Biometric Applications Based on Multiresolution Analysis Tools

This dissertation is dedicated to the development of new algorithms for biometric applications based on multiresolution analysis tools. Biometric is a unique, measurable characteristic of a human being that can be used to automatically recognize an individual or verify an individual\u27s identity. Biometrics can measure physiological, behavioral, physical and chemical characteristics of an individual. Physiological characteristics are based on measurements derived from direct measurement of a part of human body, such as, face, fingerprint, iris, retina etc. We focussed our investigations to fingerprint and face recognition since these two biometric modalities are used in conjunction to obtain reliable identification by various border security and law enforcement agencies. We developed an efficient and robust human face recognition algorithm for potential law enforcement applications. A generic fingerprint compression algorithm based on state of the art multiresolution analysis tool to speed up data archiving and recognition was also proposed. Finally, we put forth a new fingerprint matching algorithm by generating an efficient set of fingerprint features to minimize false matches and improve identification accuracy. Face recognition algorithms were proposed based on curvelet transform using kernel based principal component analysis and bidirectional two-dimensional principal component analysis and numerous experiments were performed using popular human face databases. Significant improvements in recognition accuracy were achieved and the proposed methods drastically outperformed conventional face recognition systems that employed linear one-dimensional principal component analysis. Compression schemes based on wave atoms decomposition were proposed and major improvements in peak signal to noise ratio were obtained in comparison to Federal Bureau of Investigation\u27s wavelet scalar quantization scheme. Improved performance was more pronounced and distinct at higher compression ratios. Finally, a fingerprint matching algorithm based on wave atoms decomposition, bidirectional two dimensional principal component analysis and extreme learning machine was proposed and noteworthy improvements in accuracy were realized

Poor Quality Fingerprint Recognition Based on Wave Atom Transform

Fingerprint is considered the most practical biometrics due to some specific features which make them widely accepted. Reliable feature extraction from poor quality fingerprint images is still the most challenging problem in fingerprint recognition system. Extracting features from poor fingerprint images is not an easy task. Recently, Multi-resolution transforms techniques have been widely used as a feature extractor in the field of biometric recognition. In this paper we develop a complete and an efficient fingerprint recognition system that can deal with poor quality fingerprint images. Identification of poor quality fingerprint images needs reliable preprocessing stage, in which an image alignment, segmentation, and enhancement processes are performed. We improve a popular enhancement technique by replacing the segmentation algorithm with another new one. We use Waveatom transforms in extracting distinctive features from the enhanced fingerprint images. The selected features are matched throw K-Nearest neighbor classifier techniques. We test our methodology in 114 subjects selected from a very challenges database; CASIA; and we achieve a high recognition rate of about 99.5%

Acquisition and processing of new data sources for improved condition monitoring of mechanical systems

190 p.Este trabajo está centrado en el desarrollo de nuevas formas de monitorización en línea del estado de salud de sistemas mecánicos mediante tecnologías poco utilizadas hasta ahora en este campo. En particular, se han investigado el uso de la monitorización de la viscosidad del aceite lubricante y la tecnología de análisis de las características de la corriente que alimenta el motor para obtener conocimiento sobre el estado de las cajas de engranajes. Por un lado, se presenta una nueva solución basada en materiales magnetoelásticos para la monitorización de la viscosidad del aceite lubricante. Por el otro, el análisis de la corriente alimentación del motor (MCSA por sus siglas en inglés) se presenta como alternativa de los acelerómetros tradicionales para la monitorización de anomalías mecánicas.En particular, se ha desarrollado un sensor magnetoelástico de viscosidad cinemática para mediciones en línea. La principal ventaja del sensor propuesto es su capacidad de medir en una amplia gama de valores de viscosidad (desde 32 cSt hasta 320 cSt). No se conoce ningún otro sensor equivalente comercialmente disponible con un rango similar.Con respecto al análisis de las características de la corriente de alimentación del motor (MCSA), el objetivo de la Tesis es poder diseñar un sistema para monitorizar una caja de engranajes en funcionamiento normal. En este sentido, se ha abordado el análisis de transitorios de velocidad, manteniendo la carga fija. Se ha utilizado un banco de pruebas de cajas de engranajes para reproducir diferentes fallos y adquirir datos en diferentes condiciones de operación

Acquisition and processing of new data sources for improved condition monitoring of mechanical systems

190 p.Este trabajo está centrado en el desarrollo de nuevas formas de monitorización en línea del estado de salud de sistemas mecánicos mediante tecnologías poco utilizadas hasta ahora en este campo. En particular, se han investigado el uso de la monitorización de la viscosidad del aceite lubricante y la tecnología de análisis de las características de la corriente que alimenta el motor para obtener conocimiento sobre el estado de las cajas de engranajes. Por un lado, se presenta una nueva solución basada en materiales magnetoelásticos para la monitorización de la viscosidad del aceite lubricante. Por el otro, el análisis de la corriente alimentación del motor (MCSA por sus siglas en inglés) se presenta como alternativa de los acelerómetros tradicionales para la monitorización de anomalías mecánicas.En particular, se ha desarrollado un sensor magnetoelástico de viscosidad cinemática para mediciones en línea. La principal ventaja del sensor propuesto es su capacidad de medir en una amplia gama de valores de viscosidad (desde 32 cSt hasta 320 cSt). No se conoce ningún otro sensor equivalente comercialmente disponible con un rango similar.Con respecto al análisis de las características de la corriente de alimentación del motor (MCSA), el objetivo de la Tesis es poder diseñar un sistema para monitorizar una caja de engranajes en funcionamiento normal. En este sentido, se ha abordado el análisis de transitorios de velocidad, manteniendo la carga fija. Se ha utilizado un banco de pruebas de cajas de engranajes para reproducir diferentes fallos y adquirir datos en diferentes condiciones de operación

