Leander Jacob, Lundh Torbjörn, Jirstrand Mats
Fraunhofer-Chalmers Centre, Chalmers Science Park, SE-412 88 Gothenburg, Sweden; Mathematical Sciences, Chalmers University of Technology and University of Gothenburg, Gothenburg, Sweden.
Mathematical Sciences, Chalmers University of Technology and University of Gothenburg, Gothenburg, Sweden.
Math Biosci. 2014 May;251:54-62. doi: 10.1016/j.mbs.2014.03.001. Epub 2014 Mar 12.
In this paper we consider the problem of estimating parameters in ordinary differential equations given discrete time experimental data. The impact of going from an ordinary to a stochastic differential equation setting is investigated as a tool to overcome the problem of local minima in the objective function. Using two different models, it is demonstrated that by allowing noise in the underlying model itself, the objective functions to be minimized in the parameter estimation procedures are regularized in the sense that the number of local minima is reduced and better convergence is achieved. The advantage of using stochastic differential equations is that the actual states in the model are predicted from data and this will allow the prediction to stay close to data even when the parameters in the model is incorrect. The extended Kalman filter is used as a state estimator and sensitivity equations are provided to give an accurate calculation of the gradient of the objective function. The method is illustrated using in silico data from the FitzHugh-Nagumo model for excitable media and the Lotka-Volterra predator-prey system. The proposed method performs well on the models considered, and is able to regularize the objective function in both models. This leads to parameter estimation problems with fewer local minima which can be solved by efficient gradient-based methods.
在本文中,我们考虑根据离散时间实验数据估计常微分方程中参数的问题。研究了从常微分方程设置转变为随机微分方程设置的影响,将其作为克服目标函数中局部极小值问题的一种工具。使用两个不同的模型表明,通过在基础模型本身中引入噪声,参数估计过程中要最小化的目标函数得到了正则化,即局部极小值的数量减少且实现了更好的收敛。使用随机微分方程的优势在于,模型中的实际状态是根据数据预测的,这使得即使模型参数不正确,预测结果也能贴近数据。扩展卡尔曼滤波器用作状态估计器,并提供了灵敏度方程以精确计算目标函数的梯度。使用来自用于可兴奋介质的菲茨休 - 纳古莫模型和洛特卡 - 沃尔泰拉捕食者 - 猎物系统的计算机模拟数据对该方法进行了说明。所提出的方法在所考虑的模型上表现良好,并且能够对两个模型中的目标函数进行正则化。这导致局部极小值较少的参数估计问题,可以通过基于梯度的有效方法来解决。