论文标题
普通微分方程模型的变分贝叶斯方法
Variational Bayes method for ordinary differential equation models
论文作者
论文摘要
普通微分方程(ODE)是在许多应用领域(例如气候学,生物信息学和化学工程)中使用其直观吸引建模的数学模型。尽管ODE在建模方面具有广泛的用法,但经常缺乏它们的分析解决方案,从数据估算ode参数的挑战,尤其是当模型具有大量变量和参数时。本文提出了一种贝叶斯ode参数估计算法,即使对于具有许多参数的模型,该算法也快速准确。所提出的方法将基于数字求解器方程的状态空间模型近似于ode模型。它通过避免在可能性上的完整数值解决方案的计算来进行快速估计。后验是通过变异贝叶斯法获得的,更具体地说,是近似Riemannian结合梯度方法(Honkela等人,2010年),该方法避免了基于Markov Chain Monte Carlo(MCMC)的采样。在仿真研究中,我们将提出方法的速度和性能与现有方法进行了比较。所提出的方法在具有强稳定性和最快计算的真实ODE曲线的再现中表现出了最佳性能,尤其是在具有30多个参数的大型模型中。作为现实世界数据应用程序,将带有时变参数的SIR模型拟合到COVID-19数据。利用拟议的算法,每个国家都充分估计了50多个参数。
Ordinary differential equations (ODEs) are a mathematical model used in many application areas such as climatology, bioinformatics, and chemical engineering with its intuitive appeal to modeling. Despite ODE's wide usage in modeling, the frequent absence of their analytic solutions makes it challenging to estimate ODE parameters from the data, especially when the model has lots of variables and parameters. This paper proposes a Bayesian ODE parameter estimating algorithm which is fast and accurate even for models with many parameters. The proposed method approximates an ODE model with a state-space model based on equations of a numeric solver. It allows fast estimation by avoiding computations of a complete numerical solution in the likelihood. The posterior is obtained by a variational Bayes method, more specifically, the approximate Riemannian conjugate gradient method (Honkela et al. 2010), which avoids samplings based on Markov chain Monte Carlo (MCMC). In simulation studies, we compared the speed and performance of the proposed method with existing methods. The proposed method showed the best performance in the reproduction of the true ODE curve with strong stability as well as the fastest computation, especially in a large model with more than 30 parameters. As a real-world data application, a SIR model with time-varying parameters was fitted to the COVID-19 data. Taking advantage of the proposed algorithm, more than 50 parameters were adequately estimated for each country.