Ticket #5837 (closed: duplicate)
Implement a stochastic approach for optimization in Le Bail Fit
| Reported by: | Wenduo Zhou | Owned by: | Wenduo Zhou |
|---|---|---|---|
| Priority: | major | Milestone: | Release 2.4 |
| Component: | Mantid | Keywords: | |
| Cc: | petersonpf@… | Blocked By: | |
| Blocking: | Tester: | Nick Draper |
Description
Le Bail Fit requires the starting value of peak profile and instrument geometry parameters to fit to be close to real values. For instrument calibration for POWGEN, the starting values of the parameters can be far off. The standard GSL minimizers are not able to obtain good fits.
Implement a new algorithm that will do random walk on parameter space for global minimum or at least lowest local minimums in defined region.
Change History
comment:2 Changed 8 years ago by Wenduo Zhou
Enhance to support random walk. Refs #5837.
Changeset: 1d40bb2b78aee5c383ced3c261d8ea71c5229eee
comment:3 Changed 8 years ago by Wenduo Zhou
Separate orig. algorithm to 2 steps. Refs #5837.
(1) Separate peak fitting in RefinePowderInstrumentParameters to
a new algorithm FitPowderDiffPeaks.
(2) Add and fix unit tests for both.
(3) Enhance the peak fitting algorithm used in FitPowderDiffPeaks.
Changeset: dbc5a9ccd181efdc09c42cee6bae9f786c591c2f
comment:4 Changed 8 years ago by Wenduo Zhou
Improve standard error calculation. Refs #5837.
Changeset: f92fd83ac52e8035ecb6f4644f70a8c48fc3877e
comment:5 Changed 8 years ago by Nick Draper
- Milestone changed from Release 2.3 to Release 2.4
moved to Release 2.4
comment:6 Changed 8 years ago by Wenduo Zhou
Enhance to support random walk. Refs #5837.
Changeset: 1d40bb2b78aee5c383ced3c261d8ea71c5229eee
comment:7 Changed 8 years ago by Wenduo Zhou
Separate orig. algorithm to 2 steps. Refs #5837.
(1) Separate peak fitting in RefinePowderInstrumentParameters to
a new algorithm FitPowderDiffPeaks.
(2) Add and fix unit tests for both.
(3) Enhance the peak fitting algorithm used in FitPowderDiffPeaks.
Changeset: dbc5a9ccd181efdc09c42cee6bae9f786c591c2f
comment:8 Changed 8 years ago by Wenduo Zhou
Improve standard error calculation. Refs #5837.
Changeset: f92fd83ac52e8035ecb6f4644f70a8c48fc3877e
comment:9 Changed 8 years ago by Wenduo Zhou
Make more robust. Refs #5837.
Changeset: b0dcfc8bd9d6cbb5d20f1ccb983a31f268cdeccc
comment:10 Changed 8 years ago by Wenduo Zhou
Add an algorithm to calculate Zscore to a workspace. Refs #5837.
Changeset: 42ed281f46b6f64cc18ff9225900ff868edc9831
comment:11 Changed 8 years ago by Wenduo Zhou
Fix a bug. Refs #5837.
Changeset: 17d24e5e7e706200ae53dbecca50c71ca68a02c0
comment:12 Changed 8 years ago by Wenduo Zhou
Add minimizer. Refs #5837.
Changeset: 1a7f54f86b97e210dacf48eb10b39464054b1590
comment:13 Changed 8 years ago by Wenduo Zhou
Fix a bug. Refs #5837.
Changeset: f8842114661ffebcb98ebd517e53f9cc2e4a39ca
comment:14 Changed 8 years ago by Wenduo Zhou
Add auto-adjusted annealign temperature. Refs #5837.
Changeset: 3f35f781bdcdfd9937340c0088a17e83a96bf659
comment:15 Changed 8 years ago by Wenduo Zhou
Enhance simulated annealing. Refs #5837.
Changeset: 85f2d0f75a91550ac4478d6dc671a692396d4702
comment:16 Changed 8 years ago by Wenduo Zhou
Define a shared pointer to Chebyshev function. Refs #5837.
Changeset: 28a21ec0fbeabf4cac8631beb75852bd1bfc7a0d
comment:17 Changed 8 years ago by Wenduo Zhou
Add more output. Refs #5837.
Changeset: 542d46807c6ba0de21800c218ed4b612865df9e9
comment:18 Changed 8 years ago by Wenduo Zhou
Add more output. Refs #5837.
Changeset: 7cf0734027ee8f72bdcf9cbdafce7935304149eb
comment:19 Changed 8 years ago by Wenduo Zhou
Make more robust. Refs #5837.
Changeset: b0dcfc8bd9d6cbb5d20f1ccb983a31f268cdeccc
comment:20 Changed 8 years ago by Wenduo Zhou
Add an algorithm to calculate Zscore to a workspace. Refs #5837.
Changeset: 42ed281f46b6f64cc18ff9225900ff868edc9831
comment:21 Changed 8 years ago by Wenduo Zhou
Fix a bug. Refs #5837.
Changeset: 17d24e5e7e706200ae53dbecca50c71ca68a02c0
comment:22 Changed 8 years ago by Wenduo Zhou
Add minimizer. Refs #5837.
Changeset: 1a7f54f86b97e210dacf48eb10b39464054b1590
comment:23 Changed 8 years ago by Wenduo Zhou
Fix a bug. Refs #5837.
Changeset: f8842114661ffebcb98ebd517e53f9cc2e4a39ca
comment:24 Changed 8 years ago by Wenduo Zhou
Add auto-adjusted annealign temperature. Refs #5837.
Changeset: 3f35f781bdcdfd9937340c0088a17e83a96bf659
comment:25 Changed 8 years ago by Wenduo Zhou
Enhance simulated annealing. Refs #5837.
Changeset: 85f2d0f75a91550ac4478d6dc671a692396d4702
comment:26 Changed 8 years ago by Wenduo Zhou
Define a shared pointer to Chebyshev function. Refs #5837.
Changeset: 28a21ec0fbeabf4cac8631beb75852bd1bfc7a0d
comment:27 Changed 8 years ago by Wenduo Zhou
Add more output. Refs #5837.
Changeset: 542d46807c6ba0de21800c218ed4b612865df9e9
comment:28 Changed 8 years ago by Wenduo Zhou
Add more output. Refs #5837.
Changeset: 7cf0734027ee8f72bdcf9cbdafce7935304149eb
comment:29 Changed 8 years ago by Wenduo Zhou
- Status changed from accepted to verify
- Resolution set to duplicate
The Python script to do Le Bail fit with Monte Carlo random walk algorithm is too slow to be practical for users. It can only serve as a proof of concept. The effort to work on this Python script is discontinued.
An alternative approach to implement it in algorithm LeBailFit (C++) has been started. It is a duplicate to ticket #6019. Therefore, ticket #5837 will be resolved as 'duplicate'.
comment:30 Changed 8 years ago by Nick Draper
- Status changed from verify to verifying
- Tester set to Nick Draper
comment:32 Changed 5 years ago by Stuart Campbell
This ticket has been transferred to github issue 6683
