recognition in Quaternary Structures, Pattern Recognition in Microarrays, Pattern Recognition in Phylogenetic Trees, and Pattern Recognition in Biological Networks. Surveys the development of techniques and approaches on pattern recognition in biomolecular data Discusses pattern recognition in primary, secondary, tertiary and quaternary structures, as well as microarrays, phylogenetic trees and biological networks Includes case studies and examples to further illustrate the concepts discussed in the book Pattern Recognition in Computational Molecular Biology: Techniques and Approaches is a reference for practitioners and professional researches in Computer Science, Life Science, and Mathematics. This book also serves as a supplementary reading for graduate students and young researches interested in Computational Molecular Biology.