Numerical investigation of structural minimality for structures of uncontrolled linear switching systems with Maple

J. Whyte
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Abstract

One path to understanding a physical system is to represent it by a model structure (collection of related models). Suppose our system is not subject to external influences, and depends on unobservable state variables (x), and observables (y). Then, a suitable uncontrolled, state-space model structure S is defined by relationships between x and y, involving parameters θ ∈ Θ. That is, each parameter vector in parameter space Θ is associated with a particular model in S. Before using S for prediction, we require system observations for parameter estimation. This process aims to determine θ values for which predictions “best” approximate the data (according to some objective function). The result is some number of estimates of the true parameter vector, θ*. Multiple parameter estimates are problematic when these cause S to produce dissimilar predictions beyond our data's range. This can render us unable to confidently make predictions, resulting in an uninformative study. Non-uniqueness of parameter estimates follows when S lacks the property of structural global identifiability (SGI). Fortunately, we may test S for SGI prior to data collection. The absence of SGI encourages us to rethink our experimental design or model structure. Before testing S for SGI we should check that it is structurally minimal. If so, we cannot replace S by a structure of fewer state variables which produces the same output. Most testing methodology is applicable to structures which employ the same equations for all time. These methods are not appropriate when, for example, a process has an abrupt change in its dynamics. For such a situation, a structure of linear switching systems (LSSs) may be suitable. Any system in the structure has a collection of linear time-invariant state-space systems, and a switching function which determines the system in effect at each instant. As such, we face a novel challenge in testing an LSS structure for SGI. We will consider the case of an uncontrolled LSS structure of one switching event (a ULSS-1 structure). In this setting, we may approach the structural minimality problem via the Laplace transform of the output function on each time interval. Each rational function yields conditions for pole-zero cancellation. If these conditions are not satisfied for almost all θ ∈ Θ, then S is structurally minimal. Analytical approaches can be quite laborious. However, we may expect a numerical approach to provide useful insights quickly. For example, if pole-zero cancellation occurs for almost all of a sufficiently large number of parameter values sampled from Θ, then structural minimality is possible. This result may encourage us to prove the existence of structural minimality. We shall use Maple 2020-2 to conduct a numerical investigation of structural minimality for a test case ULSS-1 structure applicable to flow-cell biosensor experiments used to monitor biochemical interactions, which include the popular Biacore-branded units.
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非控制线性开关系统结构极小性的数值研究
理解物理系统的一个途径是用模型结构(相关模型的集合)来表示它。假设我们的系统不受外界影响,依赖于不可观测状态变量(x)和可观测状态变量(y),则通过x与y的关系定义一个合适的非受控状态空间模型结构S,参数θ∈Θ。也就是说,参数空间Θ中的每个参数向量与S中的特定模型相关联。在使用S进行预测之前,我们需要系统观测值来进行参数估计。这个过程的目的是确定θ值,预测“最好”接近数据(根据一些目标函数)。结果是真参数向量θ*的若干估计。当这些导致S产生超出我们数据范围的不同预测时,多参数估计是有问题的。这可能会使我们无法自信地做出预测,从而导致信息不足的研究。当S缺乏结构全局可辨识性(SGI)时,参数估计出现非唯一性。幸运的是,我们可以在数据收集之前对S进行SGI测试。SGI的缺席促使我们重新思考我们的实验设计或模型结构。在测试S的SGI之前,我们应该检查它的结构是最小的。如果是这样,我们就不能用产生相同输出的状态变量更少的结构来代替S。大多数测试方法都适用于始终使用相同方程的结构。例如,当一个过程的动态发生突然变化时,这些方法就不合适了。对于这种情况,线性开关系统(lss)的结构可能是合适的。结构中的任何系统都有一个线性时不变状态空间系统的集合,以及一个决定系统在每个瞬间有效的开关函数。因此,在为SGI测试LSS结构时,我们面临着一个新的挑战。我们将考虑一个开关事件的非受控LSS结构(ULSS-1结构)的情况。在这种情况下,我们可以通过输出函数在每个时间间隔上的拉普拉斯变换来解决结构极小性问题。每个有理函数都给出了极点零抵消的条件。如果几乎所有θ∈Θ都不满足这些条件,则S是结构极小的。分析方法可能相当费力。然而,我们可能期望一种数值方法能够迅速提供有用的见解。例如,如果极点零抵消发生在几乎所有足够大的参数值从Θ采样,那么结构最小是可能的。这一结果有助于我们进一步证明结构极小性的存在性。我们将使用Maple 2020-2对一个测试用例ULSS-1结构进行结构极小性的数值研究,该结构适用于用于监测生化相互作用的流动细胞生物传感器实验,其中包括流行的biacore品牌单元。
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