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Merged
merged 8 commits into from
May 23, 2025
Merged

Add solver to callback call #215

merged 8 commits into from
May 23, 2025

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LeonStadelmann
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@LeonStadelmann LeonStadelmann requested a review from MUCDK April 21, 2025 14:58
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on_train_end is currectly not utilized anywhere, so I only edited on_log_iteration for each callback.

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codecov bot commented Apr 21, 2025

Codecov Report

Attention: Patch coverage is 63.63636% with 8 lines in your changes missing coverage. Please review.

Project coverage is 81.85%. Comparing base (4970ad4) to head (b6c0bdb).
Report is 47 commits behind head on main.

Files with missing lines Patch % Lines
src/cellflow/training/_callbacks.py 46.66% 8 Missing ⚠️
Additional details and impacted files

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@@            Coverage Diff             @@
##             main     #215      +/-   ##
==========================================
+ Coverage   81.35%   81.85%   +0.49%     
==========================================
  Files          38       38              
  Lines        2564     2546      -18     
  Branches      329      320       -9     
==========================================
- Hits         2086     2084       -2     
+ Misses        334      327       -7     
+ Partials      144      135       -9     
Files with missing lines Coverage Δ
src/cellflow/training/_trainer.py 98.30% <100.00%> (+0.05%) ⬆️
src/cellflow/training/_callbacks.py 65.10% <46.66%> (+0.91%) ⬆️

... and 3 files with indirect coverage changes

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@@ -477,6 +492,8 @@ def on_train_end(self, valid_data, pred_data) -> dict[str, Any]:
Validation data in nested dictionary format with same keys as ``pred_data``
pred_data: dict
Predicted data in nested dictionary format with same keys as ``valid_data``
solver
OTFM/GENOT solver with a conditional velocity field.
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please link to classes

@@ -452,6 +460,8 @@ def on_log_iteration(
Validation data in nested dictionary format with same keys as ``pred_data``
pred_data
Predicted data in nested dictionary format with same keys as ``valid_data``
solver
OTFM/GENOT solver with a conditional velocity field.
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please link to classes

@@ -176,6 +180,7 @@ def on_log_iteration(
self,
validation_data: dict[str, dict[str, ArrayLike]],
predicted_data: dict[str, dict[str, ArrayLike]],
_,
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please add typing, i.e. the two solver classes

@@ -248,6 +253,7 @@ def on_log_iteration(
self,
validation_data: dict[str, dict[str, ArrayLike]],
predicted_data: dict[str, dict[str, ArrayLike]],
_,
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please add typing, i.e. the two solver classes

@@ -305,6 +311,7 @@ def on_log_iteration(
self,
validation_data: dict[str, dict[str, ArrayLike]],
predicted_data: dict[str, dict[str, ArrayLike]],
_,
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please add typing, i.e. the two solver classes

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what I mean is _: _otfm.OTFlowMatching | _genot.GENOT

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Please also adapt at_train_end.

Please also introduce a test which tests for some custom callback using the solver.

Maybe a good use case would be compute two predictions when having stochastic mode, i.e. passing to different keys to predict, and report the gene-wise difference in the mean .

pass

def on_log_iteration(self, validation_data, predicted_data, solver):
pred_1 = solver.predict(x_test, cond)
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That's almost great!

Please make sure to provide a random key during initialisation, and then split the key into three keys, for 1) overriding self.key, and the other two for passing to solver.predict, as if you do not pass the key, predict will automatically select the learnt mean , thus you will get the same result.

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I understand the purpose of the two keys that are passed to solver.predict, but could you please explain again why we need to override self.key?

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if it always utilizes the same self.key, it will generate the same random noise. this is because split(key_0, 2) always returns the same two keys.

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see comments.

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MUCDK commented May 7, 2025

One thing I had missed so far is that we need to pass the ValidationData as well to on_log_iteration etc., not only the solver!

@LeonStadelmann LeonStadelmann requested a review from MUCDK May 12, 2025 15:38
@@ -246,8 +265,10 @@ def __init__(

def on_log_iteration(
self,
_source_data: dict[str, dict[str, ArrayLike]],
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why _source_data, and not source_data?

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here it'd better to absorb it actually.

validation_data: dict[str, dict[str, ArrayLike]],
predicted_data: dict[str, dict[str, ArrayLike]],
_solver: _otfm.OTFlowMatching | _genot.GENOT,
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absorb _solver

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Looks good, thanks!

The only thing I'm wondering about now is the naming in on_log_iteration, etc.

maybe source_val_data, true_val_data, pred_val_data?

