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This handbook provides a comprehensive overview of Partial Least Squares (PLS) methods with specific reference to their use in marketing and with a discussion of the directions of current research and perspectives. It covers the broad area of PLS methods, from regression to structural equation modeling applications, software and interpretation of results. The handbook serves both as an introduction for those without prior knowledge of PLS and as a comprehensive reference for researchers and practitioners interested in the most recent advances in PLS methodology.
Multivariate Calibration Harald Martens, Chemist, Norwegian Food Research Institute, Aas, Norway and Norwegian Computing Center, Oslo, Norway Tormod Næs, Statistician, Norwegian Food Research Institute, Aas, Norway The aim of this inter-disciplinary book is to present an up-to-date view of multivariate calibration of analytical instruments, for use in research, development and routine laboratory and process operation. The book is intended to show practitioners in chemistry and technology how to extract the quantitative and understandable information embedded in non-selective, overwhelming and apparently useless measurements by multivariate data analysis. Multivariate calibration is the process of learning how to combine data from several channels, in order to overcome selectivity problems, gain new insight and allow automatic outlier detection. Multivariate calibration is the basis for the present success of high-speed Near-Infrared (NIR) diffuse spectroscopy of intact samples. But the technique is very general: it has shown similar advantages in, for instance, UV, Vis, and IR spectrophotometry, (transmittance, reflectance and fluorescence), for x-ray diffraction, NMR, MS, thermal analysis, chromatography (GC, HPLC) and for electrophoresis and image analysis (tomography, microscopy), as well as other techniques. The book is written at two levels: the main level is structured as a tutorial on the practical use of multivariate calibration techniques. It is intended for university courses and self-study for chemists and technologists, giving one complete and versatile approach, based mainly on data compression methodology in self-modelling PLS regression, with considerations of experimental design, data pre-processing and model validation. A second, more methodological, level is intended for statisticians and specialists in chemometrics. It compares several alternative calibration methods, validation approaches and ways to optimize the models. The book also outlines some cognitive changes needed in analytical chemistry, and suggests ways to overcome some communication problems between statistics and chemistry and technology.
Using JMP statistical discovery software from SAS, Discovering Partial Least Squares with JMP explores Partial Least Squares and positions it within the more general context of multivariate analysis. This book motivates current and potential users of JMP to extend their analytical repertoire by embracing PLS. Dynamically interacting with JMP, you will develop confidence as you explore underlying concepts and work through the examples. The authors provide background and guidance to support and empower you on this journey.
Partial Least Squares (PLS) is an estimation method and an algorithm for latent variable path (LVP) models. PLS is a component technique and estimates the latent variables as weighted aggregates. The implications of this choice are considered and compared to covariance structure techniques like LISREL, COSAN and EQS. The properties of special cases of PLS (regression, factor scores, structural equations, principal components, canonical correlation, hierarchical components, correspondence analysis, three-mode path and component analysis) are examined step by step and contribute to the understanding of the general PLS technique. The proof of the convergence of the PLS algorithm is extended beyond two-block models. Some 10 computer programs and 100 applications of PLS are referenced. The book gives the statistical underpinning for the computer programs PLS 1.8, which is in use in some 100 university computer centers, and for PLS/PC. It is intended to be the background reference for the users of PLS 1.8, not as textbook or program manual.
