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Phylogenetic Stochastic Mapping Without Matrix Exponentiation

机译:没有矩阵幂的系统发育随机映射

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摘要

>Phylogenetic stochastic mapping is a method for reconstructing the history of trait changes on a phylogenetic tree relating species/organism carrying the trait. State-of-the-art methods assume that the trait evolves according to a continuous-time Markov chain (CTMC) and works well for small state spaces. The computations slow down considerably for larger state spaces (e.g., space of codons), because current methodology relies on exponentiating CTMC infinitesimal rate matrices—an operation whose computational complexity grows as the size of the CTMC state space cubed. In this work, we introduce a new approach, based on a CTMC technique called uniformization, which does not use matrix exponentiation for phylogenetic stochastic mapping. Our method is based on a new Markov chain Monte Carlo (MCMC) algorithm that targets the distribution of trait histories conditional on the trait data observed at the tips of the tree. The computational complexity of our MCMC method grows as the size of the CTMC state space squared. Moreover, in contrast to competing matrix exponentiation methods, if the rate matrix is sparse, we can leverage this sparsity and increase the computational efficiency of our algorithm further. Using simulated data, we illustrate advantages of our MCMC algorithm and investigate how large the state space needs to be for our method to outperform matrix exponentiation approaches. We show that even on the moderately large state space of codons our MCMC method can be significantly faster than currently used matrix exponentiation methods.
机译:>系统发育随机作图是一种在与具有该特征的物种/生物相关的系统树上重建特征变化历史的方法。最先进的方法假定特征根据连续时间马尔可夫链(CTMC)进化,并且在较小的状态空间中效果很好。对于较大的状态空间(例如,密码子空间),计算会大大减慢速度,因为当前的方法依赖于对CTMC无穷小速率矩阵求幂,该运算的计算复杂度随着CTMC状态空间的立方化而增加。在这项工作中,我们介绍了一种基于CTMC技术的新方法,称为均匀化,该方法不使用矩阵幂运算进行系统发生随机映射。我们的方法基于一种新的马尔可夫链蒙特卡洛(MCMC)算法,该算法针对特征历史的分布,条件是根据在树梢处观察到的特征数据来进行的。我们的MCMC方法的计算复杂度随着CTMC状态空间大小的平方而增加。此外,与竞争矩阵求幂方法相比,如果速率矩阵稀疏,则可以利用这种稀疏性并进一步提高算法的计算效率。使用模拟数据,我们说明了MCMC算法的优势,并研究了要使方法胜过矩阵求幂方法,状态空间需要多大。结果表明,即使在密码子状态空间较大的情况下,我们的MCMC方法也可以比目前使用的矩阵指数方法更快。

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