@MUCDK MUCDK self-requested a review May 20, 2025 15:05
@MUCDK MUCDK merged commit ce064e3 into main May 23, 2025
5 of 9 checks passed
@MUCDK MUCDK deleted the add/solver_callback branch May 23, 2025 15:14
selmanozleyen added a commit that referenced this pull request Jun 13, 2025
commit 56888eb
Merge: d169628 9068a93
Author: Selman Özleyen <32667648+selmanozleyen@users.noreply.github.com>
Date:   Fri Jun 13 12:03:07 2025 +0200

    Merge pull request #235 from theislab/feature/predict_batch

    Feature and Speedup: `predict_batch`

commit d169628
Merge: f6cdf17 801adf0
Author: Dominik Klein <dominik.klein@helmholtz-munich.de>
Date:   Fri Jun 13 11:28:18 2025 +0200

    Merge pull request #239 from theislab/feature/ooc-dataloading

    Feature: Out of Core Dataloading Option

commit 801adf0
Author: selman.ozleyen <syozleyen@gmail.com>
Date:   Thu Jun 12 15:31:53 2025 +0200

    add return types

commit 6d44054
Author: selman.ozleyen <syozleyen@gmail.com>
Date:   Thu Jun 12 13:56:48 2025 +0200

    update error message

commit 3bda128
Author: selman.ozleyen <syozleyen@gmail.com>
Date:   Thu Jun 12 13:56:20 2025 +0200

    document better

commit de3b6ee
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commit 8f18574
Author: selman.ozleyen <syozleyen@gmail.com>
Date:   Thu Jun 12 13:50:55 2025 +0200

    remove unused fixture

commit 8e808a9
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commit 67e64e1
Author: selman.ozleyen <syozleyen@gmail.com>
Date:   Thu Jun 12 13:17:22 2025 +0200

    add tests

commit ab95081
Author: selman.ozleyen <syozleyen@gmail.com>
Date:   Thu Jun 12 12:08:48 2025 +0200

    throw error when there isn't any valid indices

commit 9068a93
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commit d65151a
Author: selman.ozleyen <syozleyen@gmail.com>
Date:   Thu Jun 12 11:38:34 2025 +0200

    When using PredictionSampler we can't use batched mode

commit bb941ea
Author: selman.ozleyen <syozleyen@gmail.com>
Date:   Thu Jun 12 11:33:45 2025 +0200

    clarify documentation that this requires same number of cells

commit 7461dc3
Author: LeonStadelmann <leonstadlmnn@gmail.com>
Date:   Sun Jun 1 16:07:15 2025 +0200

    Fix type error

commit 04566e7
Author: LeonStadelmann <leonstadlmnn@gmail.com>
Date:   Tue May 27 17:11:02 2025 +0200

    Replace tree map

commit 4a9bbcd
Merge: 855c5d9 f6cdf17
Author: LeonStadelmann <169152764+LeonStadelmann@users.noreply.github.com>
Date:   Tue May 27 16:58:19 2025 +0200

    Merge branch 'main' into feature/predict_batch

commit f6cdf17
Merge: b4b7c96 70766f5
Author: Dominik Klein <dominik.klein@helmholtz-munich.de>
Date:   Tue May 27 09:10:57 2025 +0200

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commit b4b7c96
Merge: 7a69c5d b67804f
Author: Dominik Klein <dominik.klein@helmholtz-munich.de>
Date:   Tue May 27 09:10:36 2025 +0200

    Merge pull request #245 from theislab/feature/stochastic_to_cellflow_class

    pass rng from cellflow.predict

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commit b67804f
Author: Dominik Klein <dominik.klein@helmholtz-munich.de>
Date:   Mon May 26 11:03:13 2025 +0200

    fix callback/

commit b9bc6c2
Author: Dominik Klein <dominik.klein@helmholtz-munich.de>
Date:   Mon May 26 09:04:25 2025 +0200

    pass rng from cellflow.predict

commit 7a69c5d
Merge: ce064e3 50a3cc8
Author: Dominik Klein <dominik.klein@helmholtz-munich.de>
Date:   Fri May 23 17:17:03 2025 +0200

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commit ce064e3
Merge: 6cb5540 b6c0bdb
Author: Dominik Klein <dominik.klein@helmholtz-munich.de>
Date:   Fri May 23 17:14:53 2025 +0200

    Merge pull request #215 from theislab/add/solver_callback

    Add solver to callback call

commit 6cb5540
Merge: 0dbf90f 83db489
Author: Dominik Klein <dominik.klein@helmholtz-munich.de>
Date:   Fri May 23 17:05:14 2025 +0200

    Merge pull request #233 from theislab/tutorial/combosciplex

    add combosciplex

commit 0dbf90f
Merge: d8ae659 69327d9
Author: Dominik Klein <dominik.klein@helmholtz-munich.de>
Date:   Fri May 23 17:04:55 2025 +0200

