Circular polarization measurement in millimeter-wavelength spectral-line VLBI observations

This paper considers the problem of accurate measurement of circular polarization in imaging spectral-line VLBI observations in the lambda=7 mm and lambda=3 mm wavelength bands. This capability is especially valuable for the full observational study of compact, polarized SiO maser components in the near-circumstellar environment of late-type, evolved stars. Circular VLBI polarimetry provides important constraints on SiO maser astrophysics, including the theory of polarized maser emission transport, and on the strength and distribution of the stellar magnetic field and its dynamical role in this critical circumstellar region. We perform an analysis here of the data model containing the instrumental factors that limit the accuracy of circular polarization measurements in such observations, and present a corresponding data reduction algorithm for their correction. The algorithm is an enhancement of existing spectral line VLBI polarimetry methods using autocorrelation data for calibration, but with innovations in bandpass determination, autocorrelation polarization self-calibration, and general optimizations for the case of low SNR, as applicable at these wavelengths. We present an example data reduction at $\lambda=7$ mm and derive an estimate of the predicted accuracy of the method of m_c < 0.5% or better at lambda=7 mm and m_c < 0.5-1% or better at lambda=3 mm. Both the strengths and weaknesses of the proposed algorithm are discussed, along with suggestions for future work.Comment: 23 pages, 13 figure

Efficient execution of Java programs on GPU

Dissertação de mestrado em Informatics EngineeringWith the overwhelming increase of demand of computational power made by fields as Big Data, Deep Machine learning and Image processing the Graphics Processing Units (GPUs) has been seen as a valuable tool to compute the main workload involved. Nonetheless, these solutions have limited support for object-oriented languages that often require manual memory handling which is an obstacle to bringing together the large community of object oriented programmers and the high-performance computing field. In this master thesis, different memory optimizations and their impacts were studied in a GPU Java context using Aparapi. These include solutions for different identifiable bottlenecks of commonly used kernels exploiting its full capabilities by studying the GPU hardware and current techniques available. These results were set against common used C/OpenCL benchmarks and respective optimizations proving, that high-level languages can be a solution to high-performance software demand.Com o aumento de poder computacional requisitado por campos como Big Data, Deep Machine Learning e Processamento de Imagens, as unidades de processamento gráfico (GPUs) tem sido vistas como uma ferramenta valiosa para executar a principal carga de trabalho envolvida. No entanto, esta solução tem suporte limitado para linguagens orientadas a objetos. Frequentemente estas requerem manipulação manual de memória, o que é um obstáculo para reunir a grande comunidade de programadores orientados a objetos e o campo da computação de alto desempenho. Nesta dissertação de mestrado, diferentes otimizações de memória e os seus impactos foram estudados utilizando Aparapi. As otimizações estudadas pretendem solucionar bottle-necks identificáveis em kernels frequentemente utilizados. Os resultados obtidos foram comparados com benchmarks C / OpenCL populares e as suas respectivas otimizações, provando que as linguagens de alto nível podem ser uma solução para programas que requerem computação de alto desempenho

Exploring the flexibility of MIL-47(V)-type materials using force field molecular dynamics simulations

The flexibility of three MIL-47(V)-type materials (MIL-47, COMOC-2, and COMOC-3) has been explored by constructing the pressure versus volume and free energy versus volume profiles at various temperatures ranging from 100 to 400 K This is done with first-principles-based force fields using the recently proposed QuickFF parametrization protocol. Specific terms were added for the materials at hand to describe the asymmetry of the one-dimensional vanadium oxide chain and to account for the flexibility of the organic linkers. The force fields are used in a series of molecular dynamics simulations at fixed volumes but varying unit cell shapes. The three materials show a distinct pressure-volume behavior, which underlines the ability to tune the mechanical properties by varying the linkers toward different applications such as nanosprings, dampers, and shock absorbers

Large Scale Clustering with Variational EM for Gaussian Mixture Models

How can we efficiently find large numbers of clusters in large data sets with high-dimensional data points? Our aim is to explore the current efficiency and large-scale limits in fitting a parametric model for clustering to data distributions. To do so, we combine recent lines of research which have previously focused on separate specific methods for complexity reduction. We first show theoretically how the clustering objective of variational EM (which reduces complexity for many clusters) can be combined with coreset objectives (which reduce complexity for many data points). Secondly, we realize a concrete highly efficient iterative procedure which combines and translates the theoretical complexity gains of truncated variational EM and coresets into a practical algorithm. For very large scales, the high efficiency of parameter updates then requires (A) highly efficient coreset construction and (B) highly efficient initialization procedures (seeding) in order to avoid computational bottlenecks. Fortunately very efficient coreset construction has become available in the form of light-weight coresets, and very efficient initialization has become available in the form of AFK-MC$^2$ seeding. The resulting algorithm features balanced computational costs across all constituting components. In applications to standard large-scale benchmarks for clustering, we investigate the algorithm's efficiency/quality trade-off. Compared to the best recent approaches, we observe speedups of up to one order of magnitude, and up to two orders of magnitude compared to the $k$-means++ baseline. To demonstrate that the observed efficiency enables previously considered unfeasible applications, we cluster the entire and unscaled 80 Mio. Tiny Images dataset into up to 32,000 clusters. To the knowledge of the authors, this represents the largest scale fit of a parametric data model for clustering reported so far

XQuery Streaming by Forest Transducers

Streaming of XML transformations is a challenging task and only very few systems support streaming. Research approaches generally define custom fragments of XQuery and XPath that are amenable to streaming, and then design custom algorithms for each fragment. These languages have several shortcomings. Here we take a more principles approach to the problem of streaming XQuery-based transformations. We start with an elegant transducer model for which many static analysis problems are well-understood: the Macro Forest Transducer (MFT). We show that a large fragment of XQuery can be translated into MFTs --- indeed, a fragment of XQuery, that can express important features that are missing from other XQuery stream engines, such as GCX: our fragment of XQuery supports XPath predicates and let-statements. We then rely on a streaming execution engine for MFTs, one which uses a well-founded set of optimizations from functional programming, such as strictness analysis and deforestation. Our prototype achieves time and memory efficiency comparable to the fastest known engine for XQuery streaming, GCX. This is surprising because our engine relies on the OCaml built in garbage collector and does not use any specialized buffer management, while GCX's efficiency is due to clever and explicit buffer management.Comment: Full version of the paper in the Proceedings of the 30th IEEE International Conference on Data Engineering (ICDE 2014

Tuning the Performance of a Computational Persistent Homology Package

In recent years, persistent homology has become an attractive method for data analysis. It captures topological features, such as connected components, holes, and voids from point cloud data and summarizes the way in which these features appear and disappear in a filtration sequence. In this project, we focus on improving the performanceof Eirene, a computational package for persistent homology. Eirene is a 5000-line open-source software library implemented in the dynamic programming language Julia. We use the Julia profiling tools to identify performance bottlenecks and develop novel methods to manage them, including the parallelization of some time-consuming functions on multicore/manycore hardware. Empirical results show that performance can be greatly improved