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Diffstat (limited to 'NEWS.md')
| -rw-r--r-- | NEWS.md | 16 |
1 files changed, 8 insertions, 8 deletions
@@ -1,6 +1,6 @@ -# mkin 0.9.49.5 (2019-06-04) +# mkin 0.9.49.5 (2019-07-03) -- Several algorithms for minimization of the negative log-likelihood for non-constant error models (two-component and variance by variable). In the case the error model is constant variance, least squares is used as this is more stable. The default algorithm tries direct minimization and a three step procedure, and returns the model with the highest likelihood. +- Several algorithms for minimization of the negative log-likelihood for non-constant error models (two-component and variance by variable). In the case the error model is constant variance, least squares is used as this is more stable. The default algorithm 'd_3' tries direct minimization and a three-step procedure, and returns the model with the highest likelihood. - The argument 'reweight.method' to mkinfit and mmkin is now obsolete, use 'error_model' and 'error_model_algorithm' instead @@ -8,19 +8,19 @@ - New function 'mkinerrplot'. This function is also used for residual plots in 'plot.mmkin' if the argument 'resplot = "errmod"' is given, and in 'plot.mkinfit' if 'show_errplot' is set to TRUE. -- Remove dependency on FME, only use nlminb for optimisation +- Remove dependency on FME, only use nlminb for optimisation ('Port' algorithm). I cannot remember cases where one of the other optimisation algorithms was preferable, except that I sometime used Levenberg-Marquardt for speed in cases where I did not expect to get trapped in a local minimum. -- Use the numDeriv package to calculate hessians +- Use the numDeriv package to calculate hessians. This results in slightly different confidence intervals, takes a bit longer, but is apparently more robust -- Add a benchmark vignette to document the impact on performance. For very simple fits, the new code is a bit slower, presumably because of the time it takes to calculate the hessian matrices with and without parameter transformation +- Add a simple benchmark vignette to document the impact on performance. -- The code for manual weighting was removed +- The code for manual weighting was removed. This functionality might get added again at a later time. -- The fitting time reported in the summary now includes the calculation of the hessians +- The fitting time reported in the summary now includes the time used for calculation of the hessians - Adapt tests -- Fix an error in the FOCUS chi2 error level calculations that occurred if parameters were specified in parms.ini that were not in the model. A warning was already issued, but when fitting via mmkin this could easily go unnoticed. +- Fix an error in the FOCUS chi2 error level calculations that occurred if parameters were specified in parms.ini that were not in the model. A warning was already issued, but when fitting in parallel via mmkin this could go unnoticed. # mkin 0.9.48.1 (2019-03-04) |