Stereoselective virtual screening of the ZINC database using atom pair 3D-fingerprints

Background Tools to explore large compound databases in search for analogs of query molecules provide a strategically important support in drug discovery to help identify available analogs of any given reference or hit compound by ligand based virtual screening (LBVS). We recently showed that large databases can be formatted for very fast searching with various 2D-fingerprints using the city-block distance as similarity measure, in particular a 2D-atom pair fingerprint (APfp) and the related category extended atom pair fingerprint (Xfp) which efficiently encode molecular shape and pharmacophores, but do not perceive stereochemistry. Here we investigated related 3D-atom pair fingerprints to enable rapid stereoselective searches in the ZINC database (23.2 million 3D structures). Results Molecular fingerprints counting atom pairs at increasing through-space distance intervals were designed using either all atoms (16-bit 3DAPfp) or different atom categories (80-bit 3DXfp). These 3D-fingerprints retrieved molecular shape and pharmacophore analogs (defined by OpenEye ROCS scoring functions) of 110,000 compounds from the Cambridge Structural Database with equal or better accuracy than the 2D-fingerprints APfp and Xfp, and showed comparable performance in recovering actives from decoys in the DUD database. LBVS by 3DXfp or 3DAPfp similarity was stereoselective and gave very different analogs when starting from different diastereomers of the same chiral drug. Results were also different from LBVS with the parent 2D-fingerprints Xfp or APfp. 3D- and 2D-fingerprints also gave very different results in LBVS of folded molecules where through-space distances between atom pairs are much shorter than topological distances. Conclusions 3DAPfp and 3DXfp are suitable for stereoselective searches for shape and pharmacophore analogs of query molecules in large databases. Web-browsers for searching ZINC by 3DAPfp and 3DXfp similarity are accessible at www.gdb.unibe.ch webcite and should provide useful assistance to drug discovery projects.

Automated 3D Lumbar Intervertebral Disc Segmentation from MRI Data Sets

This paper proposed an automated three-dimensional (3D) lumbar intervertebral disc (IVD) segmentation strategy from Magnetic Resonance Imaging (MRI) data. Starting from two user supplied landmarks, the geometrical parameters of all lumbar vertebral bodies and intervertebral discs are automatically extracted from a mid-sagittal slice using a graphical model based template matching approach. Based on the estimated two-dimensional (2D) geometrical parameters, a 3D variable-radius soft tube model of the lumbar spine column is built by model fitting to the 3D data volume. Taking the geometrical information from the 3D lumbar spine column as constraints and segmentation initialization, the disc segmentation is achieved by a multi-kernel diffeomorphic registration between a 3D template of the disc and the observed MRI data. Experiments on 15 patient data sets showed the robustness and the accuracy of the proposed algorithm.

Cup Implant Planning Based on 2-D/3-D Radiographic Pelvis Reconstruction-First Clinical Results.

GOAL: In the following, we will present a newly developed X-ray calibration phantom and its integration for 2-D/3-D pelvis reconstruction and subsequent automatic cup planning. Two different planning strategies were applied and evaluated with clinical data. METHODS: Two different cup planning methods were investigated: The first planning strategy is based on a combined pelvis and cup statistical atlas. Thereby, the pelvis part of the combined atlas is matched to the reconstructed pelvis model, resulting in an optimized cup planning. The second planning strategy analyzes the morphology of the reconstructed pelvis model to determine the best fitting cup implant. RESULTS: The first planning strategy was compared to 3-D CT-based planning. Digitally reconstructed radiographs of THA patients with differently severe pathologies were used to evaluate the accuracy of predicting the cup size and position. Within a discrepancy of one cup size, the size was correctly identified in 100% of the cases for Crowe type I datasets and in 77.8% of the cases for Crowe type II, III, and IV datasets. The second planning strategy was analyzed with respect to the eventually implanted cup size. In seven patients, the estimated cup diameter was correct within one cup size, while the estimation for the remaining five patients differed by two cup sizes. CONCLUSION: While both planning strategies showed the same prediction rate with a discrepancy of one cup size (87.5%), the prediction of the exact cup size was increased for the statistical atlas-based strategy (56%) in contrast to the anatomically driven approach (37.5%). SIGNIFICANCE: The proposed approach demonstrated the clinical validity of using 2-D/3-D reconstruction technique for cup planning.

IDT-3D: Identification and tracking in controlled environments using a 3D unified user interface

Identification and tracking of objects in specific environments such as harbors or security areas is a matter of great importance nowadays. With this purpose, numerous systems based on different technologies have been developed, resulting in a great amount of gathered data displayed through a variety of interfaces. Such amount of information has to be evaluated by human operators in order to take the correct decisions, sometimes under highly critical situations demanding both speed and accuracy. In order to face this problem we describe IDT-3D, a platform for identification and tracking of vessels in a harbour environment able to represent fused information in real time using a Virtual Reality application. The effectiveness of using IDT-3D as an integrated surveillance system is currently under evaluation. Preliminary results point to a significant decrease in the times of reaction and decision making of operators facing up a critical situation. Although the current application focus of IDT-3D is quite specific, the results of this research could be extended to the identification and tracking of targets in other controlled environments of interest as coastlines, borders or even urban areas.

Computerized Three-Dimmensional Craniofacial Reconstruction from Skulls Based on Landmarks.

