Kevin Rupp, Rudolf Schill, Jonas Süskind, Peter Georg, Maren Klever, Andreas Lösch, Lars Grasedyck, Tilo Wettig, Rainer Spang
{"title":"Differentiated uniformization: a new method for inferring Markov chains on combinatorial state spaces including stochastic epidemic models","authors":"Kevin Rupp, Rudolf Schill, Jonas Süskind, Peter Georg, Maren Klever, Andreas Lösch, Lars Grasedyck, Tilo Wettig, Rainer Spang","doi":"10.1007/s00180-024-01454-9","DOIUrl":null,"url":null,"abstract":"<p>We consider continuous-time Markov chains that describe the stochastic evolution of a dynamical system by a transition-rate matrix <i>Q</i> which depends on a parameter <span>\\(\\theta \\)</span>. Computing the probability distribution over states at time <i>t</i> requires the matrix exponential <span>\\(\\exp \\,\\left( tQ\\right) \\,\\)</span>, and inferring <span>\\(\\theta \\)</span> from data requires its derivative <span>\\(\\partial \\exp \\,\\left( tQ\\right) \\,/\\partial \\theta \\)</span>. Both are challenging to compute when the state space and hence the size of <i>Q</i> 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 <i>Q</i>. However, when <i>Q</i> can be written as a sum of tensor products, computing <span>\\(\\exp \\,\\left( tQ\\right) \\,\\)</span> becomes feasible by the uniformization method, which does not require explicit storage of <i>Q</i>. Here we provide an analogous algorithm for computing <span>\\(\\partial \\exp \\,\\left( tQ\\right) \\,/\\partial \\theta \\)</span>, the <i>differentiated uniformization method</i>. We demonstrate our algorithm for the stochastic SIR model of epidemic spread, for which we show that <i>Q</i> 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.</p>","PeriodicalId":1,"journal":{"name":"Accounts of Chemical Research","volume":null,"pages":null},"PeriodicalIF":16.4000,"publicationDate":"2024-01-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Accounts of Chemical Research","FirstCategoryId":"100","ListUrlMain":"https://doi.org/10.1007/s00180-024-01454-9","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
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.
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.