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Profile likelihood
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Module: core/profile_likelihood.py
GUI integration: discrete fit panel → Errors → Profile likelihood
The 1σ errors from Gaussian covariance (core/fit_engine.py, §Covariance)
assume that the cost surface is quadratic around the optimum. For parameters
with active bounds, strong correlations or asymmetric cost curves, that
approximation can be pessimistic or even incorrect. Profile likelihood gives
exact intervals (for the given model and statistical weights) without assuming
quadraticity.
Let
i.e., the minimum of the cost with respect to all other parameters, with
follows (asymptotically) a
For each free parameter
Given the array of scanned values
in the segment where None (parameter at a bound or ill-conditioned).
from core.profile_likelihood import asymmetric_intervals
result = asymmetric_intervals(scan_values, d_chi2, best_value)
# result: {"minus_1s": float|None, "plus_1s": float|None,
# "minus_2s": float|None, "plus_2s": float|None}The returned values are positive distances from the optimum to the crossing:
| Aspect | Covariance (Gaussian) | Profile likelihood |
|---|---|---|
| Assumption | Quadratic cost | None (asymptotic) |
| Computational cost | Low (SVD of final Jacobian) | High (N_scan × refit per parameter) |
| Valid with active bounds | No (underestimates error) | Yes |
| Strong correlations | Can be unreliable | Captured implicitly |
| Interval asymmetry | No (symmetric) | Yes |
- Parameters with active bounds (e.g. depth near 0, BHF near its minimum).
- Doublet with small quadrupole splitting (high δ–ΔEQ correlation).
- Sextets with free intensities correlated with depth.
- Whenever parametric bootstrap and covariance give very different results.
-
core/profile_likelihood.pycontains only pure functions (no GUI or Qt dependency). - The scan is launched from the GUI using threads to avoid blocking the interface.
- Profile results are shown in the diagnostics panel and included in the PDF report if the corresponding option is enabled.
- If
$\Delta\chi^2$ never exceeds the level (flat curve), the parameter may be non-identifiable or at an active bound: interpret with caution.
© Jorge Sánchez Marcos, Nieves Menéndez González — Departamento de Química Física, UAM · Wiki generado desde docs/ para Fitbauer v5.0.0
Fitbauer v5.0.0
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