Human identification from a skull is a critical process in legal and forensic medicine, specially when no other means are available. Traditional clay-based methods attempt to generate the human face, in order to identify the corresponding person. However, these reconstructions lack of objectivity and consistence, since they depend on the practitioner. Current computerized techniques are based on facial models, which introduce undesired facial features when the final reconstruction is built. This paper presents an objective 3D craniofacial reconstruction technique, implemented in a graphic application, without using any facial template. The only information required by the software tool is the 3D image of the target skull and three parameters: age, gender and Body Mass Index (BMI) of the individual. Complexity is minimized, since the application database only consists of the anthropological information provided by soft tissue depth values in a set of points of the skull.

Efficient methodologies for system matrix modelling in iterative image reconstruction for rotating high-resolution PET

A fully 3D iterative image reconstruction algorithm has been developed for high-resolution PET cameras composed of pixelated scintillator crystal arrays and rotating planar detectors, based on the ordered subsets approach. The associated system matrix is precalculated with Monte Carlo methods that incorporate physical effects not included in analytical models, such as positron range effects and interaction of the incident gammas with the scintillator material. Custom Monte Carlo methodologies have been developed and optimized for modelling of system matrices for fast iterative image reconstruction adapted to specific scanner geometries, without redundant calculations. According to the methodology proposed here, only one-eighth of the voxels within two central transaxial slices need to be modelled in detail. The rest of the system matrix elements can be obtained with the aid of axial symmetries and redundancies, as well as in-plane symmetries within transaxial slices. Sparse matrix techniques for the non-zero system matrix elements are employed, allowing for fast execution of the image reconstruction process. This 3D image reconstruction scheme has been compared in terms of image quality to a 2D fast implementation of the OSEM algorithm combined with Fourier rebinning approaches. This work confirms the superiority of fully 3D OSEM in terms of spatial resolution, contrast recovery and noise reduction as compared to conventional 2D approaches based on rebinning schemes. At the same time it demonstrates that fully 3D methodologies can be efficiently applied to the image reconstruction problem for high-resolution rotational PET cameras by applying accurate pre-calculated system models and taking advantage of the system's symmetries.

Radio propagation modeling and measurements for ZigBee based indoor wireless sensor networks

The deployment of nodes in Wireless Sensor Networks (WSNs) arises as one of the biggest challenges of this field, which involves in distributing a large number of embedded systems to fulfill a specific application. The connectivity of WSNs is difficult to estimate due to the irregularity of the physical environment and affects the WSN designers? decision on deploying sensor nodes. Therefore, in this paper, a new method is proposed to enhance the efficiency and accuracy on ZigBee propagation simulation in indoor environments. The method consists of two steps: automatic 3D indoor reconstruction and 3D ray-tracing based radio simulation. The automatic 3D indoor reconstruction employs unattended image classification algorithm and image vectorization algorithm to build the environment database accurately, which also significantly reduces time and efforts spent on non-radio propagation issue. The 3D ray tracing is developed by using kd-tree space division algorithm and a modified polar sweep algorithm, which accelerates the searching of rays over the entire space. Signal propagation model is proposed for the ray tracing engine by considering both the materials of obstacles and the impact of positions along the ray path of radio. Three different WSN deployments are realized in the indoor environment of an office and the results are verified to be accurate. Experimental results also indicate that the proposed method is efficient in pre-simulation strategy and 3D ray searching scheme and is suitable for different indoor environments.

