400 research outputs found

    Fine-grained parallelization of fitness functions in bioinformatics optimization problems: gene selection for cancer classification and biclustering of gene expression data

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    ANTECEDENTES: las metaheurísticas se utilizan ampliamente para resolver grandes problemas de optimización combinatoria en bioinformática debido al enorme conjunto de posibles soluciones. Dos problemas representativos son la selección de genes para la clasificación del cáncer y el agrupamiento de los datos de expresión génica. En la mayoría de los casos, estas metaheurísticas, así como otras técnicas no lineales, aplican una función de adecuación a cada solución posible con una población de tamaño limitado, y ese paso involucra latencias más altas que otras partes de los algoritmos, lo cual es la razón por la cual el tiempo de ejecución de las aplicaciones dependerá principalmente del tiempo de ejecución de la función de aptitud. Además, es habitual encontrar formulaciones aritméticas de punto flotante para las funciones de fitness. De esta manera, una paralelización cuidadosa de estas funciones utilizando la tecnología de hardware reconfigurable acelerará el cálculo, especialmente si se aplican en paralelo a varias soluciones de la población. RESULTADOS: una paralelización de grano fino de dos funciones de aptitud de punto flotante de diferentes complejidades y características involucradas en el biclustering de los datos de expresión génica y la selección de genes para la clasificación del cáncer permitió obtener mayores aceleraciones y cómputos de potencia reducida con respecto a los microprocesadores habituales. CONCLUSIONES: Los resultados muestran mejores rendimientos utilizando tecnología de hardware reconfigurable en lugar de los microprocesadores habituales, en términos de tiempo de consumo y consumo de energía, no solo debido a la paralelización de las operaciones aritméticas, sino también gracias a la evaluación de aptitud concurrente para varios individuos de la población en La metaheurística. Esta es una buena base para crear soluciones aceleradas y de bajo consumo de energía para escenarios informáticos intensivos.BACKGROUND: Metaheuristics are widely used to solve large combinatorial optimization problems in bioinformatics because of the huge set of possible solutions. Two representative problems are gene selection for cancer classification and biclustering of gene expression data. In most cases, these metaheuristics, as well as other non-linear techniques, apply a fitness function to each possible solution with a size-limited population, and that step involves higher latencies than other parts of the algorithms, which is the reason why the execution time of the applications will mainly depend on the execution time of the fitness function. In addition, it is usual to find floating-point arithmetic formulations for the fitness functions. This way, a careful parallelization of these functions using the reconfigurable hardware technology will accelerate the computation, specially if they are applied in parallel to several solutions of the population. RESULTS: A fine-grained parallelization of two floating-point fitness functions of different complexities and features involved in biclustering of gene expression data and gene selection for cancer classification allowed for obtaining higher speedups and power-reduced computation with regard to usual microprocessors. CONCLUSIONS: The results show better performances using reconfigurable hardware technology instead of usual microprocessors, in computing time and power consumption terms, not only because of the parallelization of the arithmetic operations, but also thanks to the concurrent fitness evaluation for several individuals of the population in the metaheuristic. This is a good basis for building accelerated and low-energy solutions for intensive computing scenarios.• Ministerio de Economía y Competitividad y Fondos FEDER. Contrato TIN2012-30685 (I+D+i) • Gobierno de Extremadura. Ayuda GR15011 para grupos TIC015 • CONICYT/FONDECYT/REGULAR/1160455. Beca para Ricardo Soto Guzmán • CONICYT/FONDECYT/REGULAR/1140897. Beca para Broderick CrawfordpeerReviewe

    Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 1. Generalized Born

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    We present an implementation of generalized Born implicit solvent all-atom classical molecular dynamics (MD) within the AMBER program package that runs entirely on CUDA enabled NVIDIA graphics processing units (GPUs). We discuss the algorithms that are used to exploit the processing power of the GPUs and show the performance that can be achieved in comparison to simulations on conventional CPU clusters. The implementation supports three different precision models in which the contributions to the forces are calculated in single precision floating point arithmetic but accumulated in double precision (SPDP), or everything is computed in single precision (SPSP) or double precision (DPDP). In addition to performance, we have focused on understanding the implications of the different precision models on the outcome of implicit solvent MD simulations. We show results for a range of tests including the accuracy of single point force evaluations and energy conservation as well as structural properties pertainining to protein dynamics. The numerical noise due to rounding errors within the SPSP precision model is sufficiently large to lead to an accumulation of errors which can result in unphysical trajectories for long time scale simulations. We recommend the use of the mixed-precision SPDP model since the numerical results obtained are comparable with those of the full double precision DPDP model and the reference double precision CPU implementation but at significantly reduced computational cost. Our implementation provides performance for GB simulations on a single desktop that is on par with, and in some cases exceeds, that of traditional supercomputers