    Merge pull request #244 from theislab/tests/find_failing2

    deprecation python 3.10

commit 69327d9
Author: Dominik Klein <dominik.klein@helmholtz-munich.de>
Date:   Fri May 23 15:42:55 2025 +0200

    enable all tests

commit 83db489
Merge: 63c4966 d8ae659
Author: Dominik Klein <domin.klein@gmail.com>
Date:   Fri May 23 15:29:53 2025 +0200

    Merge branch 'main' into tutorial/combosciplex

commit 63c4966
Author: Dominik Klein <domin.klein@gmail.com>
Date:   Fri May 23 15:22:53 2025 +0200

    add combosciplex

commit 855c5d9
Author: LeonStadelmann <leonstadlmnn@gmail.com>
Date:   Fri May 23 14:59:56 2025 +0200

    revert duplicate removal

commit 235bc0e
Author: LeonStadelmann <leonstadlmnn@gmail.com>
Date:   Fri May 23 14:03:43 2025 +0200

    emove duplicate

commit 24ade1e
Author: LeonStadelmann <leonstadlmnn@gmail.com>
Date:   Fri May 23 14:01:31 2025 +0200

    Add testing for genot predict

commit 340b696
Author: Dominik Klein <dominik.klein@helmholtz-munich.de>
Date:   Fri May 23 12:23:15 2025 +0200

    only enable test_cellflow_with_validation

commit 9dfcd18
Author: Dominik Klein <dominik.klein@helmholtz-munich.de>
Date:   Fri May 23 11:50:27 2025 +0200

    skip some tests again

commit f481dac
Author: Dominik Klein <dominik.klein@helmholtz-munich.de>
Date:   Fri May 23 10:38:10 2025 +0200

    enable more tests again

commit 6bb6550
Author: Dominik Klein <dominik.klein@helmholtz-munich.de>
Date:   Fri May 23 10:27:57 2025 +0200

    deprecate 3.10

commit 8e8d2ad
Author: Dominik Klein <dominik.klein@helmholtz-munich.de>
Date:   Fri May 23 10:26:24 2025 +0200

    deprecate 3.10

commit 11d2f55
Author: Dominik Klein <dominik.klein@helmholtz-munich.de>
Date:   Fri May 23 10:24:35 2025 +0200

    deprecate 3.10

commit 459f435
Author: Dominik Klein <dominik.klein@helmholtz-munich.de>
Date:   Fri May 23 10:22:14 2025 +0200

    enable some more tests

commit 0b56b4c
Author: Dominik Klein <dominik.klein@helmholtz-munich.de>
Date:   Fri May 23 10:05:24 2025 +0200

    skip more tests

commit 2e7aac9
Author: Dominik Klein <dominik.klein@helmholtz-munich.de>
Date:   Fri May 23 09:48:30 2025 +0200

    skip more tests

commit d8ae659
Merge: 70eec9a f3c840c
Author: Dominik Klein <dominik.klein@helmholtz-munich.de>
Date:   Thu May 22 16:27:36 2025 +0200

    Merge pull request #241 from theislab/fix/tokenattention

    fix TokenAttention

commit 0da9154
Author: Dominik Klein <dominik.klein@helmholtz-munich.de>
Date:   Thu May 22 16:25:26 2025 +0200

    skip more tests

commit 7de55b3
Author: Dominik Klein <dominik.klein@helmholtz-munich.de>
Date:   Thu May 22 15:06:36 2025 +0200

    skip more tests

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commit 7840c80
Author: Dominik Klein <dominik.klein@helmholtz-munich.de>
Date:   Thu May 22 13:16:42 2025 +0200

    skip gene emb tests

commit f3c840c
Author: Dominik Klein <dominik.klein@helmholtz-munich.de>
Date:   Thu May 22 08:41:30 2025 +0200

    update scvi dependency

commit fd76f07
Author: selmanozleyen <syozleyen@gmail.com>
Date:   Wed May 21 13:15:15 2025 +0200

    add genot

commit e97edd2
Author: LeonStadelmann <leonstadlmnn@gmail.com>
Date:   Wed May 21 12:41:07 2025 +0200

    Handle empty input

commit 454734e
Author: Dominik Klein <dominik.klein@helmholtz-munich.de>
Date:   Tue May 20 19:31:39 2025 +0200

    revert previous precommit changes

commit 0884a8b
Author: Dominik Klein <dominik.klein@helmholtz-munich.de>
Date:   Tue May 20 17:17:10 2025 +0200

    fix tests

commit 186bcaa
Author: Dominik Klein <dominik.klein@helmholtz-munich.de>
Date:   Tue May 20 15:35:46 2025 +0200

    fix tests

commit c5c0494
Author: Dominik Klein <dominik.klein@helmholtz-munich.de>
Date:   Tue May 20 15:30:09 2025 +0200

    fix TokenAttention

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commit 5dc4a54
Author: selmanozleyen <syozleyen@gmail.com>
Date:   Tue May 20 12:45:24 2025 +0200

    support both dataloaders

commit dd098fa
Author: selmanozleyen <syozleyen@gmail.com>
Date:   Tue May 20 11:21:35 2025 +0200

    init

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commit 2ccb43d
Author: LeonStadelmann <leonstadlmnn@gmail.com>
Date:   Sun May 18 12:33:32 2025 +0200

