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Utilizing Example Collection
The Benchmark collection is a set of independently published ODE-models calibrated with experimental data from the field of computational cell biology. The set of models is available in D2D, they are part of the Examples folder.
The introduction and analysis of the benchmark problem collection is published in Bioinformatics: Helge Hass et al. Benchmark Problems for Dynamic Modeling of Intracellular Processes
There also is a github page that collects the information about the benchmark models:.
Arbitrary subsets of the Benchmark collection (or other subsets of the example folder) can be used to perform method comparisons and performance assessments regarding parameter estimation and uncertainty quantification across different models. Here, we give a showcase example in how such an analysis could be implemented using D2D functionality:
First, a copy of the chosen subset (here, the ten fastest) of the benchmark collection is moved to a new folder:
mkdir('myFolder')
arCopyBenchmarkModels('fast10','myFolder')
cd('myFolder')
Secondly, all the setup files need to be compiled:
arCompileAllSetups
In the last step we want to run an analysis on all the models:
arEvalToAllExamples('arFitLHS','LHS100',[],1,100);
Here, a LHS 100 is performed for all the chosen models.
By specifying a more refined analysis function (e.g. @userfun
), a straightforward performance assessment across various models is available.
addpath(path_to_userfun); % add path to the working dir to find the user-function
arEvalToAllExamples(@userfun,'none',[],2);
Via this approach you can now utilize the model collection to perform your own analysis. In the respective function documentations, you can find more details.
- Installation and system requirements
- Setting up models
- First steps
- Advanced events and pre-equilibration
- Computation of integration-based prediction bands
- How is the architecture of the code and the most important commands?
- What are the most important fields of the global variable ar?
- What are the most important functions?
- Optimization algorithms available in the d2d-framework
- Objective function, likelhood and chi-square in the d2d framework
- How to set up priors?
- How to set up steady state constraints?
- How do I restart the solver upon a step input?
- How to deal with integrator tolerances?
- How to implement a bolus injection?
- How to implement washing and an injection?
- How to implement a moment ODE model?
- How to run PLE calculations on a Cluster?