Differentiated uniformization: a new method for inferring Markov chains on combinatorial state spaces including stochastic epidemic models

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Kevin Rupp, Rudolf Schill, Jonas Süskind, Peter Georg, Maren Klever, Andreas Lösch, Lars Grasedyck, Tilo Wettig, Rainer Spang
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Abstract

We consider continuous-time Markov chains that describe the stochastic evolution of a dynamical system by a transition-rate matrix Q which depends on a parameter \(\theta \). Computing the probability distribution over states at time t requires the matrix exponential \(\exp \,\left( tQ\right) \,\), and inferring \(\theta \) from data requires its derivative \(\partial \exp \,\left( tQ\right) \,/\partial \theta \). Both are challenging to compute when the state space and hence the size of Q is huge. This can happen when the state space consists of all combinations of the values of several interacting discrete variables. Often it is even impossible to store Q. However, when Q can be written as a sum of tensor products, computing \(\exp \,\left( tQ\right) \,\) becomes feasible by the uniformization method, which does not require explicit storage of Q. Here we provide an analogous algorithm for computing \(\partial \exp \,\left( tQ\right) \,/\partial \theta \), the differentiated uniformization method. We demonstrate our algorithm for the stochastic SIR model of epidemic spread, for which we show that Q can be written as a sum of tensor products. We estimate monthly infection and recovery rates during the first wave of the COVID-19 pandemic in Austria and quantify their uncertainty in a full Bayesian analysis. Implementation and data are available at https://github.com/spang-lab/TenSIR.

Abstract Image

有区别的统一化:推断组合状态空间(包括随机流行病模型)上马尔可夫链的新方法
我们考虑连续时间马尔可夫链,它通过过渡率矩阵 Q 来描述动态系统的随机演化,而过渡率矩阵 Q 取决于参数 (\theta \)。计算t时刻状态的概率分布需要矩阵指数(\exp \,\left(tQ\right)),而从数据中推断(\theta \)需要其导数(\partial \exp \,\left(tQ\right))。如果状态空间很大,因此 Q 的大小也很大,那么计算这两者都很困难。当状态空间由几个相互作用的离散变量值的所有组合组成时,就会出现这种情况。然而,当 Q 可以写成张量乘积之和时,通过均匀化方法计算 \(\exp \,\left( tQ\right) \,\)就变得可行了,这种方法不需要显式存储 Q。我们为随机 SIR 流行病传播模型演示了我们的算法,并证明 Q 可以写成张量乘积之和。我们估算了 COVID-19 在奥地利第一波流行期间的月感染率和恢复率,并通过全贝叶斯分析量化了其不确定性。实现方法和数据可在 https://github.com/spang-lab/TenSIR 上获取。
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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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