998 resultados para Theoretische Chemie, Coupled-Cluster-Theorie
Resumo:
A mixture of Gaussians fit to a single curved or heavy-tailed cluster will report that the data contains many clusters. To produce more appropriate clusterings, we introduce a model which warps a latent mixture of Gaussians to produce nonparametric cluster shapes. The possibly low-dimensional latent mixture model allows us to summarize the properties of the high-dimensional clusters (or density manifolds) describing the data. The number of manifolds, as well as the shape and dimension of each manifold is automatically inferred. We derive a simple inference scheme for this model which analytically integrates out both the mixture parameters and the warping function. We show that our model is effective for density estimation, performs better than infinite Gaussian mixture models at recovering the true number of clusters, and produces interpretable summaries of high-dimensional datasets.
Resumo:
The capability to automatically identify shapes, objects and materials from the image content through direct and indirect methodologies has enabled the development of several civil engineering related applications that assist in the design, construction and maintenance of construction projects. This capability is a product of the technological breakthroughs in the area of image processing that has allowed for the development of a large number of digital imaging applications in all industries. In this paper, an automated and content based construction site image retrieval method is presented. This method is based on image retrieval techniques, and specifically those related with material and object identification and matches known material samples with material clusters within the image content. The results demonstrate the suitability of this method for construction site image retrieval purposes and reveal the capability of existing image processing technologies to accurately identify a wealth of materials from construction site images.
Resumo:
We present a novel filtering algorithm for tracking multiple clusters of coordinated objects. Based on a Markov chain Monte Carlo (MCMC) mechanism, the new algorithm propagates a discrete approximation of the underlying filtering density. A dynamic Gaussian mixture model is utilized for representing the time-varying clustering structure. This involves point process formulations of typical behavioral moves such as birth and death of clusters as well as merging and splitting. For handling complex, possibly large scale scenarios, the sampling efficiency of the basic MCMC scheme is enhanced via the use of a Metropolis within Gibbs particle refinement step. As the proposed methodology essentially involves random set representations, a new type of estimator, termed the probability hypothesis density surface (PHDS), is derived for computing point estimates. It is further proved that this estimator is optimal in the sense of the mean relative entropy. Finally, the algorithm's performance is assessed and demonstrated in both synthetic and realistic tracking scenarios. © 2012 Elsevier Ltd. All rights reserved.
Resumo:
This paper investigates the effect of mode-localization that arises from structural asymmetry induced by manufacturing tolerances in mechanically coupled, electrically transduced Si MEMS resonators. We demonstrate that in the case of such mechanically coupled resonators, the achievable series motional resistance (R x) is dependent not only on the quality factor (Q) but also on the variations in the eigenvector of the chosen mode of vibration induced by mode localization due to manufacturing tolerances during the fabrication process. We study this effect of mode-localization both theoretically and experimentally in two pairs of coupled double-ended tuning fork resonators with different levels of initial structural asymmetry. The measured series R x is minimal when the system is close to perfect symmetry and any deviation from structural symmetry induced by fabrication tolerances leads to a degradation in the effective R x. Mechanical tuning experiments of the stiffness of one of the coupled resonators was also conducted to study variations in R x as a function of structural asymmetry within the system, the results of which demonstrated consistent variations in motional resistance with predictions. © 2012 IEEE.
Resumo:
The free vibrational characteristics of coupled conical-cylindrical shells is presented. The equations of motion for the cylindrical shell are solved using a wave approach while the equations of motion for the conical shells are solved using a power series solution. The use of both Donnell-Mushtari and Flügge equations of motion are investigated and their limitations are discussed. Results are presented in terms of natural frequencies for different boundary conditions and the purely torsional mode solution is described. The results from the analytical model presented are compared with those obtained from a finite element model solved with Nastran and other data available in literature.
Resumo:
This paper presents numerical analysis of the thermally actuated superconducting flux pump. Visualization of the behavior of the magnetic flux helps our understanding of flux injection mechanism. In addition, in order to confirm validity of the result, we conducted a preliminary flux pump experiment. This result qualitatively agrees well with the experimental one. The flux pump system utilizes a particular behavior that permeability of some materials such as Gadolinium is sensitive to the temperature. In this paper a simple heater is used to control the flux pump system. © 2010 IEEE.
Resumo:
The low frequency vibrational spectrum of cluster beam deposited carbon films was studied by Brillouin light scattering. In thin films the values of both bulk modulus and shear modulus has been estimated from the shifts of surface phonon peaks. The values found indicate a mainly sp2 coordinated random network with low density. In thick films a bulk longitudinal phonon peak was detected in a spectral range compatible with the value of the index of refraction and of the elastic constants of thin films. High surface roughness, combined with a rather strong bulk central peak, prevented the observation of surface phonon features. © 1998 Elsevier Science Ltd. All rights reserved.
Resumo:
Electron multiplication charge-coupled devices (EMCCD) are widely used for photon counting experiments and measurements of low intensity light sources, and are extensively employed in biological fluorescence imaging applications. These devices have a complex statistical behaviour that is often not fully considered in the analysis of EMCCD data. Robust and optimal analysis of EMCCD images requires an understanding of their noise properties, in particular to exploit fully the advantages of Bayesian and maximum-likelihood analysis techniques, whose value is increasingly recognised in biological imaging for obtaining robust quantitative measurements from challenging data. To improve our own EMCCD analysis and as an effort to aid that of the wider bioimaging community, we present, explain and discuss a detailed physical model for EMCCD noise properties, giving a likelihood function for image counts in each pixel for a given incident intensity, and we explain how to measure the parameters for this model from various calibration images. © 2013 Hirsch et al.
Resumo:
Conventional Hidden Markov models generally consist of a Markov chain observed through a linear map corrupted by additive noise. This general class of model has enjoyed a huge and diverse range of applications, for example, speech processing, biomedical signal processing and more recently quantitative finance. However, a lesser known extension of this general class of model is the so-called Factorial Hidden Markov Model (FHMM). FHMMs also have diverse applications, notably in machine learning, artificial intelligence and speech recognition [13, 17]. FHMMs extend the usual class of HMMs, by supposing the partially observed state process is a finite collection of distinct Markov chains, either statistically independent or dependent. There is also considerable current activity in applying collections of partially observed Markov chains to complex action recognition problems, see, for example, [6]. In this article we consider the Maximum Likelihood (ML) parameter estimation problem for FHMMs. Much of the extant literature concerning this problem presents parameter estimation schemes based on full data log-likelihood EM algorithms. This approach can be slow to converge and often imposes heavy demands on computer memory. The latter point is particularly relevant for the class of FHMMs where state space dimensions are relatively large. The contribution in this article is to develop new recursive formulae for a filter-based EM algorithm that can be implemented online. Our new formulae are equivalent ML estimators, however, these formulae are purely recursive and so, significantly reduce numerical complexity and memory requirements. A computer simulation is included to demonstrate the performance of our results. © Taylor & Francis Group, LLC.