Fix optimization with priors #452
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I actually missed the first green change. I'm not sure if I understand what the problem is with the previous implementation? |
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so now the fval is always calculated. why is that required in the history / aggregated? wouldn't that rather be a potential problem if we require functions to always compute fval? |
https://github.com/ICB-DCM/pyPESTO/blob/master/pypesto/objective/amici_calculator.py We implemented that |
Codecov Report
@@ Coverage Diff @@
## develop #452 +/- ##
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+ Coverage 90.78% 91.11% +0.32%
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Files 69 69
Lines 3971 3972 +1
===========================================
+ Hits 3605 3619 +14
+ Misses 366 353 -13
Continue to review full report at Codecov.
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Yes, Amici does it by default. I thought we had said the history does not require fval (is it only CsvHistory?), but I may definitely be wrong there, too many changes. As this here is not wrong, just minimally less efficient, fine for me. |
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* Parameters plot, #418 (#425) * parameters plot, plotting a subset of parameters (#418) * "Variable used before assignment" fixed for parameters plot (#364) * Feature autocorrelation - close #251 (#426) * autocorrelation calculation by sokal * docs * notebook using ess * added ess and ac in result * created ess calculation * rename variable * docs * fix * remove print from test * parameter index in 1d marginal plot * added type * added type * docu * flake8 * Update pypesto/sample/diagnostics.py Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * docs * docs * grammar thingy * handle in get_data_to_plot in visu Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * fix display for least squares solver (#430) fix #429 * basic sanity checking for parameter fixing (#420) * basic sanity checking for parameter fixing * fixup type checks * fixup * fix typehints * fixup & refactor * update doc * fixup * Fix amici error output, fixes #427 (#428) * initial fix * add filter function * unify error and base initialization of return values * Profile options (#419) * change profile indexing to parameter indices instead of boolean indexing * adapt also approximation and test to new profile api Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Prior Example, closes # 434 (#438) * Add notebook prior definition * fix sphinx * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Improve notebook Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Fix offset_y and scale_y in waterfal plot (#441) * Correct offset_y for waterfall plots of result lists * enforce y_limits which show whole data when plotting result lists, if no explicit user input was given * fix nans and infs, deal with possibly different number of optiimzation runs in different result objects * fix 2 typos (#444) Co-authored-by: Thomas S. Ligon <tom@thomassligon.info> * Update priors.py (#448) * Fix optimization with priors (#452) * Update priors.py * Update priors.py * Fix PEtab import (Priors) (#454), closes #447 * bugfix + compliance to current PEtab version in prior import * resolve review + flake8 Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * prepare version 0.2.1 * Update doc/releasenotes.rst Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/releasenotes.rst Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/releasenotes.rst Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> Co-authored-by: Polina Lakrisenko <p.lakrisenko@gmail.com> Co-authored-by: Elba Raimúndez Alvarez <elba.raimundez@helmholtz-muenchen.de> Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> Co-authored-by: Fabian Fröhlich <fabian@schaluck.com> Co-authored-by: Paul Stapor <paul.stapor@helmholtz-muenchen.de> Co-authored-by: Thomas S. Ligon <tom@thomassligon.info>
yannikschaelte
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* Parameters plot, #418 (#425) * parameters plot, plotting a subset of parameters (#418) * "Variable used before assignment" fixed for parameters plot (#364) * Feature autocorrelation - close #251 (#426) * autocorrelation calculation by sokal * docs * notebook using ess * added ess and ac in result * created ess calculation * rename variable * docs * fix * remove print from test * parameter index in 1d marginal plot * added type * added type * docu * flake8 * Update pypesto/sample/diagnostics.py Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * docs * docs * grammar thingy * handle in get_data_to_plot in visu Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * fix display for least squares solver (#430) fix #429 * basic sanity checking for parameter fixing (#420) * basic sanity checking for parameter fixing * fixup type checks * fixup * fix typehints * fixup & refactor * update doc * fixup * Fix amici error output, fixes #427 (#428) * initial fix * add filter