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A Rapid Bootstrap Algorithm for the RAxML Web Servers

机译:RAxML Web服务器的快速引导算法

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摘要

Despite recent advances achieved by application of high-performance computing methods and novel algorithmic techniques to maximum likelihood (ML)-based inference programs, the major computational bottleneck still consists in the computation of bootstrap support values. Conducting a probably insufficient number of 100 bootstrap (BS) analyses with current ML programs on large datasets—either with respect to the number of taxa or base pairs—can easily require a month of run time. Therefore, we have developed, implemented, and thoroughly tested rapid bootstrap heuristics in RAxML (Randomized Axelerated Maximum Likelihood) that are more than an order of magnitude faster than current algorithms. These new heuristics can contribute to resolving the computational bottleneck and improve current methodology in phylogenetic analyses. Computational experiments to assess the performance and relative accuracy of these heuristics were conducted on 22 diverse DNA and AA (amino acid), single gene as well as multigene, real-world alignments containing 125 up to 7764 sequences. The standard BS (SBS) and rapid BS (RBS) values drawn on the best-scoring ML tree are highly correlated and show almost identical average support values. The weighted RF (Robinson-Foulds) distance between SBS- and RBS-based consensus trees was smaller than 6% in all cases (average 4%). More importantly, RBS inferences are between 8 and 20 times faster (average 14.73) than SBS analyses with RAxML and between 18 and 495 times faster than BS analyses with competing programs, such as PHYML or GARLI. Moreover, this performance improvement increases with alignment size. Finally, we have set up two freely accessible Web servers for this significantly improved version of RAxML that provide access to the 200-CPU cluster of the Vital-IT unit at the Swiss Institute of Bioinformatics and the 128-CPU cluster of the CIPRES project at the San Diego Supercomputer Center. These Web servers offer the possibility to conduct large-scale phylogenetic inferences to a large part of the community that does not have access to, or the expertise to use, high-performance computing resources
机译:尽管通过将高性能计算方法和新颖的算法技术应用于基于最大似然(ML)的推理程序取得了最新进展,但主要的计算瓶颈仍然在于引导支持值的计算。使用大数据集上的当前ML程序进行数量可能不足够的100个引导程序(BS)分析(相对于分类单元或碱基对的数量)很容易需要一个月的运行时间。因此,我们已经开发,实施和彻底测试了RAxML(随机化的已删除最大似然)中的快速引导启发法,其速度比当前算法快了一个数量级。这些新的启发式方法可有助于解决计算瓶颈,并改善当前的系统发育分析方法。对22种不同的DNA和AA(氨基酸),单基因以及多基因的真实世界比对进行了计算实验,以评估这些启发式方法的性能和相对准确性,其中包含125个多达7764个序列。得分最高的ML树上绘制的标准BS(SBS)和快速BS(RBS)值高度相关,并显示几乎相同的平均支持值。在所有情况下,基于SBS和RBS的共识树之间的加权RF(Robinson-Foulds)距离均小于6%(平均4%)。更重要的是,RBS推理比使用RAxML进行SBS分析要快8到20倍(平均14.73),比使用竞争程序(例如PHYML或GARLI)进行BS分析要快18到495倍。而且,这种性能改进随对准尺寸而增加。最后,我们为该显着改进的RAxML版本设置了两个可免费访问的Web服务器,它们可以访问Swiss Bioinformatics的Vital-IT部门的200 CPU集群和CIPRES项目的128 CPU集群。圣地亚哥超级计算机中心。这些Web服务器提供了对无法访问高性能计算资源或无法使用高性能计算资源的社区中很大一部分社区进行大规模系统发生推断的可能性。

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