A novel methodology for planning reliable wireless sensor networks

Wireless sensor networks (WSNs) have shown their potentials in various applications, which bring a lot of benefits to users from both research and industrial areas. For many setups, it is envisioned thatWSNs will consist of tens to hundreds of nodes that operate on small batteries. However due to the diversity of the deployed environments and resource constraints on radio communication, sensing ability and energy supply, it is a very challenging issue to plan optimized WSN topology and predict its performance before real deployment. During the network planning phase, the connectivity, coverage, cost, network longevity and service quality should all be considered. Therefore it requires designers coping with comprehensive and interdisciplinary knowledge, including networking, radio engineering, embedded system and so on, in order to efficiently construct a reliable WSN for any specific types of environment. Nowadays there is still a lack of the analysis and experiences to guide WSN designers to efficiently construct WSN topology successfully without many trials. Therefore, simulation is a feasible approach to the quantitative analysis of the performance of wireless sensor networks. However the existing planning algorithms and tools, to some extent, have serious limitations to practically design reliable WSN topology: Only a few of them tackle the 3D deployment issue, and an overwhelming number of works are proposed to place devices in 2D scheme. Without considering the full dimension, the impacts of environment to the performance of WSN are not completely studied, thus the values of evaluated metrics such as connectivity and sensing coverage are not sufficiently accurate to make proper decision. Even fewer planning methods model the sensing coverage and radio propagation by considering the realistic scenario where obstacles exist. Radio signals propagate with multi-path phenomenon in the real world, in which direct paths, reflected paths and diffracted paths contribute to the received signal strength. Besides, obstacles between the path of sensor and objects might block the sensing signals, thus create coverage hole in the application. None of the existing planning algorithms model the network longevity and packet delivery capability properly and practically. They often employ unilateral and unrealistic formulations. The optimization targets are often one-sided in the current works. Without comprehensive evaluation on the important metrics, the performance of planned WSNs can not be reliable and entirely optimized. Modeling of environment is usually time consuming and the cost is very high, while none of the current works figure out any method to model the 3D deployment environment efficiently and accurately. Therefore many researchers are trapped by this issue, and their algorithms can only be evaluated in the same scenario, without the possibility to test the robustness and feasibility for implementations in different environments. In this thesis, we propose a novel planning methodology and an intelligent WSN planning tool to assist WSN designers efficiently planning reliable WSNs. First of all, a new method is proposed to efficiently and automatically model the 3D indoor and outdoor environments. To the best of our knowledge, this is the first time that the advantages of image understanding algorithm are applied to automatically reconstruct 3D outdoor and indoor scenarios for signal propagation and network planning purpose. The experimental results indicate that the proposed methodology is able to accurately recognize different objects from the satellite images of the outdoor target regions and from the scanned floor plan of indoor area. Its mechanism offers users a flexibility to reconstruct different types of environment without any human interaction. Thereby it significantly reduces human efforts, cost and time spent on reconstructing a 3D geographic database and allows WSN designers concentrating on the planning issues. Secondly, an efficient ray-tracing engine is developed to accurately and practically model the radio propagation and sensing signal on the constructed 3D map. The engine contributes on efficiency and accuracy to the estimated results. By using image processing concepts, including the kd-tree space division algorithm and modified polar sweep algorithm, the rays are traced efficiently without detecting all the primitives in the scene. The radio propagation model iv is proposed, which emphasizes not only the materials of obstacles but also their locations along the signal path. The sensing signal of sensor nodes, which is sensitive to the obstacles, is benefit from the ray-tracing algorithm via obstacle detection. The performance of this modelling method is robust and accurate compared with conventional methods, and experimental results imply that this methodology is suitable for both outdoor urban scenes and indoor environments. Moreover, it can be applied to either GSM communication or ZigBee protocol by varying frequency parameter of the radio propagation model. Thirdly, WSN planning method is proposed to tackle the above mentioned challenges and efficiently deploy reliable WSNs. More metrics (connectivity, coverage, cost, lifetime, packet latency and packet drop rate) are modeled more practically compared with other works. Especially 3D ray tracing method is used to model the radio link and sensing signal which are sensitive to the obstruction of obstacles; network routing is constructed by using AODV protocol; the network longevity, packet delay and packet drop rate are obtained via simulating practical events in WSNet simulator, which to the best of our knowledge, is the first time that network simulator is involved in a planning algorithm. Moreover, a multi-objective optimization algorithm is developed to cater for the characteristics of WSNs. The capability of providing multiple optimized solutions simultaneously allows users making their own decisions accordingly, and the results are more comprehensively optimized compared with other state-of-the-art algorithms. iMOST is developed by integrating the introduced algorithms, to assist WSN designers efficiently planning reliable WSNs for different configurations. The abbreviated name iMOST stands for an Intelligent Multi-objective Optimization Sensor network planning Tool. iMOST contributes on: (1) Convenient operation with a user-friendly vision system; (2) Efficient and automatic 3D database reconstruction and fast 3D objects design for both indoor and outdoor environments; (3) It provides multiple multi-objective optimized 3D deployment solutions and allows users to configure the network properties, hence it can adapt to various WSN applications; (4) Deployment solutions in the 3D space and the corresponding evaluated performance are visually presented to users; and (5) The Node Placement Module of iMOST is available online as well as the source code of the other two rebuilt heuristics. Therefore WSN designers will be benefit from v this tool on efficiently constructing environment database, practically and efficiently planning reliable WSNs for both outdoor and indoor applications. With the open source codes, they are also able to compare their developed algorithms with ours to contribute to this academic field. Finally, solid real results are obtained for both indoor and outdoor WSN planning. Deployments have been realized for both indoor and outdoor environments based on the provided planning solutions. The measured results coincide well with the estimated results. The proposed planning algorithm is adaptable according to the WSN designer’s desirability and configuration, and it offers flexibility to plan small and large scale, indoor and outdoor 3D deployments. The thesis is organized in 7 chapters. In Chapter 1, WSN applications and motivations of this work are introduced, the state-of-the-art planning algorithms and tools are reviewed, challenges are stated out and the proposed methodology is briefly introduced. In Chapter 2, the proposed 3D environment reconstruction methodology is introduced and its performance is evaluated for both outdoor and indoor environment. The developed ray-tracing engine and proposed radio propagation modelling method are described in details in Chapter 3, their performances are evaluated in terms of computation efficiency and accuracy. Chapter 4 presents the modelling of important metrics of WSNs and the proposed multi-objective optimization planning algorithm, the performance is compared with the other state-of-the-art planning algorithms. The intelligent WSN planning tool iMOST is described in Chapter 5. RealWSN deployments are prosecuted based on the planned solutions for both indoor and outdoor scenarios, important data are measured and results are analysed in Chapter 6. Chapter 7 concludes the thesis and discusses about future works. vi Resumen en Castellano Las redes de sensores inalámbricas (en inglés Wireless Sensor Networks, WSNs) han demostrado su potencial en diversas aplicaciones que aportan una gran cantidad de beneficios para el campo de la investigación y de la industria. Para muchas configuraciones se prevé que las WSNs consistirán en decenas o cientos de nodos que funcionarán con baterías pequeñas. Sin embargo, debido a la diversidad de los ambientes para desplegar las redes y a las limitaciones de recursos en materia de comunicación de radio, capacidad de detección y suministro de energía, la planificación de la topología de la red y la predicción de su rendimiento es un tema muy difícil de tratar antes de la implementación real. Durante la fase de planificación del despliegue de la red se deben considerar aspectos como la conectividad, la cobertura, el coste, la longevidad de la red y la calidad del servicio. Por lo tanto, requiere de diseñadores