function * unify error and base initialization of return values * Profile options (#419) * change profile indexing to parameter indices instead of boolean indexing * adapt also approximation and test to new profile api Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Prior Example, closes # 434 (#438) * Add notebook prior definition * fix sphinx * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Improve notebook Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Fix offset_y and scale_y in waterfal plot (#441) * Correct offset_y for waterfall plots of result lists * enforce y_limits which show whole data when plotting result lists, if no explicit user input was given * fix nans and infs, deal with possibly different number of optiimzation runs in different result objects * fix 2 typos (#444) Co-authored-by: Thomas S. Ligon <tom@thomassligon.info> * Update priors.py (#448) * Fix optimization with priors (#452) * Update priors.py * Update priors.py * Fix PEtab import (Priors) (#454), closes #447 * bugfix + compliance to current PEtab version in prior import * resolve review + flake8 Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * prepare version 0.2.1 * Update doc/releasenotes.rst Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/releasenotes.rst Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/releasenotes.rst Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> Co-authored-by: Polina Lakrisenko <p.lakrisenko@gmail.com> Co-authored-by: Elba Raimúndez Alvarez <elba.raimundez@helmholtz-muenchen.de> Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> Co-authored-by: Fabian Fröhlich <fabian@schaluck.com> Co-authored-by: Paul Stapor <paul.stapor@helmholtz-muenchen.de> Co-authored-by: Thomas S. Ligon <tom@thomassligon.info> Co-authored-by: Jakob Vanhoefer <38346459+jvanhoefer@users.noreply.github.com> Co-authored-by: Polina Lakrisenko <p.lakrisenko@gmail.com> Co-authored-by: Elba Raimúndez Alvarez <elba.raimundez@helmholtz-muenchen.de> Co-authored-by: Fabian Fröhlich <fabian@schaluck.com> Co-authored-by: Paul Stapor <paul.stapor@helmholtz-muenchen.de> Co-authored-by: Thomas S. Ligon <tom@thomassligon.info>
yannikschaelte
added a commit
that referenced
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Oct 5, 2020
* V 021 (#455) * Parameters plot, #418 (#425) * parameters plot, plotting a subset of parameters (#418) * "Variable used before assignment" fixed for parameters plot (#364) * Feature autocorrelation - close #251 (#426) * autocorrelation calculation by sokal * docs * notebook using ess * added ess and ac in result * created ess calculation * rename variable * docs * fix * remove print from test * parameter index in 1d marginal plot * added type * added type * docu * flake8 * Update pypesto/sample/diagnostics.py Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * docs * docs * grammar thingy * handle in get_data_to_plot in visu Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * fix display for least squares solver (#430) fix #429 * basic sanity checking for parameter fixing (#420) * basic sanity checking for parameter fixing * fixup type checks * fixup * fix typehints * fixup & refactor * update doc * fixup * Fix amici error output, fixes #427 (#428) * initial fix * add filter function * unify error and base initialization of return values * Profile options (#419) * change profile indexing to parameter indices instead of boolean indexing * adapt also approximation and test to new profile api Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Prior Example, closes # 434 (#438) * Add notebook prior definition * fix sphinx * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Improve notebook Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Fix offset_y and scale_y in waterfal plot (#441) * Correct offset_y for waterfall plots of result lists * enforce y_limits which show whole data when plotting result lists, if no explicit user input was given * fix nans and infs, deal with possibly different number of optiimzation runs in different result objects * fix 2 typos (#444) Co-authored-by: Thomas S. Ligon <tom@thomassligon.info> * Update priors.py (#448) * Fix optimization with priors (#452) * Update priors.py * Update priors.py * Fix PEtab import (Priors) (#454), closes #447 * bugfix + compliance to current PEtab version in prior import * resolve review + flake8 Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * prepare version 0.2.1 * Update doc/releasenotes.rst Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/releasenotes.rst Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/releasenotes.rst Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> Co-authored-by: Polina Lakrisenko <p.lakrisenko@gmail.com> Co-authored-by: Elba Raimúndez Alvarez <elba.raimundez@helmholtz-muenchen.de> Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> Co-authored-by: Fabian Fröhlich <fabian@schaluck.com> Co-authored-by: Paul Stapor <paul.stapor@helmholtz-muenchen.de> Co-authored-by: Thomas S. Ligon <tom@thomassligon.info> * fix flake8 Co-authored-by: Jakob Vanhoefer <38346459+jvanhoefer@users.noreply.github.com> Co-authored-by: Polina Lakrisenko <p.lakrisenko@gmail.com> Co-authored-by: Elba Raimúndez Alvarez <elba.raimundez@helmholtz-muenchen.de> Co-authored-by: Fabian Fröhlich <fabian@schaluck.com> Co-authored-by: Paul Stapor <paul.stapor@helmholtz-muenchen.de> Co-authored-by: Thomas S. Ligon <tom@thomassligon.info>
