Engineering Parallel String Sorting

We discuss how string sorting algorithms can be parallelized on modern multi-core shared memory machines. As a synthesis of the best sequential string sorting algorithms and successful parallel sorting algorithms for atomic objects, we first propose string sample sort. The algorithm makes effective use of the memory hierarchy, uses additional word level parallelism, and largely avoids branch mispredictions. Then we focus on NUMA architectures, and develop parallel multiway LCP-merge and -mergesort to reduce the number of random memory accesses to remote nodes. Additionally, we parallelize variants of multikey quicksort and radix sort that are also useful in certain situations. Comprehensive experiments on five current multi-core platforms are then reported and discussed. The experiments show that our implementations scale very well on real-world inputs and modern machines.Comment: 46 pages, extension of "Parallel String Sample Sort" arXiv:1305.115

Artificial Sequences and Complexity Measures

In this paper we exploit concepts of information theory to address the fundamental problem of identifying and defining the most suitable tools to extract, in a automatic and agnostic way, information from a generic string of characters. We introduce in particular a class of methods which use in a crucial way data compression techniques in order to define a measure of remoteness and distance between pairs of sequences of characters (e.g. texts) based on their relative information content. We also discuss in detail how specific features of data compression techniques could be used to introduce the notion of dictionary of a given sequence and of Artificial Text and we show how these new tools can be used for information extraction purposes. We point out the versatility and generality of our method that applies to any kind of corpora of character strings independently of the type of coding behind them. We consider as a case study linguistic motivated problems and we present results for automatic language recognition, authorship attribution and self consistent-classification.Comment: Revised version, with major changes, of previous "Data Compression approach to Information Extraction and Classification" by A. Baronchelli and V. Loreto. 15 pages; 5 figure

An Introduction to Programming for Bioscientists: A Python-based Primer

Computing has revolutionized the biological sciences over the past several decades, such that virtually all contemporary research in the biosciences utilizes computer programs. The computational advances have come on many fronts, spurred by fundamental developments in hardware, software, and algorithms. These advances have influenced, and even engendered, a phenomenal array of bioscience fields, including molecular evolution and bioinformatics; genome-, proteome-, transcriptome- and metabolome-wide experimental studies; structural genomics; and atomistic simulations of cellular-scale molecular assemblies as large as ribosomes and intact viruses. In short, much of post-genomic biology is increasingly becoming a form of computational biology. The ability to design and write computer programs is among the most indispensable skills that a modern researcher can cultivate. Python has become a popular programming language in the biosciences, largely because (i) its straightforward semantics and clean syntax make it a readily accessible first language; (ii) it is expressive and well-suited to object-oriented programming, as well as other modern paradigms; and (iii) the many available libraries and third-party toolkits extend the functionality of the core language into virtually every biological domain (sequence and structure analyses, phylogenomics, workflow management systems, etc.). This primer offers a basic introduction to coding, via Python, and it includes concrete examples and exercises to illustrate the language's usage and capabilities; the main text culminates with a final project in structural bioinformatics. A suite of Supplemental Chapters is also provided. Starting with basic concepts, such as that of a 'variable', the Chapters methodically advance the reader to the point of writing a graphical user interface to compute the Hamming distance between two DNA sequences.Comment: 65 pages total, including 45 pages text, 3 figures, 4 tables, numerous exercises, and 19 pages of Supporting Information; currently in press at PLOS Computational Biolog

Graph edit distance from spectral seriation

This paper is concerned with computing graph edit distance. One of the criticisms that can be leveled at existing methods for computing graph edit distance is that they lack some of the formality and rigor of the computation of string edit distance. Hence, our aim is to convert graphs to string sequences so that string matching techniques can be used. To do this, we use a graph spectral seriation method to convert the adjacency matrix into a string or sequence order. We show how the serial ordering can be established using the leading eigenvector of the graph adjacency matrix. We pose the problem of graph-matching as a maximum a posteriori probability (MAP) alignment of the seriation sequences for pairs of graphs. This treatment leads to an expression in which the edit cost is the negative logarithm of the a posteriori sequence alignment probability. We compute the edit distance by finding the sequence of string edit operations which minimizes the cost of the path traversing the edit lattice. The edit costs are determined by the components of the leading eigenvectors of the adjacency matrix and by the edge densities of the graphs being matched. We demonstrate the utility of the edit distance on a number of graph clustering problems

Complex Data: Mining using Patterns

There is a growing need to analyse sets of complex data, i.e., data in which the individual data items are (semi-) structured collections of data themselves, such as sets of time-series. To perform such analysis, one has to redefine familiar notions such as similarity on such complex data types. One can do that either on the data items directly, or indi- rectly, based on features or patterns computed from the individual data items. In this paper, we argue that wavelet decomposition is a general tool for the latter approac