    Towards Lattice Quantum Chromodynamics on FPGA devices

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    In this paper we describe a single-node, double precision Field Programmable Gate Array (FPGA) implementation of the Conjugate Gradient algorithm in the context of Lattice Quantum Chromodynamics. As a benchmark of our proposal we invert numerically the Dirac-Wilson operator on a 4-dimensional grid on three Xilinx hardware solutions: Zynq Ultrascale+ evaluation board, the Alveo U250 accelerator and the largest device available on the market, the VU13P device. In our implementation we separate software/hardware parts in such a way that the entire multiplication by the Dirac operator is performed in hardware, and the rest of the algorithm runs on the host. We find out that the FPGA implementation can offer a performance comparable with that obtained using current CPU or Intel's many core Xeon Phi accelerators. A possible multiple node FPGA-based system is discussed and we argue that power-efficient High Performance Computing (HPC) systems can be implemented using FPGA devices only.Comment: 17 pages, 4 figure

    Parallelization of Markov chain generation and its application to the multicanonical method

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    We develop a simple algorithm to parallelize generation processes of Markov chains. In this algorithm, multiple Markov chains are generated in parallel and jointed together to make a longer Markov chain. The joints between the constituent Markov chains are processed using the detailed balance. We apply the parallelization algorithm to multicanonical calculations of the two-dimensional Ising model and demonstrate accurate estimation of multicanonical weights.Comment: 15 pages, 5 figures, uses elsart.cl

    MR-CUDASW - GPU accelerated Smith-Waterman algorithm for medium-length (meta)genomic data

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    The idea of using a graphics processing unit (GPU) for more than simply graphic output purposes has been around for quite some time in scientific communities. However, it is only recently that its benefits for a range of bioinformatics and life sciences compute-intensive tasks has been recognized. This thesis investigates the possibility of improving the performance of the overlap determination stage of an Overlap Layout Consensus (OLC)-based assembler by using a GPU-based implementation of the Smith-Waterman algorithm. In this thesis an existing GPU-accelerated sequence alignment algorithm is adapted and expanded to reduce its completion time. A number of improvements and changes are made to the original software. Workload distribution, query profile construction, and thread scheduling techniques implemented by the original program are replaced by custom methods specifically designed to handle medium-length reads. Accordingly, this algorithm is the first highly parallel solution that has been specifically optimized to process medium-length nucleotide reads (DNA/RNA) from modern sequencing machines (i.e. Ion Torrent). Results show that the software reaches up to 82 GCUPS (Giga Cell Updates Per Second) on a single-GPU graphic card running on a commodity desktop hardware. As a result it is the fastest GPU-based implemen- tation of the Smith-Waterman algorithm tailored for processing medium-length nucleotide reads. Despite being designed for performing the Smith-Waterman algorithm on medium-length nucleotide sequences, this program also presents great potential for improving heterogeneous computing with CUDA-enabled GPUs in general and is expected to make contributions to other research problems that require sensitive pairwise alignment to be applied to a large number of reads. Our results show that it is possible to improve the performance of bioinformatics algorithms by taking full advantage of the compute resources of the underlying commodity hardware and further, these results are especially encouraging since GPU performance grows faster than multi-core CPUs

    Serial-data computation in VLSI

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    Core Failure Mitigation in Integer Sum-of-Product Computations on Cloud Computing Systems

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    The decreasing mean-time-to-failure estimates in cloud computing systems indicate that multimedia applications running on such environments should be able to mitigate an increasing number of core failures at runtime. We propose a new roll-forward failure-mitigation approach for integer sumof-product computations, with emphasis on generic matrix multiplication (GEMM)and convolution/crosscorrelation (CONV) routines. Our approach is based on the production of redundant results within the numerical representation of the outputs via the use of numerical packing.This differs fromall existing roll-forward solutions that require a separate set of checksum (or duplicate) results. Our proposal imposes 37.5% reduction in the maximum output bitwidth supported in comparison to integer sum-ofproduct realizations performed on 32-bit integer representations which is comparable to the bitwidth requirement of checksummethods for multiple core failure mitigation. Experiments with state-of-the-art GEMM and CONV routines running on a c4.8xlarge compute-optimized instance of amazon web services elastic compute cloud (AWS EC2) demonstrate that the proposed approach is able to mitigate up to one quadcore failure while achieving processing throughput that is: 1) comparable to that of the conventional, failure-intolerant, integer GEMM and CONV routines, 2) substantially superior to that of the equivalent roll-forward failure-mitigation method based on checksum streams. Furthermore, when used within an image retrieval framework deployed over a cluster of AWS EC2 spot (i.e., low-cost albeit terminatable) instances, our proposal leads to: 1) 16%-23% cost reduction against the equivalent checksum-based method and 2) more than 70% cost reduction against conventional failure-intolerant processing on AWS EC2 on-demand (i.e., highercost albeit guaranteed) instances
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