. Author manuscript; available in PMC: 2020 Jul 10.

Published in final edited form as: J Phys Chem Lett. 2020 May 21;11(11):4392–4401. doi: 10.1021/acs.jpclett.0c00974

Table 1.

List of Mean Absolute Error (MAE), Pearson Correlation Coefficient (PCC), and ϵ_max Used in the Present Work^a

structure of TFs	ϵ_max	MAE (eV/atom)	PCC
p(β₀)+p(β₁)+p(β₂)	10	0.039	0.979
p(β₀)+p(β₁)+p(β₂)+p(PPI)	10	0.028	0.986
p(β₀)+p(β₁)+p(β₂)+d(PPI)	10	0.026	0.990
p(β₁)+p(β₂)+d(PPI)	10	0.031	0.981
bd(β₀)+bd(β₁)+bd(β₂)+d(PPI)	10	0.030	0.983
bpd(β₁)+bpd(β₁)+bpd(β₂)+d(PPI)	10	0.026	0.988
p(β₀)+p(β₁)+p(β₂)+d(PPI)	5	0.028	0.986
p(β₀)+p(β₁)+p(β₂)+d(PPI)	15	0.026	0.989

b(*), p(*), and d(*) represent the birth, the persistence, and the death of topological invariant *, respectively. Here, bd(*) represents b(*)+d(*) and bpd(*) represents b(*)+p(*)+d(*).