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. 2020 Jan 24;30(1):013141. doi: 10.1063/1.5126869

TABLE II.

The best candidates and the corresponding regression loss (L) for ut and vt with respect to the number of diffusion map coordinates.

Optimal intrinsic coordinates Regression loss (L)
ut vt ut vt
1d (ϕ5u) (ϕ2v) 4.60 × 10−04 7.69 × 10−06
2d (ϕ1u,ϕ5u) (ϕ1v,ϕ2v) 1.40 × 10−06 1.50 × 10−06
3d (ϕ1u,ϕ4u,ϕ5u) (ϕ1v,ϕ2v,ϕ3v) 2.18 × 10−08 4.74 × 10−08
4d (ϕ1u,ϕ3u,ϕ4u,ϕ5u) (ϕ1v,ϕ2v,ϕ3v,ϕ4v) 1.64 × 10−08 5.71 × 10−09