Hello,
I have a cluster expansion that has converged but I believe it may be overfitting the system. I used maps -d. It uses 40 clusters though 6 of them have ECIs that are equal to zero. I was wondering if there was some way for it to optimize the cluster expansion while constraining the maximum number of clusters its allowed to use.
You can create a file called nbclusters.in to force maps to use a specific number of clusters. See maps -h for details.
Note that there may be a logical reason for maps to use a certain number of clusters: perhaps it was the only way to reproduce the ground states in this system. If you instruct maps to ignore ground states in some composition range (you may not care about), you’ll get a shorter cluster expansion.
Note that the "0" ECI just mean that there are colinearities in the correlations, so some ECI can’t be determined. But if there are actually small (i.e. the cv score is small) then it’s not terrible.
Thank you,
that worked.