Simulação de Monte Carlo: de modelos de spin à teoria de campos na rede

Pós-graduação em Física - IFT

Correntes críticas e comportamento dinâmico dos vórtices em fitas supercondutoras do tipo II com arranjos conformes de centros de aprisionamento

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Correntes críticas e comportamento dinâmico dos vórtices em fitas supercondutoras do tipo II com arranjos conformes de centros de aprisionamento

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Molecular determinants of caste differentiation in the highly eusocial honeybee Apis mellifera

Abstract Background In honeybees, differential feeding of female larvae promotes the occurrence of two different phenotypes, a queen and a worker, from identical genotypes, through incremental alterations, which affect general growth, and character state alterations that result in the presence or absence of specific structures. Although previous studies revealed a link between incremental alterations and differential expression of physiometabolic genes, the molecular changes accompanying character state alterations remain unknown. Results By using cDNA microarray analyses of >6,000 Apis mellifera ESTs, we found 240 differentially expressed genes (DEGs) between developing queens and workers. Many genes recorded as up-regulated in prospective workers appear to be unique to A. mellifera, suggesting that the workers' developmental pathway involves the participation of novel genes. Workers up-regulate more developmental genes than queens, whereas queens up-regulate a greater proportion of physiometabolic genes, including genes coding for metabolic enzymes and genes whose products are known to regulate the rate of mass-transforming processes and the general growth of the organism (e.g., tor). Many DEGs are likely to be involved in processes favoring the development of caste-biased structures, like brain, legs and ovaries, as well as genes that code for cytoskeleton constituents. Treatment of developing worker larvae with juvenile hormone (JH) revealed 52 JH responsive genes, specifically during the critical period of caste development. Using Gibbs sampling and Expectation Maximization algorithms, we discovered eight overrepresented cis-elements from four gene groups. Graph theory and complex networks concepts were adopted to attain powerful graphical representations of the interrelation between cis-elements and genes and objectively quantify the degree of relationship between these entities. Conclusion We suggest that clusters of functionally related DEGs are co-regulated during caste development in honeybees. This network of interactions is activated by nutrition-driven stimuli in early larval stages. Our data are consistent with the hypothesis that JH is a key component of the developmental determination of queen-like characters. Finally, we propose a conceptual model of caste differentiation in A. mellifera based on gene-regulatory networks.

Comparison of climate field reconstruction techniques: Application to Europe

This paper presents a comparison of principal component (PC) regression and regularized expectation maximization (RegEM) to reconstruct European summer and winter surface air temperature over the past millennium. Reconstruction is performed within a surrogate climate using the National Center for Atmospheric Research (NCAR) Climate System Model (CSM) 1.4 and the climate model ECHO-G 4, assuming different white and red noise scenarios to define the distortion of pseudoproxy series. We show how sensitivity tests lead to valuable “a priori” information that provides a basis for improving real world proxy reconstructions. Our results emphasize the need to carefully test and evaluate reconstruction techniques with respect to the temporal resolution and the spatial scale they are applied to. Furthermore, we demonstrate that uncertainties inherent to the predictand and predictor data have to be more rigorously taken into account. The comparison of the two statistical techniques, in the specific experimental setting presented here, indicates that more skilful results are achieved with RegEM as low frequency variability is better preserved. We further detect seasonal differences in reconstruction skill for the continental scale, as e.g. the target temperature average is more adequately reconstructed for summer than for winter. For the specific predictor network given in this paper, both techniques underestimate the target temperature variations to an increasing extent as more noise is added to the signal, albeit RegEM less than with PC regression. We conclude that climate field reconstruction techniques can be improved and need to be further optimized in future applications.

Differential dynamic properties of scleroderma fibroblasts in response to perturbation of environmental stimuli.

