ESA:一种用于神威太湖之光生物数据库检索的高效序列比对算法

IF 2 4区 计算机科学 Q2 COMPUTER SCIENCE, THEORY & METHODS Parallel Computing Pub Date : 2023-09-01 DOI:10.1016/j.parco.2023.103043
Hao Zhang , Zhiyi Huang , Yawen Chen , Jianguo Liang , Xiran Gao
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引用次数: 0

摘要

在计算生物学中,生物数据库搜索一直扮演着非常重要的角色。自2019冠状病毒病暴发以来,它为确定病毒的共同特征以及开发疫苗和药物提供了重大帮助。序列比对是一种寻找基因/蛋白质序列之间相似性、同源性等信息的方法,是数据库检索中常用的工具。随着生物数据库的爆炸式增长,搜索过程变得非常耗时。然而,现有的并行序列对齐算法由于缓存等资源利用率低、负载不平衡、通信开销大等性能问题,无法实现高效的数据库搜索。本文提出了一种高效的“神威太湖之光”序列比对算法(ESA),用于生物数据库检索。ESA采用了一种结合局部和全局比对的新型混合比对算法,比其他序列比对算法具有更高的精度。此外,ESA还进行了一些优化,包括缓存感知序列对齐、容量感知负载平衡和带宽感知数据传输。它们是在世界第六快的超级计算机神威太湖之光采用的异构处理器SW26010中实现的。利用“神威太湖之光”等平台上的Swiss-Prot数据库对ESA的实施情况进行了评估。实验结果表明,ESA在神威太湖之光单核心组(65核)上的加速速度为34.5。用神威太湖之光1 ~ 1024个核心组测试ESA的强弱可扩展性。结果表明,ESA具有线性弱可扩展性和令人印象深刻的强可扩展性。为了获得较强的可扩展性,ESA使用1024个核心组比单个核心组的速度提升338.04。我们还表明,我们提出的优化也适用于GPU、Intel多核处理器和异构计算平台。
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ESA: An efficient sequence alignment algorithm for biological database search on Sunway TaihuLight

In computational biology, biological database search has been playing a very important role. Since the COVID-19 outbreak, it has provided significant help in identifying common characteristics of viruses and developing vaccines and drugs. Sequence alignment, a method finding similarity, homology and other information between gene/protein sequences, is the usual tool in the database search. With the explosive growth of biological databases, the search process has become extremely time-consuming. However, existing parallel sequence alignment algorithms cannot deliver efficient database search due to low utilization of the resources such as cache memory and performance issues such as load imbalance and high communication overhead. In this paper, we propose an efficient sequence alignment algorithm on Sunway TaihuLight, called ESA, for biological database search. ESA adopts a novel hybrid alignment algorithm combining local and global alignments, which has higher accuracy than other sequence alignment algorithms. Further, ESA has several optimizations including cache-aware sequence alignment, capacity-aware load balancing and bandwidth-aware data transfer. They are implemented in a heterogeneous processor SW26010 adopted in the world’s 6th fastest supercomputer, Sunway TaihuLight. The implementation of ESA is evaluated with the Swiss-Prot database on Sunway TaihuLight and other platforms. Our experimental results show that ESA has a speedup of 34.5 on a single core group (with 65 cores) of Sunway TaihuLight. The strong and weak scalabilities of ESA are tested with 1 to 1024 core groups of Sunway TaihuLight. The results show that ESA has linear weak scalability and very impressive strong scalability. For strong scalability, ESA achieves a speedup of 338.04 with 1024 core groups compared with a single core group. We also show that our proposed optimizations are also applicable to GPU, Intel multicore processors, and heterogeneous computing platforms.

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来源期刊
Parallel Computing
Parallel Computing 工程技术-计算机:理论方法
CiteScore
3.50
自引率
7.10%
发文量
49
审稿时长
4.5 months
期刊介绍: Parallel Computing is an international journal presenting the practical use of parallel computer systems, including high performance architecture, system software, programming systems and tools, and applications. Within this context the journal covers all aspects of high-end parallel computing from single homogeneous or heterogenous computing nodes to large-scale multi-node systems. Parallel Computing features original research work and review articles as well as novel or illustrative accounts of application experience with (and techniques for) the use of parallel computers. We also welcome studies reproducing prior publications that either confirm or disprove prior published results. Particular technical areas of interest include, but are not limited to: -System software for parallel computer systems including programming languages (new languages as well as compilation techniques), operating systems (including middleware), and resource management (scheduling and load-balancing). -Enabling software including debuggers, performance tools, and system and numeric libraries. -General hardware (architecture) concepts, new technologies enabling the realization of such new concepts, and details of commercially available systems -Software engineering and productivity as it relates to parallel computing -Applications (including scientific computing, deep learning, machine learning) or tool case studies demonstrating novel ways to achieve parallelism -Performance measurement results on state-of-the-art systems -Approaches to effectively utilize large-scale parallel computing including new algorithms or algorithm analysis with demonstrated relevance to real applications using existing or next generation parallel computer architectures. -Parallel I/O systems both hardware and software -Networking technology for support of high-speed computing demonstrating the impact of high-speed computation on parallel applications
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