Motivation: Structured RNAs can be hard to search for as they often are not well conserved in their primary structure and are local in their genomic or transcriptomic context. Thus, the need for tools which in particular can make local structural alignments of RNAs is only increasing.Results: To meet the demand for both large-scale screens and hands on analysis through web servers, we present a new multithreaded version of Foldalign. We substantially improve execution time while maintaining all previous functionalities, including carrying out local structural alignments of sequences with low similarity. Furthermore, the improvements allow for comparing longer RNAs and increasing the sequence length. For example, lengths in the range 2000–6000 nucleotides improve execution up to a factor of five.Availability and implementation: The Foldalign software and the web server are available at http://rth.dk/resources/foldalignContact: gorodkin@rth.dkSupplementary information: Supplementary data are available at Bioinformatics online.
Abstract-This paper proposes and evaluates CUDAlign 4.0, a parallel strategy to obtain the optimal alignment of huge DNA sequences in multi-GPU platforms, using the exact Smith-Waterman (SW) algorithm. In the first phase of CUDAlign 4.0, a huge Dynamic Programming (DP) matrix is computed by multiple GPUs, which asynchronously communicate border elements to the right neighbor in order to find the optimal score. After that, the traceback phase of SW is executed. The efficient parallelization of the traceback phase is very challenging because of the high amount of data dependency, which particularly impacts the performance and limits the application scalability. In order to obtain a multi-GPU highly parallel traceback phase, we propose and evaluate a new parallel traceback algorithm called Incremental Speculative Traceback (IST), which pipelines the traceback phase, speculating incrementally over the values calculated so far, producing results in advance. With CUDAlign 4.0, we were able to calculate SW matrices with up to 60 Peta cells, obtaining the optimal local alignments of all Human and Chimpanzee homologous chromosomes, whose sizes range from 26 Millions of Base Pairs (MBP) up to 249 MBP. As far as we know, this is the first time such comparison was made with the SW exact method. We also show that the IST algorithm is able to reduce the traceback time from 2.15⇥ up to 21.03⇥, when compared with the baseline traceback algorithm. The human⇥chimpanzee chromosome 5 comparison (180 MBP⇥183 MBP) attained 10,370.00 GCUPS (Billions of Cells Updated per Second) using 384 GPUs, with a speculation hit ratio of 98.2%.
MotivationSensitivity analysis and parameter tuning are important processes in large-scale image analysis. They are very costly because the image analysis workflows are required to be executed several times to systematically correlate output variations with parameter changes or to tune parameters. An integrated solution with minimum user interaction that uses effective methodologies and high performance computing is required to scale these studies to large imaging datasets and expensive analysis workflows.ResultsThe experiments with two segmentation workflows show that the proposed approach can (i) quickly identify and prune parameters that are non-influential; (ii) search a small fraction (about 100 points) of the parameter search space with billions to trillions of points and improve the quality of segmentation results (Dice and Jaccard metrics) by as much as 1.42× compared to the results from the default parameters; (iii) attain good scalability on a high performance cluster with several effective optimizations.ConclusionsOur work demonstrates the feasibility of performing sensitivity analyses, parameter studies and auto-tuning with large datasets. The proposed framework can enable the quantification of error estimations and output variations in image segmentation pipelines.Availability and ImplementationSource code: https://github.com/SBU-BMI/region-templates/.Supplementary information Supplementary data are available at Bioinformatics online.
Many bioinformatics applications, such as the optimal pairwise biological sequence comparison, demand a great quantity of computing resource, thus are excellent candidates to run in high-performance computing (HPC) platforms. In the last two decades, a large number of HPC-based solutions were proposed for this problem that run in different platforms, targeting different types of comparisons with slightly different algorithms and making the comparative analysis of these approaches very difficult. This article proposes a classification of parallel optimal pairwise sequence comparison solutions, in order to highlight their main characteristics in a unified way. We then discuss several HPC-based solutions, including clusters of multicores and accelerators such as Cell Broadband Engines (CellBEs), Field-Programmable Gate Arrays (FPGAs), Graphics Processing Units (GPUs) and Intel Xeon Phi, as well as hybrid solutions, which combine two or more platforms, providing the actual landscape of the main proposals in this area. Finally, we present open questions and perspectives in this research field.
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