Parallel FFT-based Poisson solver for isolated three-dimensional systems

We describe an implementation to solve Poisson?s equation for an isolated system on a unigrid mesh using FFTs. The method solves the equation globally on mesh blocks distributed across multiple processes on a distributed-memory parallel computer. Test results to demonstrate the convergence and scaling properties of the implementation are presented. The solver is offered to interested users as the library PSPFFT.

Program summary

Program title: PSPFFTCatalogue identifier: AEJK_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEJK_v1_0.htmlProgram obtainable from: CPC Program Library, Queen?s University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 110 243No. of bytes in distributed program, including test data, etc.: 16 332 181Distribution format: tar.gzProgramming language: Fortran 95Computer: Any architecture with a Fortran 95 compiler, distributed memory clustersOperating system: Linux, UnixHas the code been vectorized or parallelized?: Yes, using MPI. An arbitrary number of processors may be used (subject to some constraints). The program has been tested on from 1 up to ∼ 13 000 processors. RAM: Depends on the problem size, approximately 170 MBytes for 48³ cells per process.Classification: 4.3, 6.5External routines: MPI (http://www.mcs.anl.gov/mpi/), FFTW (http://www.fftw.org), Silo (https://wci.llnl.gov/codes/silo/) (only necessary for running test problem).Nature of problem: Solving Poisson?s equation globally on unigrid mesh distributed across multiple processes on distributed memory system.Solution method: Numerical solution using multidimensional discrete Fourier Transform in a parallel Fortran 95 code.Unusual features: This code can be compiled as a library to be readily linked and used as a blackbox Poisson solver with other codes.Running time: Depends on the size of the problem, but typically less than 1 second per solve.     

Probabilistic Marching Cubes

In this paper we revisit the computation and visualization of equivalents to isocontours in uncertain scalar fields. We model uncertainty by discrete random fields and, in contrast to previous methods, also take arbitrary spatial correlations into account. Starting with joint distributions of the random variables associated to the sample locations, we compute level crossing probabilities for cells of the sample grid. This corresponds to computing the probabilities that the well‐known symmetry‐reduced marching cubes cases occur in random field realizations. For Gaussian random fields, only marginal density functions that correspond to the vertices of the considered cell need to be integrated. We compute the integrals for each cell in the sample grid using a Monte Carlo method. The probabilistic ansatz does not suffer from degenerate cases that usually require case distinctions and solutions of ill‐conditioned problems. Applications in 2D and 3D, both to synthetic and real data from ensemble simulations in climate research, illustrate the influence of spatial correlations on the spatial distribution of uncertain isocontours.     

Visual methods for analyzing time-oriented data

Providing appropriate methods to facilitate the analysis of time-oriented data is a key issue in many application domains. In this paper, we focus on the unique role of the parameter time in the context of visually driven data analysis. We will discuss three major aspects - visualization, analysis, and the user. It will be illustrated that it is necessary to consider the characteristics of time when generating visual representations. For that purpose we take a look at different types of time and present visual examples. Integrating visual and analytical methods has become an increasingly important issue. Therefore, we present our experiences in temporal data abstraction, principal component analysis, and clustering of larger volumes of time-oriented data. The third main aspect we discuss is supporting user-centered visual analysis. We describe event-based visualization as a promising means to adapt the visualization pipeline to needs and tasks of users.     

Deformation models for image recognition

We present the application of different nonlinear image deformation models to the task of image recognition. The deformation models are especially suited for local changes as they often occur in the presence of image object variability. We show that, among the discussed models, there is one approach that combines simplicity of implementation, low-computational complexity, and highly competitive performance across various real-world image recognition tasks. We show experimentally that the model performs very well for four different handwritten digit recognition tasks and for the classification of medical images, thus showing high generalization capacity. In particular, an error rate of 0.54 percent on the MNIST benchmark is achieved, as well as the lowest reported error rate, specifically 12.6 percent, in the 2005 international ImageCLEF evaluation of medical image specifically categorization.     

Contribution of laser microdissection-based technology to proteomic analysis in hepatocellular carcinoma developing on cirrhosis

Hepatocellular carcinoma (HCC) is a major cause of cancer worldwide. Proteomic studies provide opportunities to uncover targets for the diagnosis and treatment of this disease. However, in HCC developing in a setting of cirrhosis, the detection of proteome alterations may be hampered by the increased cellular heterogeneity of tissue when analysing global liver homogenates. The aim of this study was to evaluate whether the identification of proteome alterations in these HCC cases was improved when the differential protein profile between tumour and non-tumour areas of liver was determined using hepatocytes isolated by laser microdissection (LM). Differential profiles established with LM-hepatocytes and liver section homogenates using 2-DE and MS exhibited noticeable differences: 30% of the protein spots with deregulated expression in tumorous LM-samples did not display any modification in homogenates; conversely 15% of proteins altered in tumorous homogenates were not impaired in LM-hepatocytes. These alterations resulted from the presence in cirrhotic liver of fibrotic stroma which displayed a protein pattern different from that determined in LM-hepatocytes. In conclusion, our data demonstrate the interest of LM in distinguishing between fibrotic and hepatocyte proteome alterations and thus the benefit of LM to proteome studies of HCC developing in a context of cirrhosis.     

Memory capacity for sequences in a recurrent network with biological constraints

The CA3 region of the hippocampus is a recurrent neural network that is essential for the storage and replay of sequences of patterns that represent behavioral events. Here we present a theoretical framework to calculate a sparsely connected network's capacity to store such sequences. As in CA3, only a limited subset of neurons in the network is active at any one time, pattern retrieval is subject to error, and the resources for plasticity are limited. Our analysis combines an analytical mean field approach, stochastic dynamics, and cellular simulations of a time-discrete McCulloch-Pitts network with binary synapses. To maximize the number of sequences that can be stored in the network, we concurrently optimize the number of active neurons, that is, pattern size, and the firing threshold. We find that for one-step associations (i.e., minimal sequences), the optimal pattern size is inversely proportional to the mean connectivity c, whereas the optimal firing threshold is independent of the connectivity. If the number of synapses per neuron is fixed, the maximum number P of stored sequences in a sufficiently large, nonmodular network is independent of its number N of cells. On the other hand, if the number of synapses scales as the network size to the power of 3/2, the number of sequences P is proportional to N. In other words, sequential memory is scalable. Furthermore, we find that there is an optimal ratio r between silent and nonsilent synapses at which the storage capacity alpha = P//[c(1 + r)N] assumes a maximum. For long sequences, the capacity of sequential memory is about one order of magnitude below the capacity for minimal sequences, but otherwise behaves similar to the case of minimal sequences. In a biologically inspired scenario, the information content per synapse is far below theoretical optimality, suggesting that the brain trades off error tolerance against information content in encoding sequential memories.