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Figure 2
Histogram of R2 across ∼1200 datasets for two spectrum fitting tasks. Top: initial spectrum fitting task (random parameter initialization) results. Bottom: elemental amplitude refinement task (further fitting with parameters initialized to fitted values) results. In each subplot, MapsTorch (in pink color, AD + Adam approach) and NLopt (in purple color, finite difference + traditional nonlinear optimizer approach) R2 histograms are compared. |
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