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New version 0.4-0 of serrsBayes on CRAN

May 1, 2019

I’ve just released a new version of my R package serrsBayes. It includes a fix for a major bug, where I was using the upper-triangular instead of the lower-triangular Cholesky factor for random-walk Metropolis proposals. It also includes a reimplementation of fitVoigtPeaksSMC using RcppEigen with OpenMP for parallelism. This function is still slower than fitSpectraSMC, but should result in a big speed improvement if you have OpenMP multi-threading enabled. See the release notes and CRANberries for details.

There are now two example Raman spectra available in the R package, methanol and TAMRA, as well as a new vignette.

methanolRaman

The vignette explains the main differences between the 3 functions fitSpectraMCMC, fitSpectraSMC, and fitVoigtPeaksSMC, and how to choose which function to use in a given situation. The methanol spectrum was kindly provided by my co-author, Professor Karen Faulds. It only has 4 (maybe 5?) peaks, so it is a bit easier to see what is going on than the TAMRA example in the first vignette.

I’m currently working on a new function that uses the iterated batch importance sampling (IBIS) algorithm of Chopin (2002). Expect that to be available in the R package later in the year.

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From → Functional Data, R

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