Diseases are believed to arise from dysregulation of biological systems (pathways) perturbed by environmental triggers. Biological systems as a whole are not just the sum of their components, rather ever-changing, complex and dynamic systems over time in response to internal and external perturbation. In the past, biologists have mainly focused on studying either functions of isolated genes or steady-states of small biological pathways. However, it is systems dynamics that play an essential role in giving rise to cellular function/dysfunction which cause diseases, such as growth, differentiation, division and apoptosis. Biological phenomena of the entire organism are not only determined by steady-state characteristics of the biological systems, but also by intrinsic dynamic properties of biological systems, including stability, transient-response, and controllability, which determine how the systems maintain their functions and performance under a broad range of random internal and external perturbations. As a proof of principle, we examine signal transduction pathways and genetic regulatory pathways as biological systems. We employ widely used state-space equations in systems science to model biological systems, and use expectation-maximization (EM) algorithms and Kalman filter to estimate the parameters in the models. We apply the developed state-space models to human fibroblasts obtained from the autoimmune fibrosing disease, scleroderma, and then perform dynamic analysis of partial TGF-beta pathway in both normal and scleroderma fibroblasts stimulated by silica. We find that TGF-beta pathway under perturbation of silica shows significant differences in dynamic properties between normal and scleroderma fibroblasts. Our findings may open a new avenue in exploring the functions of cells and mechanism operative in disease development.

Differential dynamic properties of scleroderma fibroblasts in response to perturbation of environmental stimuli.

Diseases are believed to arise from dysregulation of biological systems (pathways) perturbed by environmental triggers. Biological systems as a whole are not just the sum of their components, rather ever-changing, complex and dynamic systems over time in response to internal and external perturbation. In the past, biologists have mainly focused on studying either functions of isolated genes or steady-states of small biological pathways. However, it is systems dynamics that play an essential role in giving rise to cellular function/dysfunction which cause diseases, such as growth, differentiation, division and apoptosis. Biological phenomena of the entire organism are not only determined by steady-state characteristics of the biological systems, but also by intrinsic dynamic properties of biological systems, including stability, transient-response, and controllability, which determine how the systems maintain their functions and performance under a broad range of random internal and external perturbations. As a proof of principle, we examine signal transduction pathways and genetic regulatory pathways as biological systems. We employ widely used state-space equations in systems science to model biological systems, and use expectation-maximization (EM) algorithms and Kalman filter to estimate the parameters in the models. We apply the developed state-space models to human fibroblasts obtained from the autoimmune fibrosing disease, scleroderma, and then perform dynamic analysis of partial TGF-beta pathway in both normal and scleroderma fibroblasts stimulated by silica. We find that TGF-beta pathway under perturbation of silica shows significant differences in dynamic properties between normal and scleroderma fibroblasts. Our findings may open a new avenue in exploring the functions of cells and mechanism operative in disease development.

Projector Model for Efficient List-Mode Reconstruction in PET Scanners with Parallel Planar Detectors

We have developed a new projector model specifically tailored for fast list-mode tomographic reconstructions in Positron emission tomography (PET) scanners with parallel planar detectors. The model provides an accurate estimation of the probability distribution of coincidence events defined by pairs of scintillating crystals. This distribution is parameterized with 2D elliptical Gaussian functions defined in planes perpendicular to the main axis of the tube of response (TOR). The parameters of these Gaussian functions have been obtained by fitting Monte Carlo simulations that include positron range, acolinearity of gamma rays, as well as detector attenuation and scatter effects. The proposed model has been applied efficiently to list-mode reconstruction algorithms. Evaluation with Monte Carlo simulations over a rotating high resolution PET scanner indicates that this model allows to obtain better recovery to noise ratio in OSEM (ordered-subsets, expectation-maximization) reconstruction, if compared to list-mode reconstruction with symmetric circular Gaussian TOR model, and histogram-based OSEM with precalculated system matrix using Monte Carlo simulated models and symmetries.