con un amplio e interdisciplinario nivel de conocimiento que incluye la creación de redes, la ingeniería de radio y los sistemas embebidos entre otros, con el fin de construir de manera eficiente una WSN confiable para cualquier tipo de entorno. Hoy en día todavía hay una falta de análisis y experiencias que orienten a los diseñadores de WSN para construir las topologías WSN de manera eficiente sin realizar muchas pruebas. Por lo tanto, la simulación es un enfoque viable para el análisis cuantitativo del rendimiento de las redes de sensores inalámbricos. Sin embargo, los algoritmos y herramientas de planificación existentes tienen, en cierta medida, serias limitaciones para diseñar en la práctica una topología fiable de WSN: Sólo unos pocos abordan la cuestión del despliegue 3D mientras que existe una gran cantidad de trabajos que colocan los dispositivos en 2D. Si no se analiza la dimensión completa (3D), los efectos del entorno en el desempeño de WSN no se estudian por completo, por lo que los valores de los parámetros evaluados, como la conectividad y la cobertura de detección, no son lo suficientemente precisos para tomar la decisión correcta. Aún en menor medida los métodos de planificación modelan la cobertura de los sensores y la propagación de la señal de radio teniendo en cuenta un escenario realista donde existan obstáculos. Las señales de radio en el mundo real siguen una propagación multicamino, en la que los caminos directos, los caminos reflejados y los caminos difractados contribuyen a la intensidad de la señal recibida. Además, los obstáculos entre el recorrido del sensor y los objetos pueden bloquear las señales de detección y por lo tanto crear áreas sin cobertura en la aplicación. Ninguno de los algoritmos de planificación existentes modelan el tiempo de vida de la red y la capacidad de entrega de paquetes correctamente y prácticamente. A menudo se emplean formulaciones unilaterales y poco realistas. Los objetivos de optimización son a menudo tratados unilateralmente en los trabajos actuales. Sin una evaluación exhaustiva de los parámetros importantes, el rendimiento previsto de las redes inalámbricas de sensores no puede ser fiable y totalmente optimizado. Por lo general, el modelado del entorno conlleva mucho tiempo y tiene un coste muy alto, pero ninguno de los trabajos actuales propone algún método para modelar el entorno de despliegue 3D con eficiencia y precisión. Por lo tanto, muchos investigadores están limitados por este problema y sus algoritmos sólo se pueden evaluar en el mismo escenario, sin la posibilidad de probar la solidez y viabilidad para las implementaciones en diferentes entornos. En esta tesis, se propone una nueva metodología de planificación así como una herramienta inteligente de planificación de redes de sensores inalámbricas para ayudar a los diseñadores a planificar WSNs fiables de una manera eficiente. En primer lugar, se propone un nuevo método para modelar demanera eficiente y automática los ambientes interiores y exteriores en 3D. Según nuestros conocimientos hasta la fecha, esta es la primera vez que las ventajas del algoritmo de _image understanding_se aplican para reconstruir automáticamente los escenarios exteriores e interiores en 3D para analizar la propagación de la señal y viii la planificación de la red. Los resultados experimentales indican que la metodología propuesta es capaz de reconocer con precisión los diferentes objetos presentes en las imágenes satelitales de las regiones objetivo en el exterior y de la planta escaneada en el interior. Su mecanismo ofrece a los usuarios la flexibilidad para reconstruir los diferentes tipos de entornos sin ninguna interacción humana. De este modo se reduce considerablemente el esfuerzo humano, el coste y el tiempo invertido en la reconstrucción de una base de datos geográfica con información 3D, permitiendo así que los diseñadores se concentren en los temas de planificación. En segundo lugar, se ha desarrollado un motor de trazado de rayos (en inglés ray tracing) eficiente para modelar con precisión la propagación de la señal de radio y la señal de los sensores en el mapa 3D construido. El motor contribuye a la eficiencia y la precisión de los resultados estimados. Mediante el uso de los conceptos de procesamiento de imágenes, incluyendo el algoritmo del árbol kd para la división del espacio y el algoritmo _polar sweep_modificado, los rayos se trazan de manera eficiente sin la detección de todas las primitivas en la escena. El modelo de propagación de radio que se propone no sólo considera los materiales de los obstáculos, sino también su ubicación a lo largo de la ruta de señal. La señal de los sensores de los nodos, que es sensible a los obstáculos, se ve beneficiada por la detección de objetos llevada a cabo por el algoritmo de trazado de rayos. El rendimiento de este método de modelado es robusto y preciso en comparación con los métodos convencionales, y los resultados experimentales indican que esta metodología es adecuada tanto para escenas urbanas al aire libre como para ambientes interiores. Por otra parte, se puede aplicar a cualquier comunicación GSM o protocolo ZigBee mediante la variación de la frecuencia del modelo de propagación de radio. En tercer lugar, se propone un método de planificación de WSNs para hacer frente a los desafíos mencionados anteriormente y desplegar redes de sensores fiables de manera eficiente. Se modelan más parámetros (conectividad, cobertura, coste, tiempo de vida, la latencia de paquetes y tasa de caída de paquetes) en comparación con otros trabajos. Especialmente el método de trazado de rayos 3D se utiliza para modelar el enlace de radio y señal de los sensores que son sensibles a la obstrucción de obstáculos; el enrutamiento de la red se construye utilizando el protocolo AODV; la longevidad de la red, retardo de paquetes ix y tasa de abandono de paquetes se obtienen a través de la simulación de eventos prácticos en el simulador WSNet, y según nuestros conocimientos hasta la fecha, es la primera vez que simulador de red está implicado en un algoritmo de planificación. Por otra parte, se ha desarrollado un algoritmo de optimización multi-objetivo para satisfacer las características de las redes inalámbricas de sensores. La capacidad de proporcionar múltiples soluciones optimizadas de forma simultánea permite a los usuarios tomar sus propias decisiones en consecuencia, obteniendo mejores resultados en comparación con otros algoritmos del estado del arte. iMOST se desarrolla mediante la integración de los algoritmos presentados, para ayudar de forma eficiente a los diseñadores en la planificación de WSNs fiables para diferentes configuraciones. El nombre abreviado iMOST (Intelligent Multi-objective Optimization Sensor network planning Tool) representa una herramienta inteligente de planificación de redes de sensores con optimización multi-objetivo. iMOST contribuye en: (1) Operación conveniente con una interfaz de fácil uso, (2) Reconstrucción eficiente y automática de una base de datos con información 3D y diseño rápido de objetos 3D para ambientes interiores y exteriores, (3) Proporciona varias soluciones de despliegue optimizadas para los multi-objetivo en 3D y permite a los usuarios configurar las propiedades de red, por lo que puede adaptarse a diversas aplicaciones de WSN, (4) las soluciones de implementación en el espacio 3D y el correspondiente rendimiento evaluado se presentan visualmente a los usuarios, y (5) El _Node Placement Module_de iMOST está disponible en línea, así como el código fuente de las otras dos heurísticas de planificación. Por lo tanto los diseñadores WSN se beneficiarán de esta herramienta para la construcción eficiente de la base de datos con información del entorno, la planificación práctica y eficiente de WSNs fiables tanto para aplicaciones interiores y exteriores. Con los códigos fuente abiertos, son capaces de comparar sus algoritmos desarrollados con los nuestros para contribuir a este campo académico. Por último, se obtienen resultados reales sólidos tanto para la planificación de WSN en interiores y exteriores. Los despliegues se han realizado tanto para ambientes de interior y como para ambientes de exterior utilizando las soluciones de planificación propuestas. Los resultados medidos coinciden en gran medida con los resultados estimados. El algoritmo de planificación x propuesto se adapta convenientemente al deiseño de redes de sensores inalámbricas, y ofrece flexibilidad para planificar los despliegues 3D a pequeña y gran escala tanto en interiores como en exteriores. La tesis se estructura en 7 capítulos. En el Capítulo 1, se presentan las aplicaciones de WSN y motivaciones de este trabajo, se revisan los algoritmos y herramientas de planificación del estado del arte, se presentan los retos y se describe brevemente la metodología propuesta. En el Capítulo 2, se presenta la metodología de reconstrucción de entornos 3D propuesta y su rendimiento es evaluado tanto para espacios exteriores como para espacios interiores. El motor de trazado de rayos desarrollado y el método de modelado de propagación de radio propuesto se describen en detalle en el Capítulo 3, evaluándose en términos de eficiencia computacional y precisión. En el Capítulo 4 se presenta el modelado de los parámetros importantes de las WSNs y el algoritmo de planificación de optimización multi-objetivo propuesto, el rendimiento se compara con los otros algoritmos de planificación descritos en el estado del arte. La herramienta inteligente de planificación de redes de sensores inalámbricas, iMOST, se describe en el Capítulo 5. En el Capítulo 6 se llevan a cabo despliegues reales de acuerdo a las soluciones previstas para los escenarios interiores y exteriores, se miden los datos importantes y se analizan los resultados. En el Capítulo 7 se concluye la tesis y se discute acerca de los trabajos futuros.

