markovmodel / thermotools

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Estimators need to (optimally) return convergence values #10

Closed franknoe closed 8 years ago

franknoe commented 9 years ago

Iterative estimators such as WHAM etc must be able to return information about the convergence, i.e. the max-error history. It would also be useful to (optionally) access the likelihood history.

We have something like this for msmtools.estimation.transition_matrix (although that could be improved too)

cwehmeyer commented 8 years ago

WHAM and dTRAM now give (optional) access to the max-error and loglikelihood history via the arguments err_out and lll_out (output every *_out steps, default=0) in their estimate() functions.

Is that sufficient to close this issue?

franknoe commented 8 years ago

yes

Am 18/11/15 um 16:48 schrieb Christoph Wehmeyer:

WHAM and dTRAM now give (optional) access to the max-error and loglikelihood history via the arguments |err_out| and |lll_out| (output every |*_out| steps, default=0) in their |estimate()| functions.

Is that sufficient to close this issue?

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