Estimation of parameters in differential equation models can be achieved by applying learning algorithms to quantitative time-series data. However, sometimes it is only possible to measure qualitative changes of a system in response to a controlled condition. In dynamical systems theory, such change points are known as bifurcations and lie on a function of the controlled condition called the bifurcation diagram. In this work, we propose a gradient-based semi-supervised approach for inferring the parameters of differential equations that produce a user-specified bifurcation diagram. The cost function contains a supervised error term that is minimal when the model bifurcations match the specified targets and an unsupervised bifurcation measure which has gradients that push optimisers towards bifurcating parameter regimes. The gradients can be computed without the need to differentiate through the operations of the solver that was used to compute the diagram. We demonstrate parameter inference with minimal models which explore the space of saddle-node and pitchfork diagrams and the genetic toggle switch from synthetic biology. Furthermore, the cost landscape allows us to organise models in terms of topological and geometric equivalence.
翻译:通过对定量时间序列数据应用学习算法,可以对差异方程模型中的参数进行估计。但是,有时只能根据受控条件衡量系统的质量变化。在动态系统理论中,这种变化点被称为双形,并位于控制条件的函数上,即双形图。在这项工作中,我们提议一种基于梯度的半监督方法,用以推断产生用户指定的双形图的差别方程参数。成本函数包含一个受监督的错误术语,当模型的双形与指定目标匹配时,该术语是最小的,并且是一个不受监督的双形测量尺度,该参数使梯度能够将选法推向双形参数系统。在计算梯度时,不必通过用于计算图的求解器的操作加以区分。我们用最小模型来显示参数的推断力,以探索马鞍-节和阵形图的空间,以及从合成生物学的遗传图形转换为最小值。此外,成本地貌景观使我们能够以表和测等同的术语来组织模型。