Sparse Proteomics Analysis - A compressed sensing-based approach for feature selection and classification of high-dimensional proteomics mass spectrometry data

Background: High-throughput proteomics techniques, such as mass spectrometry (MS)-based approaches, produce very high-dimensional data-sets. In a clinical setting one is often interested in how mass spectra differ between patients of different classes, for example spectra from healthy patients vs. spectra from patients having a particular disease. Machine learning algorithms are needed to (a) identify these discriminating features and (b) classify unknown spectra based on this feature set. Since the acquired data is usually noisy, the algorithms should be robust against noise and outliers, while the identified feature set should be as small as possible. Results: We present a new algorithm, Sparse Proteomics Analysis (SPA), based on the theory of compressed sensing that allows us to identify a minimal discriminating set of features from mass spectrometry data-sets. We show (1) how our method performs on artificial and real-world data-sets, (2) that its performance is competitive with standard (and widely used) algorithms for analyzing proteomics data, and (3) that it is robust against random and systematic noise. We further demonstrate the applicability of our algorithm to two previously published clinical data-sets

NOVEL ALGORITHMS AND TOOLS FOR LIGAND-BASED DRUG DESIGN

Computer-aided drug design (CADD) has become an indispensible component in modern drug discovery projects. The prediction of physicochemical properties and pharmacological properties of candidate compounds effectively increases the probability for drug candidates to pass latter phases of clinic trials. Ligand-based virtual screening exhibits advantages over structure-based drug design, in terms of its wide applicability and high computational efficiency. The established chemical repositories and reported bioassays form a gigantic knowledgebase to derive quantitative structure-activity relationship (QSAR) and structure-property relationship (QSPR). In addition, the rapid advance of machine learning techniques suggests new solutions for data-mining huge compound databases. In this thesis, a novel ligand classification algorithm, Ligand Classifier of Adaptively Boosting Ensemble Decision Stumps (LiCABEDS), was reported for the prediction of diverse categorical pharmacological properties. LiCABEDS was successfully applied to model 5-HT1A ligand functionality, ligand selectivity of cannabinoid receptor subtypes, and blood-brain-barrier (BBB) passage. LiCABEDS was implemented and integrated with graphical user interface, data import/export, automated model training/ prediction, and project management. Besides, a non-linear ligand classifier was proposed, using a novel Topomer kernel function in support vector machine. With the emphasis on green high-performance computing, graphics processing units are alternative platforms for computationally expensive tasks. A novel GPU algorithm was designed and implemented in order to accelerate the calculation of chemical similarities with dense-format molecular fingerprints. Finally, a compound acquisition algorithm was reported to construct structurally diverse screening library in order to enhance hit rates in high-throughput screening

Machine learning activation energies of chemical reactions

Application of machine learning (ML) to the prediction of reaction activation barriers is a new and exciting field for these algorithms. The works covered here are specifically those in which ML is trained to predict the activation energies of homogeneous chemical reactions, where the activation energy is given by the energy difference between the reactants and transition state of a reaction. Particular attention is paid to works that have applied ML to directly predict reaction activation energies, the limitations that may be found in these studies, and where comparisons of different types of chemical features for ML models have been made. Also explored are models that have been able to obtain high predictive accuracies, but with reduced datasets, using the Gaussian process regression ML model. In these studies, the chemical reactions for which activation barriers are modeled include those involving small organic molecules, aromatic rings, and organometallic catalysts. Also provided are brief explanations of some of the most popular types of ML models used in chemistry, as a beginner's guide for those unfamiliar

ReSCon '09, Research Student Conference: Book of Abstracts

The second SED Research Student Conference (ReSCon2009) was hosted over three days, 22-24 June 2009, in the Lecture Centre at Brunel University. The conference consisted of technical presentations, a poster session and social events. The abstracts and presentations were the result of ongoing research by postgraduate research students from the School of Engineering and Design at Brunel University. The conference is held annually, and ReSCon plays a key role in contributing to research and innovations within the School

Computational Approaches to Drug Profiling and Drug-Protein Interactions

Despite substantial increases in R&D spending within the pharmaceutical industry, denovo drug design has become a time-consuming endeavour. High attrition rates led to a long period of stagnation in drug approvals. Due to the extreme costs associated with introducing a drug to the market, locating and understanding the reasons for clinical failure is key to future productivity. As part of this PhD, three main contributions were made in this respect. First, the web platform, LigNFam enables users to interactively explore similarity relationships between ‘drug like’ molecules and the proteins they bind. Secondly, two deep-learning-based binding site comparison tools were developed, competing with the state-of-the-art over benchmark datasets. The models have the ability to predict offtarget interactions and potential candidates for target-based drug repurposing. Finally, the open-source ScaffoldGraph software was presented for the analysis of hierarchical scaffold relationships and has already been used in multiple projects, including integration into a virtual screening pipeline to increase the tractability of ultra-large screening experiments. Together, and with existing tools, the contributions made will aid in the understanding of drug-protein relationships, particularly in the fields of off-target prediction and drug repurposing, helping to design better drugs faster