ThermodynamicAnalyticsToolkit icon indicating copy to clipboard operation
ThermodynamicAnalyticsToolkit copied to clipboard

CCAdL's reproducibility was broken in branch WalkerEnsemble

Open FrederikHeber opened this issue 6 years ago • 1 comments

CCAdL reproducibility regression test was working in branch Averages_burnin and was broken during the introduction of the ensemble of walkers in the huge branch WalkerEnsemble.

See the description in the regression test script. The probable cause is a deviation in the gamma, as it is adaptively tuned in each step. This would cause all values (kinetic energy, total energy, gradient, noise, ...) to change when gamma is slightly different. Check whether total_noise which controls changes to gamma lacks a tf.control_dependency or some other cause ... it is strange though that the behavior is consistent for CCAdL' sampler test and changes with every run in the reproducibility test.

FrederikHeber avatar Jun 13 '18 09:06 FrederikHeber