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Benchmarking methods for computing local sensitivities in ordinary differential equation models at dynamic and steady
Polina Lakrisenko1,2, Dilan Pathirana3, Daniel Weindl1,3
1Computational Health Center, Helmholtz Zentrum München Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH), Neuherberg, Germany.
Choosing the right methods for computing steady-state sensitivities is crucial for dynamic models. Combining numerical integration for steady states with tailored methods for sensitivities offers the most robust and efficient approach.
Area of Science:
- Computational modeling
- Systems biology
- Parameter estimation
Background:
- Estimating dynamic model parameters is computationally intensive.
- Steady-state computations are often required for model simulations.
- Selecting efficient methods for steady-state and gradient computation is unclear.
Purpose of the Study:
- To evaluate method pairs for computing steady-state and sensitivities.
- To identify robust and computationally efficient methods.
- To guide modelers in method selection.
Main Methods:
- Explored six method pairs for steady-state and sensitivity computation.
- Used numerical integration and Newton's method for steady states.
- Employed numerical integration and tailored methods for sensitivity analysis.
Main Results:
- All method pairs yielded accurate steady-state and gradient values.
- Method pairs combining numerical integration (steady-state) and tailored methods (sensitivities) were most robust and efficient.
- Newton's method for steady-state offered speedups but risked simulation failures.
Conclusions:
- No single method pair is universally best for computing steady-state sensitivities.
- Guidance is provided for selecting appropriate methods based on specific modeling problems.
- Optimizing computational efficiency and robustness in dynamic model analysis is achievable.
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