Dysfunctional 3D model based on structural and neuropsychological information

Acquired brain injury (ABI) 1-2 refers to any brain damage occurring after birth. It usually causes certain damage to portions of the brain. ABI may result in a significant impairment of an individuals physical, cognitive and/or psychosocial functioning. The main causes are traumatic brain injury (TBI), cerebrovascular accident (CVA) and brain tumors. The main consequence of ABI is a dramatic change in the individuals daily life. This change involves a disruption of the family, a loss of future income capacity and an increase of lifetime cost. One of the main challenges in neurorehabilitation is to obtain a dysfunctional profile of each patient in order to personalize the treatment. This paper proposes a system to generate a patient s dysfunctional profile by integrating theoretical, structural and neuropsychological information on a 3D brain imaging-based model. The main goal of this dysfunctional profile is to help therapists design the most suitable treatment for each patient. At the same time, the results obtained are a source of clinical evidence to improve the accuracy and quality of our rehabilitation system. Figure 1 shows the diagram of the system. This system is composed of four main modules: image-based extraction of parameters, theoretical modeling, classification and co-registration and visualization module.

FocusDET, a new toolbox for SISCOM analysis. Evaluation of the registration accuracy using monte carlo simulation

Subtraction of Ictal SPECT Co-registered to MRI (SISCOM) is an imaging technique used to localize the epileptogenic focus in patients with intractable partial epilepsy. The aim of this study was to determine the accuracy of registration algorithms involved in SISCOM analysis using FocusDET, a new user-friendly application. To this end, Monte Carlo simulation was employed to generate realistic SPECT studies. Simulated sinograms were reconstructed by using the Filtered BackProjection (FBP) algorithm and an Ordered Subsets Expectation Maximization (OSEM) reconstruction method that included compensation for all degradations. Registration errors in SPECT-SPECT and SPECT-MRI registration were evaluated by comparing the theoretical and actual transforms. Patient studies with well-localized epilepsy were also included in the registration assessment. Global registration errors including SPECT-SPECT and SPECT-MRI registration errors were less than 1.2 mm on average, exceeding the voxel size (3.32 mm) of SPECT studies in no case. Although images reconstructed using OSEM led to lower registration errors than images reconstructed with FBP, differences after using OSEM or FBP in reconstruction were less than 0.2 mm on average. This indicates that correction for degradations does not play a major role in the SISCOM process, thereby facilitating the application of the methodology in centers where OSEM is not implemented with correction of all degradations. These findings together with those obtained by clinicians from patients via MRI, interictal and ictal SPECT and video-EEG, show that FocusDET is a robust application for performing SISCOM analysis in clinical practice.

