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Adds FittingProblem arg for model rebuild on evaluation, DFN examples and data-generation scripts#663

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BradyPlanden merged 12 commits into
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dfn-identification-additions
Mar 26, 2025
Merged

Adds FittingProblem arg for model rebuild on evaluation, DFN examples and data-generation scripts#663
BradyPlanden merged 12 commits into
developfrom
dfn-identification-additions

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@BradyPlanden

@BradyPlanden BradyPlanden commented Feb 10, 2025

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Description

Completes the following:

  • Creates initial synthetic data generation examples
    • Aligns our examples to better represent true PyBOP usage
    • Allows us to filter the model.predict output for discontinuities that occur from multi-step experiments (this currently causes large issues with the interpolated IDAKLU)
  • Adds DFN identification examples

Issue reference

Fixes #662

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  • Updated the CHANGELOG.md in reverse chronological order (newest at the top) with a concise description of the changes, including the PR number.
  • Noted any breaking changes, including details on how it might impact existing functionality.

Type of change

  • New Feature: A non-breaking change that adds new functionality.
  • Optimization: A code change that improves performance.
  • Examples: A change to existing or additional examples.
  • Bug Fix: A non-breaking change that addresses an issue.
  • Documentation: Updates to documentation or new documentation for new features.
  • Refactoring: Non-functional changes that improve the codebase.
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  • Testing: Additional tests to improve coverage or confirm functionality.
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@codecov

codecov Bot commented Feb 10, 2025

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Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 99.21%. Comparing base (f4cc252) to head (df79ec2).
Report is 30 commits behind head on develop.

Additional details and impacted files
@@           Coverage Diff            @@
##           develop     #663   +/-   ##
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  Coverage    99.21%   99.21%           
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  Files           67       67           
  Lines         4834     4842    +8     
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+ Hits          4796     4804    +8     
  Misses          38       38           

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@BradyPlanden BradyPlanden changed the title Combines initial_state into FittingProblem, adds DFN examples and data-generation scripts Adds FittingProblem arg for model rebuild on evaluation, DFN examples and data-generation scripts Feb 10, 2025
# Conflicts:
#	CHANGELOG.md
#	examples/scripts/comparison_examples/adamw.py
#	examples/scripts/comparison_examples/irpropmin.py
#	examples/scripts/comparison_examples/maximum_likelihood.py
#	examples/scripts/getting_started/ask-tell-interface.py
#	pybop/optimisers/base_optimiser.py

@martinjrobins martinjrobins left a comment

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thanks @BradyPlanden, looks good to me :)

@NicolaCourtier

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Thanks for these additions @BradyPlanden!

It seems to me that the safe option would be to set build_on_evaluation to True by default. But does this flag control rebuilding for geometric parameters or just rebuilding for an initial state?

@BradyPlanden

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Thanks for the review/comments @martinjrobins @NicolaCourtier!

I've removed the extra build_on_evaluation argument and replaced it with the model.set_initial_state method in the examples. For the time being, I'd agree that this is more consistent with how we expect users to interact with the model and problem classes; however, I think we should reconsider allowing the management of the models' initial_state from both classes in the future, as it can be confusing to users how they differ, and when to use one versus the other. Anyway, I'll cross-post this to a separate issue for us to discuss!

@BradyPlanden BradyPlanden merged commit 95e3c97 into develop Mar 26, 2025
@BradyPlanden BradyPlanden deleted the dfn-identification-additions branch March 26, 2025 10:12
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Add DFN identification examples

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