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Adjustments to Software Settings Jeremy Dyson Basel, Switzerland

Adjustments to Software Settings Jeremy Dyson Basel, Switzerland. „Optimisation is the science of selecting the best of many possible decisions in a complex real-life environment“ Mordecai Avriel Nonlinear Programming. Why Are Adjustments Necessary?. Optimisation.

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Adjustments to Software Settings Jeremy Dyson Basel, Switzerland

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  1. Adjustments to Software Settings Jeremy Dyson Basel, Switzerland

  2. „Optimisation is the science of selecting the best of many possible decisions in a complex real-life environment“ Mordecai Avriel Nonlinear Programming Why Are Adjustments Necessary?

  3. Optimisation • Minimise the Value of the Function • N • [Data Valuei – Modelled Valuei]2 i = 1 • When the function is solved numerically (normally) rather than analytically, this means that the solution is only as exact as you make it, and it depends on: • Search method, e.g. Marquardt algorithm, for the solution • Settings for search method, including initial parameter values • How the modelled values are calculated • Settings to finish the search, i.e. an acceptable solution • Settings may need adjusting to find global minimum

  4. ModelMaker – Marquardt Settings • Convergence Change • The size of a convergence step (0.1) • Convergence Steps • Number of convergence step before optimisation stops (50) • Retry Count • Number of times optimisation retries convergence steps (50) • Initial Lamda • Initial value determines „initial steepness“ of the search (0.01) • Minimum Change • Minimum change in Lambda (0.00001) • Fractional Change • Fractional change in Lambda (0.01)

  5. ModelMaker – Simulated Annealing • Why is it needed? • If the Marquardt Settings cannot find the global minimum • When is it likely to be needed? • Initial parameter values inappropriate • Model has a complex minimisation function, e.g. HS kinetics • What does it do? • Tries many combinations of initial parameter values

  6. Acknowledgement Dr Rene Oscar Kühne for teaching me ModelMaker

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