Principal Component Analysis

This book is aimed at raising awareness of researchers, scientists and engineers on the benefits of Principal Component Analysis (PCA) in data analysis. In this book, the reader will find the applications of PCA in fields such as image processing, biometric, face recognition and speech processing. It also includes the core concepts and the state-of-the-art methods in data analysis and feature extraction

Principal Component Analysis

This book is aimed at raising awareness of researchers, scientists and engineers on the benefits of Principal Component Analysis (PCA) in data analysis. In this book, the reader will find the applications of PCA in fields such as taxonomy, biology, pharmacy,finance, agriculture, ecology, health and architecture

Data classification methodology for electronic noses using uniform manifold approximation and projection and extreme learning machine

The classification and use of robust methodologies in sensor array applications of electronic noses (ENs) remain an open problem. Among the several steps used in the developed methodologies, data preprocessing improves the classification accuracy of this type of sensor. Data preprocessing methods, such as data transformation and data reduction, enable the treatment of data with anomalies, such as outliers and features, that do not provide quality information; in addition, they reduce the dimensionality of the data, thereby facilitating the tasks of a machine learning classifier. To help solve this problem, in this study, a machine learning methodology is introduced to improve signal processing and develop methodologies for classification when an EN is used. The proposed methodology involves a normalization stage to scale the data from the sensors, using both the well-known min-max approach and the more recent mean-centered unitary group scaling (MCUGS). Next, a manifold learning algorithm for data reduction is applied using uniform manifold approximation and projection (UMAP). The dimensionality of the data at the input of the classification machine is reduced, and an extreme learning machine (ELM) is used as a machine learning classifier algorithm. To validate the EN classification methodology, three datasets of ENs were used. The first dataset was composed of 3600 measurements of 6 volatile organic compounds performed by employing 16 metal-oxide gas sensors. The second dataset was composed of 235 measurements of 3 different qualities of wine, namely, high, average, and low, as evaluated by using an EN sensor array composed of 6 different sensors. The third dataset was composed of 309 measurements of 3 different gases obtained by using an EN sensor array of 2 sensors. A 5-fold cross-validation approach was used to evaluate the proposed methodology. A test set consisting of 25% of the data was used to validate the methodology with unseen data. The results showed a fully correct average classification accuracy of 1 when the MCUGS, UMAP, and ELM methods were used. Finally, the effect of changing the number of target dimensions on the reduction of the number of data was determined based on the highest average classification accuracy.This work was funded in part with resources from the Fondo de Ciencia, Tecnología e Innovación (FCTeI) del Sistema General de Regalías (SGR) from Colombia. The authors express their gratitude to the Administrative Department of Science, Technology, and Innovation–Colciencias with the grant 779–“Convocatoria para la Formación de Capital Humano de Alto Nivel para el Departamento de Boyacá 2017” for sponsoring the research presented herein. This study has been partially funded by the Spanish Agencia Estatal de Investigación (AEI)-Ministerio de Economía, Industria y Competitividad (MINECO), and the Fondo Europeo de Desarrollo Regional (FEDER) through research projects DPI2017-82930-C2-1-R and PGC2018-097257-B-C33; and by the Generalitat de Catalunya through research projects 2017-SGR-388 and 2017-SGR-1278.Peer ReviewedPostprint (published version

Development and Application of Chemometric Methods for Modelling Metabolic Spectral Profiles

