PEtab-dev / PEtab-dev/petab_sciml

PEtab SciML TODO

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Dominant language
Python
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11
Forks
4
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Description

This issue acts as a TODO on things to complete for the standard:

  • Add different initializationPriors. In addition the the supported priors in PEtab we should add glorot_normal, glorot_uniform as well as kaiming_normal and kaiming_uniform, where for the latter users will have to specify the gain. Need to add test cases for this.
  • Add ability to set initialization for a layer via the parameters table. The following should be allowed in the parameters table: netId.layerId. Need to add test cases for this.
  • Add test case where neural network parameters are constant (not estimated).
  • Following #4, specify neural network output in the condition table. This will wait for PEtab v2 spec completion.
  • Update the specification for PEtab SciML, and host it online in this repository. Usually I use Julia Documenter.jl for hosting docs, but I guess we should use something Python based for consistency?
  • Update to use the code in src/python/petab_sciml for setting up the test cases.
  • Add repository tests, specifically add tests to test the consistency between Lux.jl and PyTorch (this is already done in the net test-cases, but this should be refactored to a proper test directory).
  • Add and test for the yaml model specification and parameter import with PyTorch?
  • Add utility functions for creating array HDF5 files
  • Release version 0.1.0

Feel free to add any more points you might find relevant. Once the above points are addressed, I think the extension should be close to complete.

Contributor guide

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First steps

  1. Read the whole issue, then the project's contributing guide.
  2. Comment on the issue to say you are picking it up — it saves two people doing the same work.
  3. Fork the repository and make your change on a branch.
  4. Open a pull request that references the issue number.

Research direction

The checklist covers PEtab SciML specification, Python, Julia/Lux.jl, PyTorch, YAML, and repository tests, but only the 0.1.0 release remains unchecked. Start by reviewing the repository's release metadata and workflow; done means version 0.1.0 is released and the final checklist item is checked.

Written by the indexing model from the issue text.

Assessment

Tech stack
julia, python, pytorch, yaml
Domain
documentation, machine-learning, release, testing
Issue type
Feature
Difficulty
5/5
Estimated time
Over a week
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
25/100

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