Accurate depth-color scene modeling for 3D contents generation with low cost depth cameras

In this paper, we present a depth-color scene modeling strategy for indoors 3D contents generation. It combines depth and visual information provided by a low-cost active depth camera to improve the accuracy of the acquired depth maps considering the different dynamic nature of the scene elements. Accurate depth and color models of the scene background are iteratively built, and used to detect moving elements in the scene. The acquired depth data is continuously processed with an innovative joint-bilateral filter that efficiently combines depth and visual information thanks to the analysis of an edge-uncertainty map and the detected foreground regions. The main advantages of the proposed approach are: removing depth maps spatial noise and temporal random fluctuations; refining depth data at object boundaries, generating iteratively a robust depth and color background model and an accurate moving object silhouette.

Bayesian scene analysis for multi-camera 3D tracking and camera positioning

Los sistemas de seguimiento mono-cámara han demostrado su notable capacidad para el análisis de trajectorias de objectos móviles y para monitorización de escenas de interés; sin embargo, tanto su robustez como sus posibilidades en cuanto a comprensión semántica de la escena están fuertemente limitadas por su naturaleza local y monocular, lo que los hace insuficientes para aplicaciones realistas de videovigilancia. El objetivo de esta tesis es la extensión de las posibilidades de los sistemas de seguimiento de objetos móviles para lograr un mayor grado de robustez y comprensión de la escena. La extensión propuesta se divide en dos direcciones separadas. La primera puede considerarse local, ya que está orientada a la mejora y enriquecimiento de las posiciones estimadas para los objetos móviles observados directamente por las cámaras del sistema; dicha extensión se logra mediante el desarrollo de un sistema multi-cámara de seguimiento 3D, capaz de proporcionar consistentemente las posiciones 3D de múltiples objetos a partir de las observaciones capturadas por un conjunto de sensores calibrados y con campos de visión solapados. La segunda extensión puede considerarse global, dado que su objetivo consiste en proporcionar un contexto global para relacionar las observaciones locales realizadas por una cámara con una escena de mucho mayor tamaño; para ello se propone un sistema automático de localización de cámaras basado en las trayectorias observadas de varios objetos móviles y en un mapa esquemático de la escena global monitorizada. Ambas líneas de investigación se tratan utilizando, como marco común, técnicas de estimación bayesiana: esta elección está justificada por la versatilidad y flexibilidad proporcionada por dicho marco estadístico, que permite la combinación natural de múltiples fuentes de información sobre los parámetros a estimar, así como un tratamiento riguroso de la incertidumbre asociada a las mismas mediante la inclusión de modelos de observación específicamente diseñados. Además, el marco seleccionado abre grandes posibilidades operacionales, puesto que permite la creación de diferentes métodos numéricos adaptados a las necesidades y características específicas de distintos problemas tratados. El sistema de seguimiento 3D con múltiples cámaras propuesto está específicamente diseñado para permitir descripciones esquemáticas de las medidas realizadas individualmente por cada una de las cámaras del sistema: esta elección de diseño, por tanto, no asume ningún algoritmo específico de detección o seguimiento 2D en ninguno de los sensores de la red, y hace que el sistema propuesto sea aplicable a redes reales de vigilancia con capacidades limitadas tanto en términos de procesamiento como de transmision. La combinación robusta de las observaciones capturadas individualmente por las cámaras, ruidosas, incompletas y probablemente contaminadas por falsas detecciones, se basa en un metodo de asociación bayesiana basado en geometría y color: los resultados de dicha asociación permiten el seguimiento 3D de los objetos de la escena mediante el uso de un filtro de partículas. El sistema de fusión de observaciones propuesto tiene, como principales características, una gran precisión en términos de localización 3D de objetos, y una destacable capacidad de recuperación tras eventuales errores debidos a un número insuficiente de datos de entrada. El sistema automático de localización de cámaras se basa en la observación de múltiples objetos móviles y un mapa esquemático de las áreas transitables del entorno monitorizado para inferir la posición absoluta de dicho sensor. Para este propósito, se propone un novedoso marco bayesiano que combina modelos dinámicos inducidos por el mapa en los objetos móviles presentes en la escena con las trayectorias observadas por la cámara, lo que representa un enfoque nunca utilizado en la literatura existente. El sistema de localización se divide en dos sub-tareas diferenciadas, debido a que cada una de estas tareas requiere del diseño de algoritmos específicos de muestreo para explotar en profundidad las características del marco desarrollado: por un lado, análisis de la ambigüedad del caso específicamente tratado y estimación aproximada de la localización de la cámara, y por otro, refinado de la localización de la cámara. El sistema completo, diseñado y probado para el caso específico de localización de cámaras en entornos de tráfico urbano, podría tener aplicación también en otros entornos y sensores de diferentes modalidades tras ciertas adaptaciones. ABSTRACT Mono-camera tracking systems have proved their capabilities for moving object trajectory analysis and scene monitoring, but their robustness and semantic possibilities are strongly limited by their local and monocular nature and are often insufficient for realistic surveillance applications. This thesis is aimed at extending the possibilities of moving object tracking systems to a higher level of scene understanding. The proposed extension comprises two separate directions. The first one is local, since is aimed at enriching the inferred positions of the moving objects within the area of the monitored scene directly covered by the cameras of the system; this task is achieved through the development of a multi-camera system for robust 3D tracking, able to provide 3D tracking information of multiple simultaneous moving objects from the observations reported by a set of calibrated cameras with semi-overlapping fields of view. The second extension is global, as is aimed at providing local observations performed within the field of view of one camera with a global context relating them to a much larger scene; to this end, an automatic camera positioning system relying only on observed object trajectories and a scene map is designed. The two lines of research in this thesis are addressed using Bayesian estimation as a general unifying framework. Its suitability for these two applications is justified by the flexibility and versatility of that stochastic framework, which allows the combination of multiple sources of information about the parameters to estimate in a natural and elegant way, addressing at the same time the uncertainty associated to those sources through the inclusion of models designed to this end. In addition, it opens multiple possibilities for the creation of different numerical methods for achieving satisfactory and efficient practical solutions to each addressed application. The proposed multi-camera 3D tracking method is specifically designed to work on schematic descriptions of the observations performed by each camera of the system: this choice allows the use of unspecific off-the-shelf 2D detection and/or tracking subsystems running independently at each sensor, and makes the proposal suitable for real surveillance networks with moderate computational and transmission capabilities. The robust combination of such noisy, incomplete and possibly unreliable schematic descriptors relies on a Bayesian association method, based on geometry and color, whose results allow the tracking of the targets in the scene with a particle filter. The main features exhibited by the proposal are, first, a remarkable accuracy in terms of target 3D positioning, and second, a great recovery ability after tracking losses due to insufficient input data. The proposed system for visual-based camera self-positioning uses the observations of moving objects and a schematic map of the passable areas of the environment to infer the absolute sensor position. To this end, a new Bayesian framework combining trajectory observations and map-induced dynamic models for moving objects is designed, which represents an approach to camera positioning never addressed before in the literature. This task is divided into two different sub-tasks, setting ambiguity analysis and approximate position estimation, on the one hand, and position refining, on the other, since they require the design of specific sampling algorithms to correctly exploit the discriminative features of the developed framework. This system, designed for camera positioning and demonstrated in urban traffic environments, can also be applied to different environments and sensors of other modalities after certain required adaptations.