The interpretation of metabolic information is crucial to understanding the functioning of a biological system. Latent information about the metabolic state of a sample can be acquired using analytical chemistry methods, which generate spectroscopic profiles. Thus, nuclear magnetic resonance spectroscopy and mass spectrometry techniques can be employed to generate vast amounts of highly complex data on the metabolic content of biofluids and tissue, and this thesis discusses ways to process, analyse and interpret these data successfully. The evaluation of J -resolved spectroscopy in magnetic resonance profiling and the statistical techniques required to extract maximum information from the projections of these spectra are studied. In particular, data processing is evaluated, and correlation and regression methods are investigated with respect to enhanced model interpretation and biomarker identification. Additionally, it is shown that non-linearities in metabonomic data can be effectively modelled with kernel-based orthogonal partial least squares, for which an automated optimisation of the kernel parameter with nested cross-validation is implemented. The interpretation of orthogonal variation and predictive ability enabled by this approach are demonstrated in regression and classification models for applications in toxicology and parasitology. Finally, the vast amount of data generated with mass spectrometry imaging is investigated in terms of data processing, and the benefits of applying multivariate techniques to these data are illustrated, especially in terms of interpretation and visualisation using colour-coding of images. The advantages of methods such as principal component analysis, self-organising maps and manifold learning over univariate analysis are highlighted. This body of work therefore demonstrates new means of increasing the amount of biochemical information that can be obtained from a given set of samples in biological applications using spectral profiling. Various analytical and statistical methods are investigated and illustrated with applications drawn from diverse biomedical areas

Improving aircraft performance using machine learning: a review

This review covers the new developments in machine learning (ML) that are impacting the multi-disciplinary area of aerospace engineering, including fundamental fluid dynamics (experimental and numerical), aerodynamics, acoustics, combustion and structural health monitoring. We review the state of the art, gathering the advantages and challenges of ML methods across different aerospace disciplines and provide our view on future opportunities. The basic concepts and the most relevant strategies for ML are presented together with the most relevant applications in aerospace engineering, revealing that ML is improving aircraft performance and that these techniques will have a large impact in the near future

Advanced and novel modeling techniques for simulation, optimization and monitoring chemical engineering tasks with refinery and petrochemical unit applications

Engineers predict, optimize, and monitor processes to improve safety and profitability. Models automate these tasks and determine precise solutions. This research studies and applies advanced and novel modeling techniques to automate and aid engineering decision-making. Advancements in computational ability have improved modeling software’s ability to mimic industrial problems. Simulations are increasingly used to explore new operating regimes and design new processes. In this work, we present a methodology for creating structured mathematical models, useful tips to simplify models, and a novel repair method to improve convergence by populating quality initial conditions for the simulation’s solver. A crude oil refinery application is presented including simulation, simplification tips, and the repair strategy implementation. A crude oil scheduling problem is also presented which can be integrated with production unit models. Recently, stochastic global optimization (SGO) has shown to have success of finding global optima to complex nonlinear processes. When performing SGO on simulations, model convergence can become an issue. The computational load can be decreased by 1) simplifying the model and 2) finding a synergy between the model solver repair strategy and optimization routine by using the initial conditions formulated as points to perturb the neighborhood being searched. Here, a simplifying technique to merging the crude oil scheduling problem and the vertically integrated online refinery production optimization is demonstrated. To optimize the refinery production a stochastic global optimization technique is employed. Process monitoring has been vastly enhanced through a data-driven modeling technique Principle Component Analysis. As opposed to first-principle models, which make assumptions about the structure of the model describing the process, data-driven techniques make no assumptions about the underlying relationships. Data-driven techniques search for a projection that displays data into a space easier to analyze. Feature extraction techniques, commonly dimensionality reduction techniques, have been explored fervidly to better capture nonlinear relationships. These techniques can extend data-driven modeling’s process-monitoring use to nonlinear processes. Here, we employ a novel nonlinear process-monitoring scheme, which utilizes Self-Organizing Maps. The novel techniques and implementation methodology are applied and implemented to a publically studied Tennessee Eastman Process and an industrial polymerization unit