    Add batched predict test

commit 10edee2
Author: LeonStadelmann <leonstadlmnn@gmail.com>
Date:   Sat May 17 20:11:45 2025 +0200

    Adjust docs

commit b6c0bdb
Author: LeonStadelmann <leonstadlmnn@gmail.com>
Date:   Sat May 17 17:42:27 2025 +0200

    fix docs

commit 021aff0
Author: selman.ozleyen <syozleyen@gmail.com>
Date:   Thu May 15 12:42:30 2025 +0200

    update implementation so that two functions predict and predict batch are unified

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commit db6dc69
Author: selman.ozleyen <syozleyen@gmail.com>
Date:   Tue May 13 18:20:22 2025 +0200

    needs testing

commit a3c43d3
Author: selman.ozleyen <syozleyen@gmail.com>
Date:   Tue May 13 18:00:26 2025 +0200

    condition keys left to add

commit 03dfb2b
Author: selman.ozleyen <syozleyen@gmail.com>
Date:   Tue May 13 17:50:41 2025 +0200

    init

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commit facf52d
Author: LeonStadelmann <leonstadlmnn@gmail.com>
Date:   Mon May 12 13:23:52 2025 +0200

    Added source data parameter + stochastic test

commit 04a1d2c
Author: Dominik Klein <domin.klein@gmail.com>
Date:   Fri May 9 13:35:02 2025 +0200

    add combosciplex

commit 54e2386
Author: LeonStadelmann <leonstadlmnn@gmail.com>
Date:   Thu May 1 16:16:21 2025 +0200

    Rename flow

commit ac8d073
Merge: 5327a05 4970ad4
Author: LeonStadelmann <leonstadlmnn@gmail.com>
Date:   Thu May 1 16:14:11 2025 +0200

    Merge branch 'main' into add/solver_callback

commit 5327a05
Author: LeonStadelmann <leonstadlmnn@gmail.com>
Date:   Thu May 1 12:37:09 2025 +0200

    Added test for custom callbacks

commit e650031
Author: LeonStadelmann <leonstadlmnn@gmail.com>
Date:   Thu Apr 24 18:09:57 2025 +0200

    Add typing and solver for on_train_end

commit 5e18f6e
Author: LeonStadelmann <leonstadlmnn@gmail.com>
Date:   Mon Apr 21 16:57:33 2025 +0200

    Add solver to callback call
selmanozleyen added a commit that referenced this pull request Jun 13, 2025
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commit 56888eb
Merge: d169628 9068a93
Author: Selman Özleyen <32667648+selmanozleyen@users.noreply.github.com>
Date:   Fri Jun 13 12:03:07 2025 +0200

    Merge pull request #235 from theislab/feature/predict_batch

    Feature and Speedup: `predict_batch`

commit d169628
Merge: f6cdf17 801adf0
Author: Dominik Klein <dominik.klein@helmholtz-munich.de>
Date:   Fri Jun 13 11:28:18 2025 +0200

    Merge pull request #239 from theislab/feature/ooc-dataloading

    Feature: Out of Core Dataloading Option

commit 801adf0
Author: selman.ozleyen <syozleyen@gmail.com>
Date:   Thu Jun 12 15:31:53 2025 +0200

    add return types

commit 6d44054
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Date:   Thu Jun 12 13:56:48 2025 +0200

    update error message

commit 3bda128
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    remove unused fixture

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    add tests

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    throw error when there isn't any valid indices

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commit d65151a
Author: selman.ozleyen <syozleyen@gmail.com>
Date:   Thu Jun 12 11:38:34 2025 +0200

    When using PredictionSampler we can't use batched mode

commit bb941ea
Author: selman.ozleyen <syozleyen@gmail.com>
Date:   Thu Jun 12 11:33:45 2025 +0200

    clarify documentation that this requires same number of cells

commit 7461dc3
Author: LeonStadelmann <leonstadlmnn@gmail.com>
Date:   Sun Jun 1 16:07:15 2025 +0200

    Fix type error

commit 04566e7
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selmanozleyen added a commit that referenced this pull request Jul 2, 2025
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---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Co-authored-by: Dominik Klein <dominik.klein@helmholtz-munich.de>
Co-authored-by: Dominik Klein <domin.klein@gmail.com>
Co-authored-by: LeonStadelmann <leonstadlmnn@gmail.com>
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