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arXiv 1507.07039q-bio.QMq-bio.MN
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基于消息传递模型的基因调控网络的高性能计算

High Performance Computing of Gene Regulatory Networks using a Message-Passing Model

Kimberly Glass, John Quackenbush, Jeremy Kepner

摘要:

基因调控网络重构是计算生物学中的一个基本问题。我们最近开发了一种称为PANDA(在网络之间传递属性以进行数据同化)的算法,该算法集成了多个源的组学数据并估计调控网络模型。这种方法最初是在C++编程语言中实现的,后来被应用于许多生物系统。在我们目前的研究中,我们开始扩展算法,以纳入更大和最多样化的数据集,重建包含越来越多元素的网络,并建立不仅是单一的网络模型,但网络集。为了实现这些“大数据”应用,提高PANDA实现的计算效率变得至关重要。在本文中,我们将展示如何重铸PANDA的相似性方程矩阵运算。这使我们能够使用MATLAB/Octave编程语言实现高度可读的算法版本。我们发现,由此产生的M代码更短(103相比,1128行),更容易修改的潜在的未来应用程序。新的实现也运行得更快,随着网络模型大小的增加,效率也会提高。比较C代码和M代码版本的PANDA的测试表明,对于我们在当前生物应用中发现的类似尺寸的网络,这种速度提高了20-80倍。

英文摘要:

Gene regulatory network reconstruction is a fundamental problem in computational biology. We recently developed an algorithm, called PANDA (Passing Attributes Between Networks for Data Assimilation), that integrates multiple sources of 'omics data and estimates regulatory network models. This approach was initially implemented in the C++ programming language and has since been applied to a number of biological systems. In our current research we are beginning to expand the algorithm to incorporate larger and most diverse data-sets, to reconstruct networks that contain increasing numbers of elements, and to build not only single network models, but sets of networks. In order to accomplish these "Big Data" applications, it has become critical that we increase the computational efficiency of the PANDA implementation. In this paper we show how to recast PANDA's similarity equations as matrix operations. This allows us to implement a highly readable version of the algorithm using the MATLAB/Octave programming language. We find that the resulting M-code much shorter (103 compared to 1128 lines) and more easily modifiable for potential future applications. The new implementation also runs significantly faster, with increasing efficiency as the network models increase in size. Tests comparing the C-code and M-code versions of PANDA demonstrate that this speed-up is on the order of 20-80 times faster for networks of similar dimensions to those we find in current biological applications.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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