This edited book presents the recent developments in partial least squares-path modeling (PLS-PM) and provides a comprehensive overview of the current state of the most advanced research related to PLS-PM. The first section of this book emphasizes the basic concepts and extensions of the PLS-PM method. The second section discusses the methodological issues that are the focus of the recent development of the PLS-PM method. The third part discusses the real world application of the PLS-PM method in various disciplines. The contributions from expert authors in the field of PLS focus on topics such as the factor-based PLS-PM, the perfect match between a model and a mode, quantile composite-based path modeling (QC-PM), ordinal consistent partial least squares (OrdPLSc), non-symmetrical composite-based path modeling (NSCPM), modern view for mediation analysis in PLS-PM, a multi-method approach for identifying and treating unobserved heterogeneity, multigroup analysis (PLS-MGA), the assessment of the common method bias, non-metric PLS with categorical indicators, evaluation of the efficiency and accuracy of model misspecification and bootstrap parameter recovery in PLS-PM, CB-SEM, and the Bollen-Stine methods and importance-performance map analysis (IPMA) for nonlinear relationships. This book will be useful for researchers and practitioners interested in the latest advances in PLS-PM as well as master and Ph.D. students in a variety of disciplines using the PLS-PM method for their projects.
New Perspectives in Partial Least Squares and Related Methods shares original, peer-reviewed research from presentations during the 2012 partial least squares methods meeting (PLS 2012). This was the 7th meeting in the series of PLS conferences and the first to take place in the USA. PLS is an abbreviation for Partial Least Squares and is also sometimes expanded as projection to latent structures. This is an approach for modeling relations between data matrices of different types of variables measured on the same set of objects. The twenty-two papers in this volume, which include three invited contributions from our keynote speakers, provide a comprehensive overview of the current state of the most advanced research related to PLS and related methods. Prominent scientists from around the world took part in PLS 2012 and their contributions covered the multiple dimensions of the partial least squares-based methods. These exciting theoretical developments ranged from partial least squares regression and correlation, component based path modeling to regularized regression and subspace visualization. In following the tradition of the six previous PLS meetings, these contributions also included a large variety of PLS approaches such as PLS metamodels, variable selection, sparse PLS regression, distance based PLS, significance vs. reliability, and non-linear PLS. Finally, these contributions applied PLS methods to data originating from the traditional econometric/economic data to genomics data, brain images, information systems, epidemiology, and chemical spectroscopy. Such a broad and comprehensive volume will also encourage new uses of PLS models in work by researchers and students in many fields.
Partial least squares structural equation modeling (PLS-SEM) has become a standard approach for analyzing complex inter-relationships between observed and latent variables. Researchers appreciate the many advantages of PLS-SEM such as the possibility to estimate very complex models and the method’s flexibility in terms of data requirements and measurement specification. This practical open access guide provides a step-by-step treatment of the major choices in analyzing PLS path models using R, a free software environment for statistical computing, which runs on Windows, macOS, and UNIX computer platforms. Adopting the R software’s SEMinR package, which brings a friendly syntax to creating and estimating structural equation models, each chapter offers a concise overview of relevant topics and metrics, followed by an in-depth description of a case study. Simple instructions give readers the “how-tos” of using SEMinR to obtain solutions and document their results. Rules of thumb in every chapter provide guidance on best practices in the application and interpretation of PLS-SEM.
Evaluation of Econometric Models presents approaches to assessing and enhancing the progress of applied economic research. This book discusses the problems and issues in evaluating econometric models, use of exploratory methods in economic analysis, and model construction and evaluation when theoretical knowledge is scarce. The data analysis by partial least squares, prediction analysis of economic models, and aggregation and disaggregation of nonlinear equations are also elaborated. This text likewise covers the comparison of econometric models by optimal control techniques, role of time series analysis in econometric model evaluation, and hypothesis testing in spectral regression. Other topics include the relevance of laboratory experiments to testing resource allocation theory and token economy and animal models for the experimental analysis of economic behavior. This publication is intended for students and researchers interested in evaluating econometric models.
Preparative Chromatography for Separation of Proteins addresses a wide range of modeling, techniques, strategies, and case studies of industrial separation of proteins and peptides. • Covers broad aspects of preparative chromatography with a unique combination of academic and industrial perspectives • Presents Combines modeling with compliantce useing of Quality-by-Design (QbD) approaches including modeling • Features a variety of chromatographic case studies not readily accessible to the general public • Represents an essential reference resource for academic, industrial, and pharmaceutical researchers