numpy based subindexing in amici_util #462
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For a problem 1599x1599 Hessian I waited multiple minutes and the index based implementation didn't finish. With this, evaluation is <1s and loading/reshaping the hessian from AMICI actually becomes rate limiting. |
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Good to know. So for problems of that size, we may want to keep in mind that some routines in pyPESTO can become limiting, not AMICI, so good to always keep an eye on performance ... |
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@@ Coverage Diff @@
## develop #462 +/- ##
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- Coverage 91.03% 90.91% -0.12%
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Files 70 70
Lines 4015 4018 +3
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- Hits 3655 3653 -2
- Misses 360 365 +5
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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> * 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>
jvanhoefer
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Jan 18, 2021
* 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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Substantially improves efficiency for higher dimensional problems.