Identification of pore spaces in 3D CT soil images using a PFCM partitional clustering

Recent advances in non-destructive imaging techniques, such as X-ray computed tomography (CT), make it possible to analyse pore space features from the direct visualisation from soil structures. A quantitative characterisation of the three-dimensional solid-pore architecture is important to understand soil mechanics, as they relate to the control of biological, chemical, and physical processes across scales. This analysis technique therefore offers an opportunity to better interpret soil strata, as new and relevant information can be obtained. In this work, we propose an approach to automatically identify the pore structure of a set of 200-2D images that represent slices of an original 3D CT image of a soil sample, which can be accomplished through non-linear enhancement of the pixel grey levels and an image segmentation based on a PFCM (Possibilistic Fuzzy C-Means) algorithm. Once the solids and pore spaces have been identified, the set of 200-2D images is then used to reconstruct an approximation of the soil sample by projecting only the pore spaces. This reconstruction shows the structure of the soil and its pores, which become more bounded, less bounded, or unbounded with changes in depth. If the soil sample image quality is sufficiently favourable in terms of contrast, noise and sharpness, the pore identification is less complicated, and the PFCM clustering algorithm can be used without additional processing; otherwise, images require pre-processing before using this algorithm. Promising results were obtained with four soil samples, the first of which was used to show the algorithm validity and the additional three were used to demonstrate the robustness of our proposal. The methodology we present here can better detect the solid soil and pore spaces on CT images, enabling the generation of better 2D?3D representations of pore structures from segmented 2D images.