jvanhoefer
added a commit
that referenced
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Oct 5, 2020
* Parameters plot, #418 (#425) * parameters plot, plotting a subset of parameters (#418) * "Variable used before assignment" fixed for parameters plot (#364) * Feature autocorrelation - close #251 (#426) * autocorrelation calculation by sokal * docs * notebook using ess * added ess and ac in result * created ess calculation * rename variable * docs * fix * remove print from test * parameter index in 1d marginal plot * added type * added type * docu * flake8 * Update pypesto/sample/diagnostics.py Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * docs * docs * grammar thingy * handle in get_data_to_plot in visu Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * fix display for least squares solver (#430) fix #429 * basic sanity checking for parameter fixing (#420) * basic sanity checking for parameter fixing * fixup type checks * fixup * fix typehints * fixup & refactor * update doc * fixup * Fix amici error output, fixes #427 (#428) * initial fix * add filter function * unify error and base initialization of return values * Profile options (#419) * change profile indexing to parameter indices instead of boolean indexing * adapt also approximation and test to new profile api Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Prior Example, closes # 434 (#438) * Add notebook prior definition * fix sphinx * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Improve notebook Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Fix offset_y and scale_y in waterfal plot (#441) * Correct offset_y for waterfall plots of result lists * enforce y_limits which show whole data when plotting result lists, if no explicit user input was given * fix nans and infs, deal with possibly different number of optiimzation runs in different result objects * fix 2 typos (#444) Co-authored-by: Thomas S. Ligon <tom@thomassligon.info> * Update priors.py (#448) * Fix optimization with priors (#452) * Update priors.py * Update priors.py * Fix PEtab import (Priors) (#454), closes #447 * bugfix + compliance to current PEtab version in prior import * resolve review + flake8 Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * V 021 (#455) (#456) * Parameters plot, #418 (#425) * parameters plot, plotting a subset of parameters (#418) * "Variable used before assignment" fixed for parameters plot (#364) * Feature autocorrelation - close #251 (#426) * autocorrelation calculation by sokal * docs * notebook using ess * added ess and ac in result * created ess calculation * rename variable * docs * fix * remove print from test * parameter index in 1d marginal plot * added type * added type * docu * flake8 * Update pypesto/sample/diagnostics.py Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * docs * docs * grammar thingy * handle in get_data_to_plot in visu Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * fix display for least squares solver (#430) fix #429 * basic sanity checking for parameter fixing (#420) * basic sanity checking for parameter fixing * fixup type checks * fixup * fix typehints * fixup & refactor * update doc * fixup * Fix amici error output, fixes #427 (#428) * initial fix * add filter function * unify error and base initialization of return values * Profile options (#419) * change profile indexing to parameter indices instead of boolean indexing * adapt also approximation and test to new profile api Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Prior Example, closes # 434 (#438) * Add notebook prior definition * fix sphinx * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Improve notebook Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Fix offset_y and scale_y in waterfal plot (#441) * Correct offset_y for waterfall plots of result lists * enforce y_limits which show whole data when plotting result lists, if no explicit user input was given * fix nans and infs, deal with possibly different number of optiimzation runs in different result objects * fix 2 typos (#444) Co-authored-by: Thomas S. Ligon <tom@thomassligon.info> * Update priors.py (#448) * Fix optimization with priors (#452) * Update priors.py * Update priors.py * Fix PEtab import (Priors) (#454), closes #447 * bugfix + compliance to current PEtab version in prior import * resolve review + flake8 Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * prepare version 0.2.1 * Update doc/releasenotes.rst Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/releasenotes.rst Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/releasenotes.rst Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> Co-authored-by: Polina Lakrisenko <p.lakrisenko@gmail.com> Co-authored-by: Elba Raimúndez Alvarez <elba.raimundez@helmholtz-muenchen.de> Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> Co-authored-by: Fabian Fröhlich <fabian@schaluck.com> Co-authored-by: Paul Stapor <paul.stapor@helmholtz-muenchen.de> Co-authored-by: Thomas S. Ligon <tom@thomassligon.info> Co-authored-by: Jakob Vanhoefer <38346459+jvanhoefer@users.noreply.github.com> Co-authored-by: Polina Lakrisenko <p.lakrisenko@gmail.com> Co-authored-by: Elba Raimúndez Alvarez <elba.raimundez@helmholtz-muenchen.de> Co-authored-by: Fabian Fröhlich <fabian@schaluck.com> Co-authored-by: Paul Stapor <paul.stapor@helmholtz-muenchen.de> Co-authored-by: Thomas S. Ligon <tom@thomassligon.info> * Feature cmaes (#457) * updated python script with not yet finished integration of cma-es optimizer * updated python script with not yet finished integration of cma-es optimizer * updated python script with not yet finished integration of cma-es optimizer * updated python script with not yet finished integration of cma-es optimizer * updated python script with not yet finished integration of cma-es optimizer * updated python script with not yet finished integration of cma-es optimizer * updated python script with not yet finished integration of cma-es optimizer * updated python script with not yet finished integration of cma-es optimizer * integration of cma-es optimizer * updated version * updated version * Update setup.py Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * updated version * updated version * updated version * updated version * updated version * updated version * updated version * updated version * updated version * updated version * updated version * updated version * updated version * updated version * updated version * fix flake8 Co-authored-by: Jakob Vanhoefer <38346459+jvanhoefer@users.noreply.github.com> Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> Co-authored-by: yannikschaelte <yannik.schaelte@gmail.com> * Plot convergence summary and update outdated notebook (#446) * update severely outdated example notebook * add convergence visualization * fix nans * fix flake * update docstring * use problem.get_reduced_vector * fix typehints + docstring * Update pypesto/visualize/optimizer_convergence.py Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * add to notebook, fix scale, add grad to vis test Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * fix type checks visualization reference points (#460) * fix for new amici release (#469) * fix for new amici release * update amici requirement * allow longer travis wait time Co-authored-by: yannikschaelte <yannik.schaelte@gmail.com> * fix arguments dlib (#466) (closes #465) * fix arguments ipopt * update docu minimize fct. * fix test_sbml_conversion.py Co-authored-by: Fabian Fröhlich <fabian@schaluck.com> * numpy based subindexing in amici_util (#462) * Update amici_util.py * add return doc * fixups * fix test * fix for non-unique par_opt_slice * reduce function complexity * add check for installation ipopt (#470) closes #468 Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> Co-authored-by: Fabian Fröhlich <fabian@schaluck.com> * check optional requirements amici/petab in PEtab import (#477) * add maxiter to Dlibs default options fixes #474 (#476) * add maxiter to Dlibs default options * Update pypesto/optimize/optimizer.py Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * fix flake8 Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * fix y_limits in waterfall plot for list of result objects (#475) * prepare v022 (#479) * prepare v022 * fix review suggestions * Fix merge conflicts (#481) * V 021 (#455) * Parameters plot, #418 (#425) * parameters plot, plotting a subset of parameters (#418) * "Variable used before assignment" fixed for parameters plot (#364) * Feature autocorrelation - close #251 (#426) * autocorrelation calculation by sokal * docs * notebook using ess * added ess and ac in result * created ess calculation * rename variable * docs * fix * remove print from test * parameter index in 1d marginal plot * added type * added type * docu * flake8 * Update pypesto/sample/diagnostics.py Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * docs * docs * grammar thingy * handle in get_data_to_plot in visu Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * fix display for least squares solver (#430) fix #429 * basic sanity checking for parameter fixing (#420) * basic sanity checking for parameter fixing * fixup type checks * fixup * fix typehints * fixup & refactor * update doc * fixup * Fix amici error output, fixes #427 (#428) * initial fix * add filter function * unify error and base initialization of return values * Profile options (#419) * change profile indexing to parameter indices instead of boolean indexing * adapt also approximation and test to new profile api Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Prior Example, closes # 434 (#438) * Add notebook prior definition * fix sphinx * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Improve