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. Author manuscript; available in PMC: 2021 Feb 26.
Published in final edited form as: Phys Chem Chem Phys. 2020 Feb 26;22(8):4343–4367. doi: 10.1039/c9cp06554g

Table 2:

The ranges of AGL hyperparameters for 5-fold cross-validations

Parameter Domain
τ {0.5, 1.0, …, 6}
δ {0.5, 1.0, …, 6} ∪ {10, 15, 20}
M {Adj, Lap, Inv}