Bayesian scene analysis for multi-camera 3D tracking and camera positioning

Los sistemas de seguimiento mono-cámara han demostrado su notable capacidad para el análisis de trajectorias de objectos móviles y para monitorización de escenas de interés; sin embargo, tanto su robustez como sus posibilidades en cuanto a comprensión semántica de la escena están fuertemente limitadas por su naturaleza local y monocular, lo que los hace insuficientes para aplicaciones realistas de videovigilancia. El objetivo de esta tesis es la extensión de las posibilidades de los sistemas de seguimiento de objetos móviles para lograr un mayor grado de robustez y comprensión de la escena. La extensión propuesta se divide en dos direcciones separadas. La primera puede considerarse local, ya que está orientada a la mejora y enriquecimiento de las posiciones estimadas para los objetos móviles observados directamente por las cámaras del sistema; dicha extensión se logra mediante el desarrollo de un sistema multi-cámara de seguimiento 3D, capaz de proporcionar consistentemente las posiciones 3D de múltiples objetos a partir de las observaciones capturadas por un conjunto de sensores calibrados y con campos de visión solapados. La segunda extensión puede considerarse global, dado que su objetivo consiste en proporcionar un contexto global para relacionar las observaciones locales realizadas por una cámara con una escena de mucho mayor tamaño; para ello se propone un sistema automático de localización de cámaras basado en las trayectorias observadas de varios objetos móviles y en un mapa esquemático de la escena global monitorizada. Ambas líneas de investigación se tratan utilizando, como marco común, técnicas de estimación bayesiana: esta elección está justificada por la versatilidad y flexibilidad proporcionada por dicho marco estadístico, que permite la combinación natural de múltiples fuentes de información sobre los parámetros a estimar, así como un tratamiento riguroso de la incertidumbre asociada a las mismas mediante la inclusión de modelos de observación específicamente diseñados. Además, el marco seleccionado abre grandes posibilidades operacionales, puesto que permite la creación de diferentes métodos numéricos adaptados a las necesidades y características específicas de distintos problemas tratados. El sistema de seguimiento 3D con múltiples cámaras propuesto está específicamente diseñado para permitir descripciones esquemáticas de las medidas realizadas individualmente por cada una de las cámaras del sistema: esta elección de diseño, por tanto, no asume ningún algoritmo específico de detección o seguimiento 2D en ninguno de los sensores de la red, y hace que el sistema propuesto sea aplicable a redes reales de vigilancia con capacidades limitadas tanto en términos de procesamiento como de transmision. La combinación robusta de las observaciones capturadas individualmente por las cámaras, ruidosas, incompletas y probablemente contaminadas por falsas detecciones, se basa en un metodo de asociación bayesiana basado en geometría y color: los resultados de dicha asociación permiten el seguimiento 3D de los objetos de la escena mediante el uso de un filtro de partículas. El sistema de fusión de observaciones propuesto tiene, como principales características, una gran precisión en términos de localización 3D de objetos, y una destacable capacidad de recuperación tras eventuales errores debidos a un número insuficiente de datos de entrada. El sistema automático de localización de cámaras se basa en la observación de múltiples objetos móviles y un mapa esquemático de las áreas transitables del entorno monitorizado para inferir la posición absoluta de dicho sensor. Para este propósito, se propone un novedoso marco bayesiano que combina modelos dinámicos inducidos por el mapa en los objetos móviles presentes en la escena con las trayectorias observadas por la cámara, lo que representa un enfoque nunca utilizado en la literatura existente. El sistema de localización se divide en dos sub-tareas diferenciadas, debido a que cada una de estas tareas requiere del diseño de algoritmos específicos de muestreo para explotar en profundidad las características del marco desarrollado: por un lado, análisis de la ambigüedad del caso específicamente tratado y estimación aproximada de la localización de la cámara, y por otro, refinado de la localización de la cámara. El sistema completo, diseñado y probado para el caso específico de localización de cámaras en entornos de tráfico urbano, podría tener aplicación también en otros entornos y sensores de diferentes modalidades tras ciertas adaptaciones. ABSTRACT Mono-camera tracking systems have proved their capabilities for moving object trajectory analysis and scene monitoring, but their robustness and semantic possibilities are strongly limited by their local and monocular nature and are often insufficient for realistic surveillance applications. This thesis is aimed at extending the possibilities of moving object tracking systems to a higher level of scene understanding. The proposed extension comprises two separate directions. The first one is local, since is aimed at enriching the inferred positions of the moving objects within the area of the monitored scene directly covered by the cameras of the system; this task is achieved through the development of a multi-camera system for robust 3D tracking, able to provide 3D tracking information of multiple simultaneous moving objects from the observations reported by a set of calibrated cameras with semi-overlapping fields of view. The second extension is global, as is aimed at providing local observations performed within the field of view of one camera with a global context relating them to a much larger scene; to this end, an automatic camera positioning system relying only on observed object trajectories and a scene map is designed. The two lines of research in this thesis are addressed using Bayesian estimation as a general unifying framework. Its suitability for these two applications is justified by the flexibility and versatility of that stochastic framework, which allows the combination of multiple sources of information about the parameters to estimate in a natural and elegant way, addressing at the same time the uncertainty associated to those sources through the inclusion of models designed to this end. In addition, it opens multiple possibilities for the creation of different numerical methods for achieving satisfactory and efficient practical solutions to each addressed application. The proposed multi-camera 3D tracking method is specifically designed to work on schematic descriptions of the observations performed by each camera of the system: this choice allows the use of unspecific off-the-shelf 2D detection and/or tracking subsystems running independently at each sensor, and makes the proposal suitable for real surveillance networks with moderate computational and transmission capabilities. The robust combination of such noisy, incomplete and possibly unreliable schematic descriptors relies on a Bayesian association method, based on geometry and color, whose results allow the tracking of the targets in the scene with a particle filter. The main features exhibited by the proposal are, first, a remarkable accuracy in terms of target 3D positioning, and second, a great recovery ability after tracking losses due to insufficient input data. The proposed system for visual-based camera self-positioning uses the observations of moving objects and a schematic map of the passable areas of the environment to infer the absolute sensor position. To this end, a new Bayesian framework combining trajectory observations and map-induced dynamic models for moving objects is designed, which represents an approach to camera positioning never addressed before in the literature. This task is divided into two different sub-tasks, setting ambiguity analysis and approximate position estimation, on the one hand, and position refining, on the other, since they require the design of specific sampling algorithms to correctly exploit the discriminative features of the developed framework. This system, designed for camera positioning and demonstrated in urban traffic environments, can also be applied to different environments and sensors of other modalities after certain required adaptations.

Joint 4-D variational stereo reconstruction and camera calibration refinement for oceanic sea state measurements

Validating modern oceanographic theories using models produced through stereo computer vision principles has recently emerged. Space-time (4-D) models of the ocean surface may be generated by stacking a series of 3-D reconstructions independently generated for each time instant or, in a more robust manner, by simultaneously processing several snapshots coherently in a true ?4-D reconstruction.? However, the accuracy of these computer-vision-generated models is subject to the estimations of camera parameters, which may be corrupted under the influence of natural factors such as wind and vibrations. Therefore, removing the unpredictable errors of the camera parameters is necessary for an accurate reconstruction. In this paper, we propose a novel algorithm that can jointly perform a 4-D reconstruction as well as correct the camera parameter errors introduced by external factors. The technique is founded upon variational optimization methods to benefit from their numerous advantages: continuity of the estimated surface in space and time, robustness, and accuracy. The performance of the proposed algorithm is tested using synthetic data produced through computer graphics techniques, based on which the errors of the camera parameters arising from natural factors can be simulated.