notebook Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Fix offset_y and scale_y in waterfal plot (#441) * Correct offset_y for waterfall plots of result lists * enforce y_limits which show whole data when plotting result lists, if no explicit user input was given * fix nans and infs, deal with possibly different number of optiimzation runs in different result objects * fix 2 typos (#444) Co-authored-by: Thomas S. Ligon <tom@thomassligon.info> * Update priors.py (#448) * Fix optimization with priors (#452) * Update priors.py * Update priors.py * Fix PEtab import (Priors) (#454), closes #447 * bugfix + compliance to current PEtab version in prior import * resolve review + flake8 Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * prepare version 0.2.1 * Update doc/releasenotes.rst Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/releasenotes.rst Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/releasenotes.rst Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> Co-authored-by: Polina Lakrisenko <p.lakrisenko@gmail.com> Co-authored-by: Elba Raimúndez Alvarez <elba.raimundez@helmholtz-muenchen.de> Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> Co-authored-by: Fabian Fröhlich <fabian@schaluck.com> Co-authored-by: Paul Stapor <paul.stapor@helmholtz-muenchen.de> Co-authored-by: Thomas S. Ligon <tom@thomassligon.info> * fix flake8 Co-authored-by: Jakob Vanhoefer <38346459+jvanhoefer@users.noreply.github.com> Co-authored-by: Polina Lakrisenko <p.lakrisenko@gmail.com> Co-authored-by: Elba Raimúndez Alvarez <elba.raimundez@helmholtz-muenchen.de> Co-authored-by: Fabian Fröhlich <fabian@schaluck.com> Co-authored-by: Paul Stapor <paul.stapor@helmholtz-muenchen.de> Co-authored-by: Thomas S. Ligon <tom@thomassligon.info> Co-authored-by: Polina Lakrisenko <p.lakrisenko@gmail.com> Co-authored-by: Elba Raimúndez Alvarez <elba.raimundez@helmholtz-muenchen.de> Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> Co-authored-by: Fabian Fröhlich <fabian@schaluck.com> Co-authored-by: Paul Stapor <paul.stapor@helmholtz-muenchen.de> Co-authored-by: Thomas S. Ligon <tom@thomassligon.info> Co-authored-by: PhilippStaedter <42141163+PhilippStaedter@users.noreply.github.com> Co-authored-by: yannikschaelte <yannik.schaelte@gmail.com>
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* release v0.2.2 (#480) * Parameters plot, #418 (#425) * parameters plot, plotting a subset of parameters (#418) * "Variable used before assignment" fixed for parameters plot (#364) * Feature autocorrelation - close #251 (#426) * autocorrelation calculation by sokal * docs * notebook using ess * added ess and ac in result * created ess calculation * rename variable * docs * fix * remove print from test * parameter index in 1d marginal plot * added type * added type * docu * flake8 * Update pypesto/sample/diagnostics.py Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * docs * docs * grammar thingy * handle in get_data_to_plot in visu Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * fix display for least squares solver (#430) fix #429 * basic sanity checking for parameter fixing (#420) * basic sanity checking for parameter fixing * fixup type checks * fixup * fix typehints * fixup & refactor * update doc * fixup * Fix amici error output, fixes #427 (#428) * initial fix * add filter function * unify error and base initialization of return values * Profile options (#419) * change profile indexing to parameter indices instead of boolean indexing * adapt also approximation and test to new profile api Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Prior Example, closes # 434 (#438) * Add notebook prior definition * fix sphinx * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Improve notebook Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Fix offset_y and scale_y in waterfal plot (#441) * Correct offset_y for waterfall plots of result lists * enforce y_limits which show whole data when plotting result lists, if no explicit user input was given * fix nans and infs, deal with possibly different number of optiimzation runs in different result objects * fix 2 typos (#444) Co-authored-by: Thomas S. Ligon <tom@thomassligon.info> * Update priors.py (#448) * Fix optimization with priors (#452) * Update priors.py * Update priors.py * Fix PEtab import (Priors) (#454), closes #447 * bugfix + compliance to current PEtab version in prior import * resolve review + flake8 Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * V 021 (#455) (#456) * Parameters plot, #418 (#425) * parameters plot, plotting a subset of parameters (#418) * "Variable used before assignment" fixed for parameters plot (#364) * Feature autocorrelation - close #251 (#426) * autocorrelation calculation by sokal * docs * notebook using ess * added ess and ac in result * created ess calculation * rename variable * docs * fix * remove print from test * parameter index in 1d marginal plot * added type * added type * docu * flake8 * Update pypesto/sample/diagnostics.py Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * docs * docs * grammar thingy * handle in get_data_to_plot in visu Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * fix display for least squares solver (#430) fix #429 * basic sanity checking for parameter fixing (#420) * basic sanity checking for parameter fixing * fixup type checks * fixup * fix typehints * fixup & refactor * update doc * fixup * Fix amici error output, fixes #427 (#428) * initial fix * add filter function * unify error and base initialization of return values * Profile options (#419) * change profile indexing to parameter indices instead of boolean indexing * adapt also approximation and test to new profile api Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Prior Example, closes # 434 (#438) * Add notebook prior definition * fix sphinx * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Improve notebook Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Fix offset_y and scale_y in waterfal plot (#441) * Correct offset_y for waterfall plots of result lists * enforce y_limits which show whole data when plotting result lists, if no explicit user input was given * fix nans and infs, deal with possibly different number of optiimzation runs in different result objects * fix 2 typos (#444) Co-authored-by: Thomas S. Ligon <tom@thomassligon.info> * Update priors.py (#448) * Fix optimization with priors (#452) * Update priors.py * Update priors.py * Fix PEtab import (Priors) (#454), closes #447 * bugfix + compliance to current PEtab version in prior import * resolve review + flake8 Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * prepare version 0.2.1 * Update doc/releasenotes.rst Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/releasenotes.rst Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/releasenotes.rst Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> Co-authored-by: Polina Lakrisenko <p.lakrisenko@gmail.com> Co-authored-by: Elba Raimúndez Alvarez <elba.raimundez@helmholtz-muenchen.de> Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> Co-authored-by: Fabian Fröhlich <fabian@schaluck.com> Co-authored-by: Paul Stapor <paul.stapor@helmholtz-muenchen.de> Co-authored-by: Thomas S. Ligon <tom@thomassligon.info> Co-authored-by: Jakob Vanhoefer <38346459+jvanhoefer@users.noreply.github.com> Co-authored-by: Polina Lakrisenko <p.lakrisenko@gmail.com> Co-authored-by: Elba Raimúndez Alvarez <elba.raimundez@helmholtz-muenchen.de> Co-authored-by: Fabian Fröhlich <fabian@schaluck.com> Co-authored-by: Paul Stapor <paul.stapor@helmholtz-muenchen.de> Co-authored-by: Thomas S. Ligon <tom@thomassligon.info> * Feature cmaes (#457) * updated python script with not yet finished integration of cma-es optimizer * updated python script with not yet finished integration of cma-es optimizer * updated python script with not yet finished integration of cma-es optimizer * updated python script with not yet finished integration of cma-es optimizer * updated python script with not yet finished integration of cma-es optimizer * updated python script with not yet finished integration of cma-es optimizer * updated python script with not yet finished integration of cma-es optimizer * updated python script with not yet finished integration of cma-es optimizer * integration of cma-es optimizer * updated version * updated version * Update setup.py Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * updated version * updated version * updated version * updated version * updated version * updated version * updated version * updated version * updated version * updated version * updated version * updated version * updated version * updated version * updated version * fix flake8 Co-authored-by: Jakob Vanhoefer <38346459+jvanhoefer@users.noreply.github.com> Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> Co-authored-by: yannikschaelte <yannik.schaelte@gmail.com> * Plot convergence summary and update outdated notebook (#446) * update severely outdated example notebook * add convergence visualization * fix nans * fix flake * update docstring * use problem.get_reduced_vector * fix typehints + docstring * Update pypesto/visualize/optimizer_convergence.py Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * add to notebook, fix scale, add grad to vis test Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * fix type checks visualization reference points (#460) * fix for new amici release (#469) * fix for new amici release * update amici requirement * allow longer travis wait time Co-authored-by: yannikschaelte <yannik.schaelte@gmail.com> * fix arguments dlib (#466) (closes #465) * fix arguments ipopt * update docu minimize fct. * fix test_sbml_conversion.py Co-authored-by: Fabian Fröhlich <fabian@schaluck.com> * numpy based subindexing in amici_util (#462) * Update amici_util.py * add return doc * fixups * fix test * fix for non-unique par_opt_slice * reduce function complexity * add check for installation ipopt (#470) closes #468 Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> Co-authored-by: Fabian Fröhlich <fabian@schaluck.com> * check optional