The Application of Pattern Recognition and Factor Analysis to Chemistry
Author: Michael James Vandaveer
Publisher:
Published: 1980
Total Pages: 166
ISBN-13:
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Author: Michael James Vandaveer
Publisher:
Published: 1980
Total Pages: 166
ISBN-13:
DOWNLOAD EBOOKAuthor: Oldřich Štrouf
Publisher: Wiley-Blackwell
Published: 1986
Total Pages: 234
ISBN-13:
DOWNLOAD EBOOKAuthor: Diane Wolff
Publisher: Springer Science & Business Media
Published: 2012-12-06
Total Pages: 226
ISBN-13: 146159331X
DOWNLOAD EBOOKAn attempt is made in this book to give scientists a detailed working knowledge of the powerful mathematical tools available to aid in data interpretation, especially when con fronted with large data sets incorporating many parameters. A minimal amount of com puter knowledge is necessary for successful applications, and we have tried conscien tiously to provide this in the appropriate sections and references. Scientific data are now being produced at rates not believed possible ten years ago. A major goal in any sci entific investigation should be to obtain a critical evaluation of the data generated in a set of experiments in order to extract whatever useful scientific information may be present. Very often, the large number of measurements present in the data set does not make this an easy task. The goals of this book are thus fourfold. The first is to create a useful reference on the applications of these statistical pattern recognition methods to the sciences. The majority of our discussions center around the fields of chemistry, geology, environmen tal sciences, physics, and the biological and medical sciences. In Chapter IV a section is devoted to each of these fields. Since the applications of pattern recognition tech niques are essentially unlimited, restricted only by the outer limitations of.
Author: R.G. Brereton
Publisher: Elsevier
Published: 1992-09-04
Total Pages: 339
ISBN-13: 0080868363
DOWNLOAD EBOOKChemometrics originated from multivariate statistics in chemistry, and this field is still the core of the subject. The increasing availability of user-friendly software in the laboratory has prompted the need to optimize it safely. This work comprises material presented in courses organized from 1987-1992, aimed mainly at professionals in industry. The book covers approaches for pattern recognition as applied, primarily, to multivariate chemical data. These include data reduction and display techniques, principal components analysis and methods for classification and clustering. Comprehensive case studies illustrate the book, including numerical examples, and extensive problems are interspersed throughout the text. The book contains extensive cross-referencing between various chapters, comparing different notations and approaches, enabling readers from different backgrounds to benefit from it and to move around chapters at will. Worked examples and exercises are given, making the volume valuable for courses. Tutorial versions of SPECTRAMAP and SIRIUS are optionally available as a Software Supplement, at a low price, to accompany the text.
Author: Jahan B. Ghasemi
Publisher: Elsevier
Published: 2022-10-20
Total Pages: 212
ISBN-13: 0323907067
DOWNLOAD EBOOKMachine Learning and Pattern Recognition Methods in Chemistry from Multivariate and Data Driven Modeling outlines key knowledge in this area, combining critical introductory approaches with the latest advanced techniques. Beginning with an introduction of univariate and multivariate statistical analysis, the book then explores multivariate calibration and validation methods. Soft modeling in chemical data analysis, hyperspectral data analysis, and autoencoder applications in analytical chemistry are then discussed, providing useful examples of the techniques in chemistry applications. Drawing on the knowledge of a global team of researchers, this book will be a helpful guide for chemists interested in developing their skills in multivariate data and error analysis. Provides an introductory overview of statistical methods for the analysis and interpretation of chemical data Discusses the use of machine learning for recognizing patterns in multidimensional chemical data Identifies common sources of multivariate errors
Author: Nels H. Mahle
Publisher:
Published: 1974
Total Pages: 274
ISBN-13:
DOWNLOAD EBOOKAuthor: Barton Paul Simmons
Publisher:
Published: 1991
Total Pages: 274
ISBN-13:
DOWNLOAD EBOOKAuthor: Peter C. Jurs
Publisher: Wiley-Interscience
Published: 1975
Total Pages: 200
ISBN-13:
DOWNLOAD EBOOKAuthor: Dzulkiflee Ismail
Publisher:
Published: 2012
Total Pages: 0
ISBN-13:
DOWNLOAD EBOOKPattern recognition is a term that can be used to cover various stages of the investigation of characterising data sets including contributing to problem formulation and data collection through to discrimination, assessment and interpretation of results. Chemometrics techniques and Artificial Neural Networks (ANNs) are pattern recognition techniques commonly used to visualise and gather useful information from multidimensional datasets i.e. datasets with n-samples with m- variables. Of the many chemometric techniques available, Principal Component Analysis (PCA) and Hierarchical Cluster Analysis (HCA) are the most commonly used in the evaluation of dataset(s) generated from the analysis of samples which have relevance to forensic science. By contrast, Artificial Neural Networks (ANNs) and in particular Self Organising Feature Maps (SOFM) and Multi Layer Perceptron (MLP) have had limited application in forensic science eventhough these pattern recognition techniques have been known for almost 30 years. This study focuses on the applicability of the Artificial Neural Networks (ANNs) to specific datasets of forensic science interest and compares these with 'conventional' PCA and HCA techniques. Datasets generated from the analysis of wax based products and lighter fuels were used. The wax based product data set contained information obtained from Thin Layer Chromatography (TLC), Microspectrophotometry (MSP), Ultra-Violet and Visible Spectroscopy (UV/Vis) and Gas Chromatography with Flame Ionisation Detector (GC-FID) analysis of a variety of products from multiple sources where discrimination by brand was the objective. The data provided for the lighter fuel samples was obtained from analysis of a number of brands, both unevaporated and evaporated by Gas Chromatography-Mass Spectroscopy (GC-MS) and the objective was to discriminate the samples by brand as well as link degraded samples from the same brand together. The wax based product analysis provided simple, straight forward data whilst the lighter fuel analysis provided a more complicated and challenging dataset to investigate in terms of facilitating sample discrimination and/or linkage. In all cases, the 'conventional' Principal Component Analysis (PCA) and Hierarchical Cluster Analysis (HCA) failed to provide any meaningful discrimination of the samples by product type regardless of the nature of the datasets. In contrast, the Artificial Neural Networks (ANNs) techniques provided full discrimination of the samples by product type even when the samples had undergone considerable ageing and weathering. This work has demonstrated the potential use of Self Organising Feature Maps (SOFM) and Multi Layer Perceptron (MLP) to datasets of forensic science relevance. The findings of this work provide avenues for further exploration of Artificial Neural Networks (ANNs) in forensic science.
Author: David M. Hercules
Publisher: Springer Science & Business Media
Published: 2013-04-17
Total Pages: 391
ISBN-13: 1461334187
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