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We verified this result by comparing it with an independent, significantly more expensive calculation.
An iterative approach with a growing region around the estimated position is also possible, as the most expensive calculation is the matching process.
Such a procedure is especially useful when the descriptor values are derived from experimental measurement or require expensive calculation (for example, those derived from QM calculations).
If standard Monte Carlo is used in such media, particle histories will consist of many small steps, resulting in a computationally expensive calculation.
An alternative approach applicable for larger molecules is to use a series of high-level correlation calculations, such as QCISD(T), MP4 or CCSD(T), with moderate sized basis sets to approximate the result of a more expensive calculation.
In order to avoid difficulties of FEM (such as mesh problem, difficulty of coding, expensive calculation cost), this study focuses on the meshless methods, especially RBF-MFS and KANSA's method to solve the fixed boundary problem.
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This approach can thus require expensive calculations and parameter tuning.
A simplified calculation of the ASI is presented that accounts for physical limitations without performing computationally expensive calculations.
The applied global sensitivity and inverse analysis algorithms employ metamodeling technique in order to reduce the time which is needed for these computationally expensive calculations.
For computationally expensive calculations, graphics processing units (GPUs) can be used.
These methods do not require expensive calculations, which make them applicable to the analysis of very large data sets.
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