Computing Interpretable Representations of Cell Morphodynamics

Shape changes (morphodynamics) are one of the principal ways cells interact with their environments and perform key intrinsic behaviours like division. These dynamics arise from a myriad of complex signalling pathways that often organise with emergent simplicity to carry out critical functions including predation, collaboration and migration. A powerful method for analysis can therefore be to quantify this emergent structure, bypassing the low-level complexity. Enormous image datasets are now available to mine. However, it can be difficult to uncover interpretable representations of the global organisation of these heterogeneous dynamic processes. Here, such representations were developed for interpreting morphodynamics in two key areas: mode of action (MoA) comparison for drug discovery (developed using the economically devastating Asian soybean rust crop pathogen) and 3D migration of immune system T cells through extracellular matrices (ECMs). For MoA comparison, population development over a 2D space of shapes (morphospace) was described using two models with condition-dependent parameters: a top-down model of diffusive development over Waddington-type landscapes, and a bottom-up model of tip growth. A variety of landscapes were discovered, describing phenotype transitions during growth, and possible perturbations in the tip growth machinery that cause this variation were identified. For interpreting T cell migration, a new 3D shape descriptor that incorporates key polarisation information was developed, revealing low-dimensionality of shape, and the distinct morphodynamics of run-and-stop modes that emerge at minute timescales were mapped. Periodically oscillating morphodynamics that include retrograde deformation flows were found to underlie active translocation (run mode). Overall, it was found that highly interpretable representations could be uncovered while still leveraging the enormous discovery power of deep learning algorithms. The results show that whole-cell morphodynamics can be a convenient and powerful place to search for structure, with potentially life-saving applications in medicine and biocide discovery as well as immunotherapeutics.Open Acces

Artificial Intelligence Tools for Facial Expression Analysis.

Inner emotions show visibly upon the human face and are understood as a basic guide to an individual’s inner world. It is, therefore, possible to determine a person’s attitudes and the effects of others’ behaviour on their deeper feelings through examining facial expressions. In real world applications, machines that interact with people need strong facial expression recognition. This recognition is seen to hold advantages for varied applications in affective computing, advanced human-computer interaction, security, stress and depression analysis, robotic systems, and machine learning. This thesis starts by proposing a benchmark of dynamic versus static methods for facial Action Unit (AU) detection. AU activation is a set of local individual facial muscle parts that occur in unison constituting a natural facial expression event. Detecting AUs automatically can provide explicit benefits since it considers both static and dynamic facial features. For this research, AU occurrence activation detection was conducted by extracting features (static and dynamic) of both nominal hand-crafted and deep learning representation from each static image of a video. This confirmed the superior ability of a pretrained model that leaps in performance. Next, temporal modelling was investigated to detect the underlying temporal variation phases using supervised and unsupervised methods from dynamic sequences. During these processes, the importance of stacking dynamic on top of static was discovered in encoding deep features for learning temporal information when combining the spatial and temporal schemes simultaneously. Also, this study found that fusing both temporal and temporal features will give more long term temporal pattern information. Moreover, we hypothesised that using an unsupervised method would enable the leaching of invariant information from dynamic textures. Recently, fresh cutting-edge developments have been created by approaches based on Generative Adversarial Networks (GANs). In the second section of this thesis, we propose a model based on the adoption of an unsupervised DCGAN for the facial features’ extraction and classification to achieve the following: the creation of facial expression images under different arbitrary poses (frontal, multi-view, and in the wild), and the recognition of emotion categories and AUs, in an attempt to resolve the problem of recognising the static seven classes of emotion in the wild. Thorough experimentation with the proposed cross-database performance demonstrates that this approach can improve the generalization results. Additionally, we showed that the features learnt by the DCGAN process are poorly suited to encoding facial expressions when observed under multiple views, or when trained from a limited number of positive examples. Finally, this research focuses on disentangling identity from expression for facial expression recognition. A novel technique was implemented for emotion recognition from a single monocular image. A large-scale dataset (Face vid) was created from facial image videos which were rich in variations and distribution of facial dynamics, appearance, identities, expressions, and 3D poses. This dataset was used to train a DCNN (ResNet) to regress the expression parameters from a 3D Morphable Model jointly with a back-end classifier

REAL-TIME DATA MINING FOR PROCESS OPERATIONS USING GRAPHICS PROCESSING UNIT (GPU)-BASED HIGH PERFORMANCE COMPUTING

Ph.DDOCTOR OF PHILOSOPH