We explore the possibility of combining Markov chain Monte Carlo (MCMC) with the rare event sampling approach known as ``splitting and killing." First, we prove there is a unique splitting method providing asymptotically consistent estimates when combined with MCMC. This splitting method, called weighted ensemble, has been known since 1997, yet its advantages over MCMC have not yet been precisely quantified. Our second contribution, therefore, is to clarify weighted ensemble's properties by providing a lower bound on the asymptotic variance of the method's estimates. We give a constructive proof and numerical examples to show weighted ensemble can approach this optimal variance bound, in many cases reducing the variance of MCMC estimates by multiple orders of magnitude.
翻译:我们探索了将Markov链条Monte Carlo(MCMC)与稀有事件抽样方法(即“分裂和杀戮 ” ) 相结合的可能性。 首先,我们证明存在着一种独特的分解方法,在与MCMC相结合时,这种分解方法提供了无症状的一致估计。这种分解方法自1997年以来一直为人所知,但其相对于MCMC的优势尚未被精确量化。因此,我们的第二个贡献是澄清加权组合的特性,对方法估算的无症状差异提供较低的约束。我们给出了建设性的证据和数字例子,以表明加权组合可以接近这一最佳差异,在许多情况下,将MCMC的估计数差异减少多个数量级。