Finding any Waldo: zero-shot invariant and efficient visual search

Searching for a target object in a cluttered scene constitutes a fundamental challenge in daily vision. Visual search must be selective enough to discriminate the target from distractors, invariant to changes in the appearance of the target, efficient to avoid exhaustive exploration of the image, and must generalize to locate novel target objects with zero-shot training. Previous work has focused on searching for perfect matches of a target after extensive category-specific training. Here we show for the first time that humans can efficiently and invariantly search for natural objects in complex scenes. To gain insight into the mechanisms that guide visual search, we propose a biologically inspired computational model that can locate targets without exhaustive sampling and generalize to novel objects. The model provides an approximation to the mechanisms integrating bottom-up and top-down signals during search in natural scenes.Comment: Number of figures: 6 Number of supplementary figures: 1

Modeling Algorithm Performance on Highly-threaded Many-core Architectures

The rapid growth of data processing required in various arenas of computation over the past decades necessitates extensive use of parallel computing engines. Among those, highly-threaded many-core machines, such as GPUs have become increasingly popular for accelerating a diverse range of data-intensive applications. They feature a large number of hardware threads with low-overhead context switches to hide the memory access latencies and therefore provide high computational throughput. However, understanding and harnessing such machines places great challenges on algorithm designers and performance tuners due to the complex interaction of threads and hierarchical memory subsystems of these machines. The achieved performance jointly depends on the parallelism exploited by the algorithm, the effectiveness of latency hiding, and the utilization of multiprocessors (occupancy). Contemporary work tries to model the performance of GPUs from various aspects with different emphasis and granularity. However, no model considers all of these factors together at the same time. This dissertation presents an analytical framework that jointly addresses parallelism, latency-hiding, and occupancy for both theoretical and empirical performance analysis of algorithms on highly-threaded many-core machines so that it can guide both algorithm design and performance tuning. In particular, this framework not only helps to explore and reduce the runtime configuration space for tuning kernel execution on GPUs, but also reflects performance bottlenecks and predicts how the runtime will trend as the problem and other parameters scale. The framework consists of a pair of analytical models with one focusing on higher-level asymptotic algorithm performance on GPUs and the other one emphasizing lower-level details about scheduling and runtime configuration. Based on the two models, we have conducted extensive analysis of a large set of algorithms. Two analysis provides interesting results and explains previously unexplained data. In addition, the two models are further bridged and combined as a consistent framework. The framework is able to provide an end-to-end methodology for algorithm design, evaluation, comparison, implementation, and prediction of real runtime on GPUs fairly accurately. To demonstrate the viability of our methods, the models are validated through data from implementations of a variety of classic algorithms, including hashing, Bloom filters, all-pairs shortest path, matrix multiplication, FFT, merge sort, list ranking, string matching via suffix tree/array, etc. We evaluate the models\u27 performance across a wide spectrum of parameters, data values, and machines. The results indicate that the models can be effectively used for algorithm performance analysis and runtime prediction on highly-threaded many-core machines

Novel computational techniques for mapping and classifying Next-Generation Sequencing data

Since their emergence around 2006, Next-Generation Sequencing technologies have been revolutionizing biological and medical research. Quickly obtaining an extensive amount of short or long reads of DNA sequence from almost any biological sample enables detecting genomic variants, revealing the composition of species in a metagenome, deciphering cancer biology, decoding the evolution of living or extinct species, or understanding human migration patterns and human history in general. The pace at which the throughput of sequencing technologies is increasing surpasses the growth of storage and computer capacities, which creates new computational challenges in NGS data processing. In this thesis, we present novel computational techniques for read mapping and taxonomic classification. With more than a hundred of published mappers, read mapping might be considered fully solved. However, the vast majority of mappers follow the same paradigm and only little attention has been paid to non-standard mapping approaches. Here, we propound the so-called dynamic mapping that we show to significantly improve the resulting alignments compared to traditional mapping approaches. Dynamic mapping is based on exploiting the information from previously computed alignments, helping to improve the mapping of subsequent reads. We provide the first comprehensive overview of this method and demonstrate its qualities using Dynamic Mapping Simulator, a pipeline that compares various dynamic mapping scenarios to static mapping and iterative referencing. An important component of a dynamic mapper is an online consensus caller, i.e., a program collecting alignment statistics and guiding updates of the reference in the online fashion. We provide Ococo, the first online consensus caller that implements a smart statistics for individual genomic positions using compact bit counters. Beyond its application to dynamic mapping, Ococo can be employed as an online SNP caller in various analysis pipelines, enabling SNP calling from a stream without saving the alignments on disk. Metagenomic classification of NGS reads is another major topic studied in the thesis. Having a database with thousands of reference genomes placed on a taxonomic tree, the task is to rapidly assign a huge amount of NGS reads to tree nodes, and possibly estimate the relative abundance of involved species. In this thesis, we propose improved computational techniques for this task. In a series of experiments, we show that spaced seeds consistently improve the classification accuracy. We provide Seed-Kraken, a spaced seed extension of Kraken, the most popular classifier at present. Furthermore, we suggest ProPhyle, a new indexing strategy based on a BWT-index, obtaining a much smaller and more informative index compared to Kraken. We provide a modified version of BWA that improves the BWT-index for a quick k-mer look-up