127 research outputs found

    Novel chemometric proposals for advanced multivariate data analysis, processing and interpretation

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    The present Ph.D. thesis, primarily conceived to support and reinforce the relation between academic and industrial worlds, was developed in collaboration with Shell Global Solutions (Amsterdam, The Netherlands) in the endeavour of applying and possibly extending well-established latent variable-based approaches (i.e. Principal Component Analysis - PCA - Partial Least Squares regression - PLS - or Partial Least Squares Discriminant Analysis - PLSDA) for complex problem solving not only in the fields of manufacturing troubleshooting and optimisation, but also in the wider environment of multivariate data analysis. To this end, novel efficient algorithmic solutions are proposed throughout all chapters to address very disparate tasks, from calibration transfer in spectroscopy to real-time modelling of streaming flows of data. The manuscript is divided into the following six parts, focused on various topics of interest: Part I - Preface, where an overview of this research work, its main aims and justification is given together with a brief introduction on PCA, PLS and PLSDA; Part II - On kernel-based extensions of PCA, PLS and PLSDA, where the potential of kernel techniques, possibly coupled to specific variants of the recently rediscovered pseudo-sample projection, formulated by the English statistician John C. Gower, is explored and their performance compared to that of more classical methodologies in four different applications scenarios: segmentation of Red-Green-Blue (RGB) images, discrimination of on-/off-specification batch runs, monitoring of batch processes and analysis of mixture designs of experiments; Part III - On the selection of the number of factors in PCA by permutation testing, where an extensive guideline on how to accomplish the selection of PCA components by permutation testing is provided through the comprehensive illustration of an original algorithmic procedure implemented for such a purpose; Part IV - On modelling common and distinctive sources of variability in multi-set data analysis, where several practical aspects of two-block common and distinctive component analysis (carried out by methods like Simultaneous Component Analysis - SCA - DIStinctive and COmmon Simultaneous Component Analysis - DISCO-SCA - Adapted Generalised Singular Value Decomposition - Adapted GSVD - ECO-POWER, Canonical Correlation Analysis - CCA - and 2-block Orthogonal Projections to Latent Structures - O2PLS) are discussed, a new computational strategy for determining the number of common factors underlying two data matrices sharing the same row- or column-dimension is described, and two innovative approaches for calibration transfer between near-infrared spectrometers are presented; Part V - On the on-the-fly processing and modelling of continuous high-dimensional data streams, where a novel software system for rational handling of multi-channel measurements recorded in real time, the On-The-Fly Processing (OTFP) tool, is designed; Part VI - Epilogue, where final conclusions are drawn, future perspectives are delineated, and annexes are included.La presente tesis doctoral, concebida principalmente para apoyar y reforzar la relación entre la academia y la industria, se desarrolló en colaboración con Shell Global Solutions (Amsterdam, Países Bajos) en el esfuerzo de aplicar y posiblemente extender los enfoques ya consolidados basados en variables latentes (es decir, Análisis de Componentes Principales - PCA - Regresión en Mínimos Cuadrados Parciales - PLS - o PLS discriminante - PLSDA) para la resolución de problemas complejos no sólo en los campos de mejora y optimización de procesos, sino también en el entorno más amplio del análisis de datos multivariados. Con este fin, en todos los capítulos proponemos nuevas soluciones algorítmicas eficientes para abordar tareas dispares, desde la transferencia de calibración en espectroscopia hasta el modelado en tiempo real de flujos de datos. El manuscrito se divide en las seis partes siguientes, centradas en diversos temas de interés: Parte I - Prefacio, donde presentamos un resumen de este trabajo de investigación, damos sus principales objetivos y justificaciones junto con una breve introducción sobre PCA, PLS y PLSDA; Parte II - Sobre las extensiones basadas en kernels de PCA, PLS y PLSDA, donde presentamos el potencial de las técnicas de kernel, eventualmente acopladas a variantes específicas de la recién redescubierta proyección de pseudo-muestras, formulada por el estadista inglés John C. Gower, y comparamos su rendimiento respecto a metodologías más clásicas en cuatro aplicaciones a escenarios diferentes: segmentación de imágenes Rojo-Verde-Azul (RGB), discriminación y monitorización de procesos por lotes y análisis de diseños de experimentos de mezclas; Parte