PCA for all 3600 microstructures

• Dimensionality for each microstructure reduced from 231525 (21x21x21x25) to 25

• First 25 principal components (significant) chosen for linkages

Property –

• Calculated in sample frame by solving equation

Regression to get structure-property linkages• Polynomial regression with LOOCV

• Number of PC and power of polynomial (n) can be varied to arrive at best linkage without overfit

All microstructures (R2 = 0.71) ….Number of PC =

25 , Power of polynomial (n) = 2 (for first 5 PC’s)