Probabilistic mapping with mobile robots in structured environments

La mayor parte de los entornos diseñados por el hombre presentan características geométricas específicas. En ellos es frecuente encontrar formas poligonales, rectangulares, circulares . . . con una serie de relaciones típicas entre distintos elementos del entorno. Introducir este tipo de conocimiento en el proceso de construcción de mapas de un robot móvil puede mejorar notablemente la calidad y la precisión de los mapas resultantes. También puede hacerlos más útiles de cara a un razonamiento de más alto nivel. Cuando la construcción de mapas se formula en un marco probabilístico Bayesiano, una especificación completa del problema requiere considerar cierta información a priori sobre el tipo de entorno. El conocimiento previo puede aplicarse de varias maneras, en esta tesis se presentan dos marcos diferentes: uno basado en el uso de primitivas geométricas y otro que emplea un método de representación cercano al espacio de las medidas brutas. Un enfoque basado en características geométricas supone implícitamente imponer un cierto modelo a priori para el entorno. En este sentido, el desarrollo de una solución al problema SLAM mediante la optimización de un grafo de características geométricas constituye un primer paso hacia nuevos métodos de construcción de mapas en entornos estructurados. En el primero de los dos marcos propuestos, el sistema deduce la información a priori a aplicar en cada caso en base a una extensa colección de posibles modelos geométricos genéricos, siguiendo un método de Maximización de la Esperanza para hallar la estructura y el mapa más probables. La representación de la estructura del entorno se basa en un enfoque jerárquico, con diferentes niveles de abstracción para los distintos elementos geométricos que puedan describirlo. Se llevaron a cabo diversos experimentos para mostrar la versatilidad y el buen funcionamiento del método propuesto. En el segundo marco, el usuario puede definir diferentes modelos de estructura para el entorno mediante grupos de restricciones y energías locales entre puntos vecinos de un conjunto de datos del mismo. El grupo de restricciones que se aplica a cada grupo de puntos depende de la topología, que es inferida por el propio sistema. De este modo, se pueden incorporar nuevos modelos genéricos de estructura para el entorno con gran flexibilidad y facilidad. Se realizaron distintos experimentos para demostrar la flexibilidad y los buenos resultados del enfoque propuesto. Abstract Most human designed environments present specific geometrical characteristics. In them, it is easy to find polygonal, rectangular and circular shapes, with a series of typical relations between different elements of the environment. Introducing this kind of knowledge in the mapping process of mobile robots can notably improve the quality and accuracy of the resulting maps. It can also make them more suitable for higher level reasoning applications. When mapping is formulated in a Bayesian probabilistic framework, a complete specification of the problem requires considering a prior for the environment. The prior over the structure of the environment can be applied in several ways; this dissertation presents two different frameworks, one using a feature based approach and another one employing a dense representation close to the measurements space. A feature based approach implicitly imposes a prior for the environment. In this sense, feature based graph SLAM was a first step towards a new mapping solution for structured scenarios. In the first framework, the prior is inferred by the system from a wide collection of feature based priors, following an Expectation-Maximization approach to obtain the most probable structure and the most probable map. The representation of the structure of the environment is based on a hierarchical model with different levels of abstraction for the geometrical elements describing it. Various experiments were conducted to show the versatility and the good performance of the proposed method. In the second framework, different priors can be defined by the user as sets of local constraints and energies for consecutive points in a range scan from a given environment. The set of constraints applied to each group of points depends on the topology, which is inferred by the system. This way, flexible and generic priors can be incorporated very easily. Several tests were carried out to demonstrate the flexibility and the good results of the proposed approach.

Classical segmentation methods on novel MR imaging: a study of brain tissue segmentation of MP2RAGE vs MPRAGE

MP2RAGE has proven to be a bias-free MR acquisition with excellent contrast between grey and white matter. We investigated the ability of three state-of-the-art algorithms to automatically extract white matter (WM), grey matter (GM) and cerebrospinal fluid (CSF) from MPRAGE and MP2RAGE images: unified Segmentation (S) in SPM82 , its extension New Segment (NS), and an in-house Expectation-Maximization Markov Random Field tissue classification3 (EM-MRF) with Graph Cut (GC) optimization4 . Our goal is to quantify the differences between MPRAGE and MP2RAGE-based brain tissue probability maps.