III - Sobre la selección del número de factores en el PCA por pruebas de permutación, donde aportamos una guía extensa sobre cómo conseguir la selección de componentes de PCA mediante pruebas de permutación y una ilustración completa de un procedimiento algorítmico original implementado para tal fin; Parte IV - Sobre la modelización de fuentes de variabilidad común y distintiva en el análisis de datos multi-conjunto, donde discutimos varios aspectos prácticos del análisis de componentes comunes y distintivos de dos bloques de datos (realizado por métodos como el Análisis Simultáneo de Componentes - SCA - Análisis Simultáneo de Componentes Distintivos y Comunes - DISCO-SCA - Descomposición Adaptada Generalizada de Valores Singulares - Adapted GSVD - ECO-POWER, Análisis de Correlaciones Canónicas - CCA - y Proyecciones Ortogonales de 2 conjuntos a Estructuras Latentes - O2PLS). Presentamos a su vez una nueva estrategia computacional para determinar el número de factores comunes subyacentes a dos matrices de datos que comparten la misma dimensión de fila o columna y dos planteamientos novedosos para la transferencia de calibración entre espectrómetros de infrarrojo cercano; Parte V - Sobre el procesamiento y la modelización en tiempo real de flujos de datos de alta dimensión, donde diseñamos la herramienta de Procesamiento en Tiempo Real (OTFP), un nuevo sistema de manejo racional de mediciones multi-canal registradas en tiempo real; Parte VI - Epílogo, donde presentamos las conclusiones finales, delimitamos las perspectivas futuras, e incluimos los anexos.La present tesi doctoral, concebuda principalment per a recolzar i reforçar la relació entre l'acadèmia i la indústria, es va desenvolupar en col·laboració amb Shell Global Solutions (Amsterdam, Països Baixos) amb l'esforç d'aplicar i possiblement estendre els enfocaments ja consolidats basats en variables latents (és a dir, Anàlisi de Components Principals - PCA - Regressió en Mínims Quadrats Parcials - PLS - o PLS discriminant - PLSDA) per a la resolució de problemes complexos no solament en els camps de la millora i optimització de processos, sinó també en l'entorn més ampli de l'anàlisi de dades multivariades. A aquest efecte, en tots els capítols proposem noves solucions algorítmiques eficients per a abordar tasques dispars, des de la transferència de calibratge en espectroscopia fins al modelatge en temps real de fluxos de dades. El manuscrit es divideix en les sis parts següents, centrades en diversos temes d'interès: Part I - Prefaci, on presentem un resum d'aquest treball de recerca, es donen els seus principals objectius i justificacions juntament amb una breu introducció sobre PCA, PLS i PLSDA; Part II - Sobre les extensions basades en kernels de PCA, PLS i PLSDA, on presentem el potencial de les tècniques de kernel, eventualment acoblades a variants específiques de la recentment redescoberta projecció de pseudo-mostres, formulada per l'estadista anglés John C. Gower, i comparem el seu rendiment respecte a metodologies més clàssiques en quatre aplicacions a escenaris diferents: segmentació d'imatges Roig-Verd-Blau (RGB), discriminació i monitorització de processos per lots i anàlisi de dissenys d'experiments de mescles; Part III - Sobre la selecció del nombre de factors en el PCA per proves de permutació, on aportem una guia extensa sobre com aconseguir la selecció de components de PCA a través de proves de permutació i una il·lustració completa d'un procediment algorítmic original implementat per a la finalitat esmentada; Part IV - Sobre la modelització de fonts de variabilitat comuna i distintiva en l'anàlisi de dades multi-conjunt, on discutim diversos aspectes pràctics de l'anàlisis de components comuns i distintius de dos blocs de dades (realitzat per mètodes com l'Anàlisi Simultània de Components - SCA - Anàlisi Simultània de Components Distintius i Comuns - DISCO-SCA - Descomposició Adaptada Generalitzada en Valors Singulars - Adapted GSVD - ECO-POWER, Anàlisi de Correlacions Canòniques - CCA - i Projeccions Ortogonals de 2 blocs a Estructures Latents - O2PLS). Presentem al mateix temps una nova estratègia computacional per a determinar el nombre de factors comuns subjacents a dues matrius de dades que comparteixen la mateixa dimensió de fila o columna, i dos plantejaments nous per a la transferència de calibratge entre espectròmetres d'infraroig proper; Part V - Sobre el processament i la modelització en temps real de fluxos de dades d'alta dimensió, on dissenyem l'eina de Processament en Temps Real (OTFP), un nou sistema de tractament racional de mesures multi-canal registrades en temps real; Part VI - Epíleg, on presentem les conclusions finals, delimitem les perspectives futures, i incloem annexos.Vitale, R. (2017). Novel chemometric proposals for advanced multivariate data analysis, processing and interpretation [Tesis doctoral no publicada]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/90442TESI

