Encapsulated Evolution Strategies for the Determination of Group Contribution Model Parameters in Order to Predict Thermodynamic Properties

@inproceedings{Geyer1998EncapsulatedES,
  title={Encapsulated Evolution Strategies for the Determination of Group Contribution Model Parameters in Order to Predict Thermodynamic Properties},
  author={Hannes Geyer and Peter Ulbig and Siegfried Schulz},
  booktitle={PPSN},
  year={1998}
}
The computation of parameters for group contribution models in order to predict thermodynamic properties usually leads to a multiparameter optimization problem. The model parameters are calculated using a regression method and applying certain error criteria. A complex objective function occurs for which an optimization algorithm has to find the global minimum. For simple increment or group contribution models it is often sufficient to use deterministically working optimization algorithms… CONTINUE READING

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