Proceedings of the 8th Python in Science conference

International audienceThe SciPy conference provides a unique opportunity to learn and affect what is happening in the realm of scientific computing with Python. Attendees have the opportunity to review the available tools and how they apply to specific problems. By providing a forum for developers to share their Python expertise with the wider commercial, academic, and research communities, this conference fosters collaboration and facilitates the sharing of software components, techniques and a vision for high level language use in scientific computing

Parallelization of dynamic programming recurrences in computational biology

The rapid growth of biosequence databases over the last decade has led to a performance bottleneck in the applications analyzing them. In particular, over the last five years DNA sequencing capacity of next-generation sequencers has been doubling every six months as costs have plummeted. The data produced by these sequencers is overwhelming traditional compute systems. We believe that in the future compute performance, not sequencing, will become the bottleneck in advancing genome science. In this work, we investigate novel computing platforms to accelerate dynamic programming algorithms, which are popular in bioinformatics workloads. We study algorithm-specific hardware architectures that exploit fine-grained parallelism in dynamic programming kernels using field-programmable gate arrays: FPGAs). We advocate a high-level synthesis approach, using the recurrence equation abstraction to represent dynamic programming and polyhedral analysis to exploit parallelism. We suggest a novel technique within the polyhedral model to optimize for throughput by pipelining independent computations on an array. This design technique improves on the state of the art, which builds latency-optimal arrays. We also suggest a method to dynamically switch between a family of designs using FPGA reconfiguration to achieve a significant performance boost. We have used polyhedral methods to parallelize the Nussinov RNA folding algorithm to build a family of accelerators that can trade resources for parallelism and are between 15-130x faster than a modern dual core CPU implementation. A Zuker RNA folding accelerator we built on a single workstation with four Xilinx Virtex 4 FPGAs outperforms 198 3 GHz Intel Core 2 Duo processors. Furthermore, our design running on a single FPGA is an order of magnitude faster than competing implementations on similar-generation FPGAs and graphics processors. Our work is a step toward the goal of automated synthesis of hardware accelerators for dynamic programming algorithms

GLASS: Generator for Large Scale Structure

We present GLASS, the Generator for Large Scale Structure, a new code for the simulation of galaxy surveys for cosmology, which iteratively builds a light cone with matter, galaxies, and weak gravitational lensing signals as a sequence of nested shells. This allows us to create deep and realistic simulations of galaxy surveys at high angular resolution on standard computer hardware and with low resource consumption. GLASS also introduces a new technique to generate transformations of Gaussian random fields (including lognormal) to essentially arbitrary precision, an iterative line-of-sight integration over matter shells to obtain weak lensing fields, and flexible modelling of the galaxies sector. We demonstrate that GLASS readily produces simulated data sets with per cent-level accurate two-point statistics of galaxy clustering and weak lensing, thus enabling simulation-based validation and inference that is limited only by our current knowledge of the input matter and galaxy properties.Comment: 23 pages, 15 figures; v2 accepted by OJAp with minor changes; code available at https://github.com/glass-dev/glas

A Framework for Unifying Reordering Transformations

We present a framework for unifying iteration reordering transformations such as loop interchange, loop distribution, skewing, tiling, index set splitting and statement reordering. The framework is based on the idea that a transformation can be represented as a schedule that maps the original iteration space to a new iteration space. The framework is designed to provide a uniform way to represent and reason about transformations. As part of the framework, we provide algorithms to assist in the building and use of schedules. In particular, we provide algorithms to test the legality of schedules, to align schedules and to generate optimized code for schedules. (Also cross-referenced as UMIACS-TR-93-134

Computational methods for single cell RNA and genome assembly resolution using genetic variation

Genetic variation and natural selection have driven the evolutionary history on this planet and are responsible for creating us and all other life as we know it. Over the past several decades, the genomic revolution has allowed us to assess population variation across humans and other species and use that to link genotypes with phenotypes and infer evolutionary histories. In this thesis, I explore computational methods for using genetic variation to demultiplex and disambiguate complex data. In single cell RNAseq, problems of batch effects, doublets, and ambient RNA are each sources of noise that impede our ability to infer the functional states of cells and compare them between experiments. One new popular new experimental design promising to solve each of these while also reducing experimental costs is mixturing multiple individuals' cells into a single experiment. In chapter 2, I present a method for clustering cells by genotype, calling doublets, and using the cross-genotype signal in singletons to estimate and remove ambient RNA. I compare this methods to other existing methods including one that requires \textit{a priori} information about the genotypes, and two which do not. I find that my method outperforms each of these methods across a wide range of data parameters and sample types. In genome assembly, the recent higher throughput and lower cost of long read sequencing has revolutionized our ability to create reference quality genomes and has revitalized the assembly community. Now, massive efforts are taking place in the Darwin Tree of Life project and the Earth Biogenome project to create reference genomes for all multicelular eukaryotic life. This will create a scientific resource for the next generation of biological science, will serve as a conservation of data that could otherwise be lost in this time of mass extinction, and will allow for a much more broad understanding of evolution and the evolutionary history of life on Earth. While much progress has been made in data quality and assembly algorithms, some problems still exist. Until recently, the DNA input requirements for long read sequencing technologies made it impossible to sequence single individuals of these species with long reads. Also, high heterozygosity makes assembly more difficult due to the inherent ambiguity between heterozygous sequence versus paralogous sequence when confronted with inexact homology. One solution to the DNA input requirements would be to pool individuals, but this only increases the heterozygosity of the sample and reduces assembly quality. In chapter 3, we present the first high quality assembly of a single mosquito using new library preparation methods with reduced DNA requirements. This reduces the number of haplotypes to two, improving the assembly quality. In chapter 4, we further address the problems brought on by heterozygosity in assembly. I present a suite of tools that use the phasing consistency of multiple heterozygous sequences as a signal for physical linkage, thus using genetic variation to our advantage rather than as a challenge to overcome. This tool creates phased, linked assemblies and phasing aware scaffolding. Further, I provide a tool for phasing aware scaffolding on existing assemblies. This includes a novel haplotype phasing algorithm with some unique beneficial properties. It is robust to non-heterozygous variants as input and can detect and correct those genotypes. And it naturally extends to polyploid genomes.Wellcome Trus

Proceedings of the 7th Sound and Music Computing Conference

Proceedings of the SMC2010 - 7th Sound and Music Computing Conference, July 21st - July 24th 2010

3rd Many-core Applications Research Community (MARC) Symposium. (KIT Scientific Reports ; 7598)

This manuscript includes recent scientific work regarding the Intel Single Chip Cloud computer and describes approaches for novel approaches for programming and run-time organization