Fig. 4: Reconstructed interparticle potentials and scattering functions.
From: A machine learning inversion scheme for determining interaction from scattering
Panels a–c present examples of VHSY(r) calculated based on ϕ, κ, and A given Fig. 3. The references used in computer simulations and those determined by ML inversion are presented in dashed and solid curves, respectively. The magnitude of uncertainties calculated based on the errors in Fig. 3 are represented by the shaded regions. The color scheme is the same as that of Fig. 3. Panels d–f give the reconstructed S(Q) (insets) and I(Q) calculated from three highly correlated systems (yellow curves in panels a–c) and upper right most points in Fig. 3). Both computationally generated reference S(Q) and I(Q) (black dashed curves) and their ML reconstructions (red solid curves) are indistinguishable within the scales used in these plots.
