Figure 5
Performances of the PL method compared with the DFT method. (a) Comparison of the calculation speeds of the learning method (cyan) and DFT (yellow) as a function of the number of electrons in the alloy systems. The learning method scales as O(1), indicating no dependence on the system size, whereas the DFT scales as O(N3). The calculation times for 1 core of CPU time and 80 alloy systems were considered. (b) The pattern similarity (σ) of the learning method for 10 test alloys in various binary alloy systems: Cu-Ni, Cu-Ru, Cu-Pd, Cu-Pt, Ni-Ru, Ni-Pd, Ni-Pt, Ru-Pd, Ru-Pt, and Pd-Pt. The yellow region is highlighted to show the ρ range of our learning model (91~98%).