    Tensor Networks for Dimensionality Reduction and Large-Scale Optimizations. Part 2 Applications and Future Perspectives

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    Part 2 of this monograph builds on the introduction to tensor networks and their operations presented in Part 1. It focuses on tensor network models for super-compressed higher-order representation of data/parameters and related cost functions, while providing an outline of their applications in machine learning and data analytics. A particular emphasis is on the tensor train (TT) and Hierarchical Tucker (HT) decompositions, and their physically meaningful interpretations which reflect the scalability of the tensor network approach. Through a graphical approach, we also elucidate how, by virtue of the underlying low-rank tensor approximations and sophisticated contractions of core tensors, tensor networks have the ability to perform distributed computations on otherwise prohibitively large volumes of data/parameters, thereby alleviating or even eliminating the curse of dimensionality. The usefulness of this concept is illustrated over a number of applied areas, including generalized regression and classification (support tensor machines, canonical correlation analysis, higher order partial least squares), generalized eigenvalue decomposition, Riemannian optimization, and in the optimization of deep neural networks. Part 1 and Part 2 of this work can be used either as stand-alone separate texts, or indeed as a conjoint comprehensive review of the exciting field of low-rank tensor networks and tensor decompositions.Comment: 232 page

    Tensor Networks for Dimensionality Reduction and Large-Scale Optimizations. Part 2 Applications and Future Perspectives

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    Part 2 of this monograph builds on the introduction to tensor networks and their operations presented in Part 1. It focuses on tensor network models for super-compressed higher-order representation of data/parameters and related cost functions, while providing an outline of their applications in machine learning and data analytics. A particular emphasis is on the tensor train (TT) and Hierarchical Tucker (HT) decompositions, and their physically meaningful interpretations which reflect the scalability of the tensor network approach. Through a graphical approach, we also elucidate how, by virtue of the underlying low-rank tensor approximations and sophisticated contractions of core tensors, tensor networks have the ability to perform distributed computations on otherwise prohibitively large volumes of data/parameters, thereby alleviating or even eliminating the curse of dimensionality. The usefulness of this concept is illustrated over a number of applied areas, including generalized regression and classification (support tensor machines, canonical correlation analysis, higher order partial least squares), generalized eigenvalue decomposition, Riemannian optimization, and in the optimization of deep neural networks. Part 1 and Part 2 of this work can be used either as stand-alone separate texts, or indeed as a conjoint comprehensive review of the exciting field of low-rank tensor networks and tensor decompositions.Comment: 232 page

    Anomaly detection in moving-camera videos with sparse and low-rank matrix decompositions

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    This work presents two methods based on sparse decompositions that can detect anomalies in video sequences obtained from moving cameras. The first method starts by computing the union of subspaces (UoS) that best represents all the frames from a reference (anomaly-free) video as a low-rank projection plus a sparse residue. Then it performs a low-rank representation of the target (possibly anomalous) video by taking advantage of both the UoS and the sparse residue computed from the reference video. The anomalies are extracted after post-processing this video with these residual data. Such algorithm provides good detection results while at the same time obviating the need for previous video synchronization. However, this technique looses its detection efficiency when target and reference videos presents more severe misalignments. This may happen due to small uncontrolled camera moviment and shaking during the acquisition phase, which is often common in realworld situations. To extend its applicability, a second contribution is proposed in order to cope with these possible pose misalignments. This is done by modeling the target-reference pose discrepancy as geometric transformations acting on the domain of frames of the target video. A complete matrix decomposition algorithm is presented in order to perform a sparse representation of the target video as a sparse combination of the reference video plus a sparse residue, while taking into account the transformation acting on it. Our method is then verified and compared against state-of-the-art techniques using a challenging video dataset, that comprises recordings presenting the described misalignments. Under the evaluation metrics used, the second proposed method exhibits an improvement of at least 16% over the first proposed one, and 22% over the next best rated method.Apresentamos dois métodos baseados em decomposições esparsas que podem detectar anomalias em sequências de vídeo obtidas por câmeras em movimento. O primeiro método estima a união de subespaços (UdS) que melhor representa todos os quadros de um vídeo de referência (livre de anomalias) como uma projeção de baixo-posto mais um resíduo esparso. Em seguida, é realizada uma representação de baixo-posto do vídeo alvo (possivelmente anômalo) aproveitando a UdS e o resíduo esparso calculado a partir do vídeo de referência. As anomalias são extraídas após o pós-processamento destas informações residuais. Esse algoritmo fornece bons resultados de detecção, além de eliminar a necessidade de uma sincronização prévia dos vídeos. No entanto, essa técnica perde eficiência quando os vídeos de referência e alvo apresentam desalinhamentos mais graves entre si. Isso pode ocorrer devido a pequenos movimentos descontrolados da câmera e tremores durante a fase de aquisição. Para estender sua aplicabilidade, uma segunda contribuição é proposta a fim de lidar com esse possível desalinhamento. Isso é feito modelando a discrepância de pose de câmera entre os vídeos de referência e alvo com transformações geométricas agindo no domínio dos quadros do vídeo alvo. Um algoritmo completo de decomposição de matrizes é apresentado para realizar uma representação esparsa do vídeo alvo como uma combinação esparsa do vídeo de referência, levando em consideração as transformações que atuam sobre seus quadros. Nosso método é então verificado e comparado com técnicas de última geração com auxílio de vídeos de uma base desafiadora, apresentando os desalinhamentos em questão. Sob as métricas de avaliação usadas, o segundo método proposto exibe uma melhoria de pelo menos 16% em relação ao primeiro, e 22% sobre o método melhor avaliado logo em seguida

