From 95178837d3f91e84837628446b5fd468179af2b9 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Tue, 4 Jun 2019 15:09:28 +0200 Subject: Additional algorithm "d_c", more tests, docs The new algorithm tries direct optimization of the likelihood, as well as a three step procedure. In this way, we consistently get the model with the highest likelihood for SFO, DFOP and HS for all 12 new test datasets. --- docs/news/index.html | 16 +++++++++------- 1 file changed, 9 insertions(+), 7 deletions(-) (limited to 'docs/news/index.html') diff --git a/docs/news/index.html b/docs/news/index.html index 11414ed3..df6d53db 100644 --- a/docs/news/index.html +++ b/docs/news/index.html @@ -60,7 +60,7 @@ mkin - 0.9.49.4 + 0.9.49.5 @@ -122,13 +122,14 @@ -
+

-mkin 0.9.49.4 (2019-05-08) Unreleased +mkin 0.9.49.5 (2019-06-04) Unreleased

    -

  • Direct 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 argument ‘reweight.method’ to mkinfit and mmkin is now obsolete, use ‘error_model’ instead

    • +

  • 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.

    • +

  • The argument ‘reweight.method’ to mkinfit and mmkin is now obsolete, use ‘error_model’ and ‘error_model_algorithm’ instead

    • +

  • Add a test that checks if we get the best known AIC for parent only fits to 12 test datasets. Add these test datasets for this purpose.

  • 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

  • Use the numDeriv package to calculate hessians

    • @@ -136,6 +137,7 @@

  • The code for manual weighting was removed

  • The fitting time reported in the summary now includes the 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.

@@ -696,7 +698,7 @@

Contents

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Site built with pkgdown 1.3.0.9000.

+

Site built with pkgdown 1.3.0.

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