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Release 0.4.1 #1235

Merged
merged 21 commits into from
Dec 6, 2023
Merged

Release 0.4.1 #1235

merged 21 commits into from
Dec 6, 2023

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PaulJonasJost
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@PaulJonasJost PaulJonasJost commented Dec 5, 2023

dweindl and others added 17 commits November 28, 2023 13:15
* Extended scatter search documentation
* Changed `get_default_ess_options` to default to fides for local optimization instead of no local optimizer
* Added a wrapper for fides to forward walltime and function evaluation limits
Fixes
```
test/sample/test_sample.py: 542 warnings
  pyPESTO/pypesto/sample/geweke_test.py:202: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)
    alpha2[idxs[i]] = alpha2[idxs[i]] / (
```

Fixes #1207
#1218)

…ptions: maxfun

* Use the correct option for setting the maximum number of function evaluations for each scipy optimizer.

  Closes #970

  Note that this changes the default settings for some optimizers for which `maxfun` has so far been ignored.

* Reenable tests for scipy `trust-constr` and `dogleg` optimizers, closes #613
The recent flake8 fails with `pypesto/objective/amici/amici.py:624:33: B026 Star-arg unpacking after a keyword argument is strongly discouraged, because it only works when the keyword parameter is declared after all parameters supplied by the unpacked sequence, and this change of ordering can surprise and mislead readers.`

Fixed here.
* Closes #1164. Error due to amici not being able to compute initial jacobian paired with scipy bad error handling. Happens max 1:1e3 times. Therefore currently rerun the test.

* Decrease flake to 2 for random encounters, and additionally add checked startpoints.
Adds `Hdf5History.from_history()` which allows saving other histories as HDF5 later on.

(+ adds support for `pathlib.Path`)

Closes #1196
and some other formatting issues.

Co-authored-by: Paul Jonas Jost <[email protected]>
* documentation
* typehints
* simplify

Co-authored-by: Paul Jonas Jost <[email protected]>
…ts.py (#1223)

And remove redundant / contradictory types from docstrings
* Updated Citation

* Update README.md

Co-authored-by: Daniel Weindl <[email protected]>

---------

Co-authored-by: Daniel Weindl <[email protected]>
…_polynomial` (#1226)

There seems to be an indexing error in `pypesto.profile.profile_next_guess.get_reg_polynomial`, resulting in too few points being used for extrapolating parameter trajectories.
In the second case, not only too few, but also not the most recent parameter values are used.

Closes #1224
* Warnings for scipy and laplace prior.

* Returned develop changes.

* Update pypesto/optimize/optimizer.py

Co-authored-by: Daniel Weindl <[email protected]>

---------

Co-authored-by: Daniel Weindl <[email protected]>
* Updated docstring on history module

* Apply suggestions from code review

Co-authored-by: Daniel Weindl <[email protected]>

* Updated references

---------

Co-authored-by: Daniel Weindl <[email protected]>
* Updated docstring for engine module.

* Removed unnecessary import

* Apply suggestions from code review

Co-authored-by: Daniel Weindl <[email protected]>

---------

Co-authored-by: Daniel Weindl <[email protected]>
* Julia caching more efficient.

* Continue cachin tox and cache

* Permission only to julia job.

* moved caching before dependecie installation

* explicitly load PyCall, since it seems to not be installed correctly.

* Added Julia to all extra options.

* Caching Pythin before julia installation due to conflicts arising with PyCall.
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codecov-commenter commented Dec 5, 2023

Codecov Report

Attention: 12 lines in your changes are missing coverage. Please review.

Comparison is base (d0d2a73) 84.10% compared to head (a5bb845) 84.19%.

Files Patch % Lines
pypesto/optimize/ess/sacess.py 80.00% 6 Missing ⚠️
pypesto/optimize/optimizer.py 66.66% 2 Missing ⚠️
pypesto/engine/mpi_pool.py 0.00% 1 Missing ⚠️
pypesto/profile/walk_along_profile.py 88.88% 1 Missing ⚠️
pypesto/visualize/optimizer_history.py 50.00% 1 Missing ⚠️
pypesto/visualize/profiles.py 66.66% 1 Missing ⚠️

❗ Your organization needs to install the Codecov GitHub app to enable full functionality.

Additional details and impacted files
@@            Coverage Diff             @@
##             main    #1235      +/-   ##
==========================================
+ Coverage   84.10%   84.19%   +0.08%     
==========================================
  Files         148      148              
  Lines       11799    11865      +66     
==========================================
+ Hits         9924     9990      +66     
  Misses       1875     1875              

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

PaulJonasJost and others added 4 commits December 5, 2023 14:04
Fixes a bug where `Ensemble.from_optimization_endpoints` would raise `TypeError: 'NoneType' object is not subscriptable` when processing the result of an optimization that failed at the initial point.
* Renaming and update CODEOWNERS

Updated CODEOWNERS with the nonlinear monotone stuff.
Renamed the examples everywhere

* Update example.rst

---------

Co-authored-by: Paul Jonas Jost <[email protected]>
* Update Changelog and Version.

* Update Changelog.

* Add another codeownership change

---------

Co-authored-by: Doresic <[email protected]>
Co-authored-by: Doresic <[email protected]>
@PaulJonasJost PaulJonasJost marked this pull request as ready for review December 5, 2023 19:06
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@dweindl dweindl left a comment

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👍

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@vwiela vwiela left a comment

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Great!

@PaulJonasJost PaulJonasJost merged commit b4a187f into main Dec 6, 2023
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6 participants