Is there a way to run the optimisation tool on Vector (1darray) data? The help feature says Scalar data only, however, there must be a workaround for this?

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Simply add each item of the vector as a scalar.
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I don't understand. You want to set up an optimization with 100 optimization variables? This means you are trying to find an optimum in a 100 dimensional space. Not realistically possible. There will be no global optimum for such a problem that could easily be found. There will be an infinite number of similar optima. And even if one did exist (unlikely), it would require tens or thousands of runs to find it. In general, global optimization of a simulation model is really only feasible if you have a small number (e.g., 10 or less) optimization variables.

hey Rick, we have an array of species data (concentrations of different contaminants) that we've set up in a dashboard so that the user can change the value, and then it runs through a treatment process to reach a target value (after treatment).
We now want to calculate the maximum concentrations that we can accept for each contaminant (within the vector array), ideally using the optimization tool or some other method, to achieve the target discharge values (after treatment).
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