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overdetermined multimode inversion with model checking

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@Tanvir-Mahmud-Mahim Tanvir-Mahmud-Mahim released this 03 Sep 21:01
· 4 commits to main since this release
06e464a

New module multimode: the (strain, density) inversion for any number of Raman modes.

  • MultiModeModel.invert: per-pixel generalized-least-squares (Gauss-Markov) inversion, weighting each mode by its shift uncertainty; vectorized over whole maps.
    • Per-pixel goodness-of-fit: the weighted residual sum of squares is chi-square with (m - 2) degrees of freedom when the two-cause model holds, so the p-value map flags pixels where strain and doping alone cannot explain the measured shifts - something no exactly determined two-mode inversion can detect.
    • compare_mode_sets: expected-precision comparison of candidate mode subsets before an experiment.
    • Reduces exactly to the two-mode SeparationModel core at m = 2 (asserted to machine precision).
      Also: scipy declared as an explicit dependency; README Status and Roadmap reconciled with the release history.