Punzalan Florencio Rusty, Yamashita Yoshiharu, Soejima Naoki, Kawabata Masanari, Shimayoshi Takao, Kuwabara Hiroaki, Kunieda Yoshitoshi, Amano Akira
Graduate School of Life Sciences, Ritsumeikan University, Shiga, Japan.
Source Code Biol Med. 2012 Oct 19;7(1):11. doi: 10.1186/1751-0473-7-11.
: Models written in description languages such as CellML are becoming a popular solution to the handling of complex cellular physiological models in biological function simulations. However, in order to fully simulate a model, boundary conditions and ordinary differential equation (ODE) solving schemes have to be combined with it. Though boundary conditions can be described in CellML, it is difficult to explicitly specify ODE solving schemes using existing tools. In this study, we define an ODE solving scheme description language-based on XML and propose a code generation system for biological function simulations. In the proposed system, biological simulation programs using various ODE solving schemes can be easily generated. We designed a two-stage approach where the system generates the equation set associating the physiological model variable values at a certain time t with values at t + Δt in the first stage. The second stage generates the simulation code for the model. This approach enables the flexible construction of code generation modules that can support complex sets of formulas. We evaluate the relationship between models and their calculation accuracies by simulating complex biological models using various ODE solving schemes. Using the FHN model simulation, results showed good qualitative and quantitative correspondence with the theoretical predictions. Results for the Luo-Rudy 1991 model showed that only first order precision was achieved. In addition, running the generated code in parallel on a GPU made it possible to speed up the calculation time by a factor of 50. The CellML Compiler source code is available for download at http://sourceforge.net/projects/cellmlcompiler.
用诸如CellML等描述语言编写的模型正成为生物功能模拟中处理复杂细胞生理模型的一种流行解决方案。然而,为了完全模拟一个模型,必须将边界条件和常微分方程(ODE)求解方案与之结合。虽然边界条件可以在CellML中描述,但使用现有工具很难明确指定ODE求解方案。在本研究中,我们定义了一种基于XML的ODE求解方案描述语言,并提出了一种用于生物功能模拟的代码生成系统。在所提出的系统中,可以轻松生成使用各种ODE求解方案的生物模拟程序。我们设计了一种两阶段方法,其中系统在第一阶段生成将特定时间t的生理模型变量值与t + Δt时的值相关联的方程组。第二阶段为模型生成模拟代码。这种方法能够灵活构建支持复杂公式集的代码生成模块。我们通过使用各种ODE求解方案模拟复杂生物模型来评估模型与其计算精度之间的关系。使用FHN模型模拟,结果与理论预测显示出良好的定性和定量对应关系。Luo-Rudy 1991模型的结果表明仅达到了一阶精度。此外,在GPU上并行运行生成的代码可以将计算时间加快50倍。CellML编译器的源代码可从http://sourceforge.net/projects/cellmlcompiler下载。