    Stochastic Distributed Optimization under Average Second-order Similarity: Algorithms and Analysis

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    We study finite-sum distributed optimization problems involving a master node and n1n-1 local nodes under the popular δ\delta-similarity and μ\mu-strong convexity conditions. We propose two new algorithms, SVRS and AccSVRS, motivated by previous works. The non-accelerated SVRS method combines the techniques of gradient sliding and variance reduction and achieves a better communication complexity of O~(n+nδ/μ)\tilde{\mathcal{O}}(n {+} \sqrt{n}\delta/\mu) compared to existing non-accelerated algorithms. Applying the framework proposed in Katyusha X, we also develop a directly accelerated version named AccSVRS with the O~(n+n3/4δ/μ)\tilde{\mathcal{O}}(n {+} n^{3/4}\sqrt{\delta/\mu}) communication complexity. In contrast to existing results, our complexity bounds are entirely smoothness-free and exhibit superiority in ill-conditioned cases. Furthermore, we establish a nearly matched lower bound to verify the tightness of our AccSVRS method.Comment: Camera-ready version for NeurIPS 202

    Supplementing Frequency Domain Interpolation Methods for Character Animation

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    The animation of human characters entails difficulties exceeding those met simulating objects, machines or plants. A person's gait is a product of nature affected by mood and physical condition. Small deviations from natural movement are perceived with ease by an unforgiving audience. Motion capture technology is frequently employed to record human movement. Subsequent playback on a skeleton underlying the character being animated conveys many of the subtleties of the original motion. Played-back recordings are of limited value, however, when integration in a virtual environment requires movements beyond those in the motion library, creating a need for the synthesis of new motion from pre-recorded sequences. An existing approach involves interpolation between motions in the frequency domain, with a blending space defined by a triangle network whose vertices represent input motions. It is this branch of character animation which is supplemented by the methods presented in this thesis, with work undertaken in three distinct areas. The first is a streamlined approach to previous work. It provides benefits including an efficiency gain in certain contexts, and a very different perspective on triangle network construction in which they become adjustable and intuitive user-interface devices with an increased flexibility allowing a greater range of motions to be blended than was possible with previous networks. Interpolation-based synthesis can never exhibit the same motion variety as can animation methods based on the playback of rearranged frame sequences. Limitations such as this were addressed by the second phase of work, with the creation of hybrid networks. These novel structures use properties of frequency domain triangle blending networks to seamlessly integrate playback-based animation within them. The third area focussed on was distortion found in both frequency- and time-domain blending. A new technique, single-source harmonic switching, was devised which greatly reduces it, and adds to the benefits of blending in the frequency domain

    Nonlinear Systems

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    The editors of this book have incorporated contributions from a diverse group of leading researchers in the field of nonlinear systems. To enrich the scope of the content, this book contains a valuable selection of works on fractional differential equations.The book aims to provide an overview of the current knowledge on nonlinear systems and some aspects of fractional calculus. The main subject areas are divided into two theoretical and applied sections. Nonlinear systems are useful for researchers in mathematics, applied mathematics, and physics, as well as graduate students who are studying these systems with reference to their theory and application. This book is also an ideal complement to the specific literature on engineering, biology, health science, and other applied science areas. The opportunity given by IntechOpen to offer this book under the open access system contributes to disseminating the field of nonlinear systems to a wide range of researchers
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