ARED: human AU-rich element-containing mRNA database reveals an unexpectedly diverse functional repertoire of encoded proteins

The adenylate uridylate-rich elements (AREs) mediate the rapid turnover of mRNAs encoding proteins that regulate cellular growth and body response to exogenous agents such as microbes, inflammatory and environmental stimuli. However, the full repertoire of ARE-containing mRNAs is unknown. Here, we explore the distribution of AREs in human mRNA sequences. Computational derivation of a 13-bp ARE pattern was performed using multiple expectation maximization for motif elicitations (MEME) and consensus analyses. This pattern was statistically validated for the specificity towards the 3′-untranslated region and not coding region. The computationally derived ARE pattern is the basis of a database which contains non-redundant full-length ARE-mRNAs. The ARE-mRNA database (ARED; http://rc.kfshrc.edu.sa/ared) reveals that ARE-mRNAs encode a wide repertoire of functionally diverse proteins that belong to different biological processes and are important in several disease states. Cluster analysis was performed using the ARE sequences to demonstrate potential relationships between the type and number of ARE motifs, and the functional characteristics of the proteins.

Estudio y mejora de métodos de registro 3D: aceleración sobre unidades de procesamiento gráfico y caracterización del espacio de transformaciones iniciales

Durante los últimos años ha sido creciente el uso de las unidades de procesamiento gráfico, más conocidas como GPU (Graphic Processing Unit), en aplicaciones de propósito general, dejando a un lado el objetivo para el que fueron creadas y que no era otro que el renderizado de gráficos por computador. Este crecimiento se debe en parte a la evolución que han experimentado estos dispositivos durante este tiempo y que les ha dotado de gran potencia de cálculo, consiguiendo que su uso se extienda desde ordenadores personales a grandes cluster. Este hecho unido a la proliferación de sensores RGB-D de bajo coste ha hecho que crezca el número de aplicaciones de visión que hacen uso de esta tecnología para la resolución de problemas, así como también para el desarrollo de nuevas aplicaciones. Todas estas mejoras no solamente se han realizado en la parte hardware, es decir en los dispositivos, sino también en la parte software con la aparición de nuevas herramientas de desarrollo que facilitan la programación de estos dispositivos GPU. Este nuevo paradigma se acuñó como Computación de Propósito General sobre Unidades de Proceso Gráfico (General-Purpose computation on Graphics Processing Units, GPGPU). Los dispositivos GPU se clasifican en diferentes familias, en función de las distintas características hardware que poseen. Cada nueva familia que aparece incorpora nuevas mejoras tecnológicas que le permite conseguir mejor rendimiento que las anteriores. No obstante, para sacar un rendimiento óptimo a un dispositivo GPU es necesario configurarlo correctamente antes de usarlo. Esta configuración viene determinada por los valores asignados a una serie de parámetros del dispositivo. Por tanto, muchas de las implementaciones que hoy en día hacen uso de los dispositivos GPU para el registro denso de nubes de puntos 3D, podrían ver mejorado su rendimiento con una configuración óptima de dichos parámetros, en función del dispositivo utilizado. Es por ello que, ante la falta de un estudio detallado del grado de afectación de los parámetros GPU sobre el rendimiento final de una implementación, se consideró muy conveniente la realización de este estudio. Este estudio no sólo se realizó con distintas configuraciones de parámetros GPU, sino también con diferentes arquitecturas de dispositivos GPU. El objetivo de este estudio es proporcionar una herramienta de decisión que ayude a los desarrolladores a la hora implementar aplicaciones para dispositivos GPU. Uno de los campos de investigación en los que más prolifera el uso de estas tecnologías es el campo de la robótica ya que tradicionalmente en robótica, sobre todo en la robótica móvil, se utilizaban combinaciones de sensores de distinta naturaleza con un alto coste económico, como el láser, el sónar o el sensor de contacto, para obtener datos del entorno. Más tarde, estos datos eran utilizados en aplicaciones de visión por computador con un coste computacional muy alto. Todo este coste, tanto el económico de los sensores utilizados como el coste computacional, se ha visto reducido notablemente gracias a estas nuevas tecnologías. Dentro de las aplicaciones de visión por computador más utilizadas está el registro de nubes de puntos. Este proceso es, en general, la transformación de diferentes nubes de puntos a un sistema de coordenadas conocido. Los datos pueden proceder de fotografías, de diferentes sensores, etc. Se utiliza en diferentes campos como son la visión artificial, la imagen médica, el reconocimiento de objetos y el análisis de imágenes y datos de satélites. El registro se utiliza para poder comparar o integrar los datos obtenidos en diferentes mediciones. En este trabajo se realiza un repaso del estado del arte de los métodos de registro 3D. Al mismo tiempo, se presenta un profundo estudio sobre el método de registro 3D más utilizado, Iterative Closest Point (ICP), y una de sus variantes más conocidas, Expectation-Maximization ICP (EMICP). Este estudio contempla tanto su implementación secuencial como su implementación paralela en dispositivos GPU, centrándose en cómo afectan a su rendimiento las distintas configuraciones de parámetros GPU. Como consecuencia de este estudio, también se presenta una propuesta para mejorar el aprovechamiento de la memoria de los dispositivos GPU, permitiendo el trabajo con nubes de puntos más grandes, reduciendo el problema de la limitación de memoria impuesta por el dispositivo. El funcionamiento de los métodos de registro 3D utilizados en este trabajo depende en gran medida de la inicialización del problema. En este caso, esa inicialización del problema consiste en la correcta elección de la matriz de transformación con la que se iniciará el algoritmo. Debido a que este aspecto es muy importante en este tipo de algoritmos, ya que de él depende llegar antes o no a la solución o, incluso, no llegar nunca a la solución, en este trabajo se presenta un estudio sobre el espacio de transformaciones con el objetivo de caracterizarlo y facilitar la elección de la transformación inicial a utilizar en estos algoritmos.