requirements amici/petab in PEtab import (#477) * add maxiter to Dlibs default options fixes #474 (#476) * add maxiter to Dlibs default options * Update pypesto/optimize/optimizer.py Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * fix flake8 Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * fix y_limits in waterfall plot for list of result objects (#475) * prepare v022 (#479) * prepare v022 * fix review suggestions * Fix merge conflicts (#481) * V 021 (#455) * Parameters plot, #418 (#425) * parameters plot, plotting a subset of parameters (#418) * "Variable used before assignment" fixed for parameters plot (#364) * Feature autocorrelation - close #251 (#426) * autocorrelation calculation by sokal * docs * notebook using ess * added ess and ac in result * created ess calculation * rename variable * docs * fix * remove print from test * parameter index in 1d marginal plot * added type * added type * docu * flake8 * Update pypesto/sample/diagnostics.py Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * docs * docs * grammar thingy * handle in get_data_to_plot in visu Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * fix display for least squares solver (#430) fix #429 * basic sanity checking for parameter fixing (#420) * basic sanity checking for parameter fixing * fixup type checks * fixup * fix typehints * fixup & refactor * update doc * fixup * Fix amici error output, fixes #427 (#428) * initial fix * add filter function * unify error and base initialization of return values * Profile options (#419) * change profile indexing to parameter indices instead of boolean indexing * adapt also approximation and test to new profile api Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Prior Example, closes # 434 (#438) * Add notebook prior definition * fix sphinx * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/example/prior_definition.ipynb Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Improve notebook Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Fix offset_y and scale_y in waterfal plot (#441) * Correct offset_y for waterfall plots of result lists * enforce y_limits which show whole data when plotting result lists, if no explicit user input was given * fix nans and infs, deal with possibly different number of optiimzation runs in different result objects * fix 2 typos (#444) Co-authored-by: Thomas S. Ligon <tom@thomassligon.info> * Update priors.py (#448) * Fix optimization with priors (#452) * Update priors.py * Update priors.py * Fix PEtab import (Priors) (#454), closes #447 * bugfix + compliance to current PEtab version in prior import * resolve review + flake8 Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * prepare version 0.2.1 * Update doc/releasenotes.rst Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/releasenotes.rst Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> * Update doc/releasenotes.rst Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> Co-authored-by: Polina Lakrisenko <p.lakrisenko@gmail.com> Co-authored-by: Elba Raimúndez Alvarez <elba.raimundez@helmholtz-muenchen.de> Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> Co-authored-by: Fabian Fröhlich <fabian@schaluck.com> Co-authored-by: Paul Stapor <paul.stapor@helmholtz-muenchen.de> Co-authored-by: Thomas S. Ligon <tom@thomassligon.info> * fix flake8 Co-authored-by: Jakob Vanhoefer <38346459+jvanhoefer@users.noreply.github.com> Co-authored-by: Polina Lakrisenko <p.lakrisenko@gmail.com> Co-authored-by: Elba Raimúndez Alvarez <elba.raimundez@helmholtz-muenchen.de> Co-authored-by: Fabian Fröhlich <fabian@schaluck.com> Co-authored-by: Paul Stapor <paul.stapor@helmholtz-muenchen.de> Co-authored-by: Thomas S. Ligon <tom@thomassligon.info> Co-authored-by: Polina Lakrisenko <p.lakrisenko@gmail.com> Co-authored-by: Elba Raimúndez Alvarez <elba.raimundez@helmholtz-muenchen.de> Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> Co-authored-by: Fabian Fröhlich <fabian@schaluck.com> Co-authored-by: Paul Stapor <paul.stapor@helmholtz-muenchen.de> Co-authored-by: Thomas S. Ligon <tom@thomassligon.info> Co-authored-by: PhilippStaedter <42141163+PhilippStaedter@users.noreply.github.com> Co-authored-by: yannikschaelte <yannik.schaelte@gmail.com> * fix dublicate * rerun github actions Co-authored-by: Polina Lakrisenko <p.lakrisenko@gmail.com> Co-authored-by: Elba Raimúndez Alvarez <elba.raimundez@helmholtz-muenchen.de> Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com> Co-authored-by: Fabian Fröhlich <fabian@schaluck.com> Co-authored-by: Paul Stapor <paul.stapor@helmholtz-muenchen.de> Co-authored-by: Thomas S. Ligon <tom@thomassligon.info> Co-authored-by: PhilippStaedter <42141163+PhilippStaedter@users.noreply.github.com> Co-authored-by: yannikschaelte <yannik.schaelte@gmail.com>
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* cont * cont * cont * add noise formulas * fix formating * fixup
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allows optimization with prior, otherwise aggregate objective can't aggregate (and history wont work).