Improve the efficiency of the AssignmentCycles::determineAllDependencies() function

[eltix]

Hi all,

The AssignmentCycles::determineAllDependencies() function does not behave well with models having many parameters and rules and transitive dependencies between model constructs. Unfortunately, I cannot share any of the actual models we have had issues with for they are confidential. However, I have crafted a couple of examples (see attachments) which exhibit somewhat similar structures.

• The smallest example Model150.xml has 150 parameters and 147 assignment rules and the determineAllDependencies step takes around 1min on a regular machine.
• The Model180.xml one has 180 parameters and 177 assignment rules, it takes 3min.
• The largest one Model300.xml takes forever to terminate

For our actual models, this function takes a prohibitive time (> 1hour) to terminate even though the ODE system solving part takes less than a minute. As a consequence, we have temporarily bypassed the consistency checks altogether in our pipelines.

I would gladly get involved myself in the search for a suitable solution but my C++ skills are alas quite limited. Thank you all for maintaining this library!

Attachments

determineAllDependenciesInputs.zip

Contains:

1. the "small" Model150.xml example
2. the "medium" Model180.xml example
3. the "large" Model300.xml example
4. A runConsistencyChecks.cpp file to load a document and run the consistency checks

[fbergmann]

Without a model it will be really hard for us to determine whether we managed to tackle the performance issue. Could you perhaps run the validation once (overnight) for your 150 /180 model with valgrind:

valgrind --tool=callgrind ./<executable that validates your model>

the validate c++ example would work fine for that.

thank you

[eltix]

Thank you for your answer @fbergmann I don't really understand what you mean by "Without a model"? All three models are in the zip bundle I attached to the issue description.

[fbergmann]

indeed, nevermind. running cachegrind now to see where this is coming from

[fbergmann]

maybe you can try the code from the branch, with that the model300 completes in a couple of seconds for me

[eltix]

Thank you @fbergmann, I confirm your fix drastically improves the performance. For our problematic model, we went from close to infinite time to 2min30s which is already a great improvement.

[fbergmann]

You might want to think about encoding your model in SBML L2V1, there the restriction for assignment cycles does not hold, so the test would be skipped altogether. Since your model seems to use no features from L3V2 it might be something worth considering.