Self-training from labeled features for sentiment analysis

Sentiment analysis concerns about automatically identifying sentiment or opinion expressed in a given piece of text. Most prior work either use prior lexical knowledge defined as sentiment polarity of words or view the task as a text classification problem and rely on labeled corpora to train a sentiment classifier. While lexicon-based approaches do not adapt well to different domains, corpus-based approaches require expensive manual annotation effort. In this paper, we propose a novel framework where an initial classifier is learned by incorporating prior information extracted from an existing sentiment lexicon with preferences on expectations of sentiment labels of those lexicon words being expressed using generalized expectation criteria. Documents classified with high confidence are then used as pseudo-labeled examples for automatical domain-specific feature acquisition. The word-class distributions of such self-learned features are estimated from the pseudo-labeled examples and are used to train another classifier by constraining the model's predictions on unlabeled instances. Experiments on both the movie-review data and the multi-domain sentiment dataset show that our approach attains comparable or better performance than existing weakly-supervised sentiment classification methods despite using no labeled documents.

Incorporating sentiment prior knowledge for weakly supervised sentiment analysis

This article presents two novel approaches for incorporating sentiment prior knowledge into the topic model for weakly supervised sentiment analysis where sentiment labels are considered as topics. One is by modifying the Dirichlet prior for topic-word distribution (LDA-DP), the other is by augmenting the model objective function through adding terms that express preferences on expectations of sentiment labels of the lexicon words using generalized expectation criteria (LDA-GE). We conducted extensive experiments on English movie review data and multi-domain sentiment dataset as well as Chinese product reviews about mobile phones, digital cameras, MP3 players, and monitors. The results show that while both LDA-DP and LDAGE perform comparably to existing weakly supervised sentiment classification algorithms, they are much simpler and computationally efficient, rendering themmore suitable for online and real-time sentiment classification on the Web. We observed that LDA-GE is more effective than LDA-DP, suggesting that it should be preferred when considering employing the topic model for sentiment analysis. Moreover, both models are able to extract highly domain-salient polarity words from text.

Learning sentiment classification model from labeled features

We propose a novel framework where an initial classifier is learned by incorporating prior information extracted from an existing sentiment lexicon. Preferences on expectations of sentiment labels of those lexicon words are expressed using generalized expectation criteria. Documents classified with high confidence are then used as pseudo-labeled examples for automatical domain-specific feature acquisition. The word-class distributions of such self-learned features are estimated from the pseudo-labeled examples and are used to train another classifier by constraining the model's predictions on unlabeled instances. Experiments on both the movie review data and the multi-domain sentiment dataset show that our approach attains comparable or better performance than exiting weakly-supervised sentiment classification methods despite using no labeled documents.