Dear Tom,
Here is an example of data, python script generated from mantid fitting (sent as txt as our mailing system does not like sending .py file) and a plot that shows how bad the fit is, although mantid believe this is a perfectly acceptable fit.
If you get the starting parameters near spot on, it will eventually refine.
This is trying to fit a back to back expo, typical of time of flight data on a diffractometer (but I have seen similar things with simple gaussian!)
Other programs (also using LM methods) do a good job. in particular, the python fitting routines seem to do the job.
Hope this helps,
P
Dr Pascal Manuel
ISIS Pulsed Neutron and Muon Facility
STFC Rutherford Appleton Laboratory
Chilton
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United Kingdom
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________________________________
From: Hampson, Thomas (STFC,RAL,ISIS) <thomas.hampson(a)stfc.ac.uk>
Sent: Wednesday, November 22, 2023 5:32 PM
To: ISIS Instrument Scientist <ISISInstsci(a)stfc.ac.uk>
Cc: Foxley, Sarah (STFC,RAL,ISIS) <sarah.foxley(a)stfc.ac.uk>; Farooq, Rabiya (STFC,RAL,ISIS) <Rabiya.Farooq(a)stfc.ac.uk>; Haigh, Jonathan (STFC,RAL,ISIS) <Jonathan.Haigh(a)stfc.ac.uk>
Subject: RE: Mantid fitting engine replacement
Hi All,
Many thanks to those of you who have replied so far with examples that demonstrate the limitations of our current fitting framework. I will respond to you individually shortly to make sure I have enough information to add them to the fitbenchmarking dataset.
If anyone else has any examples of problems they’ve had with fitting in Mantid then I would be grateful for your response. More data will help us make a better informed decision about the potential replacement of the fitting engine.
Regards,
Tom Hampson
From: Hampson, Thomas (STFC,RAL,ISIS)
Sent: 08 November 2023 12:38
To: ISIS Instrument Scientist <ISISInstsci(a)stfc.ac.uk>
Cc: Foxley, Sarah (STFC,RAL,ISIS) <sarah.foxley(a)stfc.ac.uk>; Farooq, Rabiya (STFC,RAL,ISIS) <Rabiya.Farooq(a)stfc.ac.uk>; Haigh, Jonathan (STFC,RAL,ISIS) <jonathan.haigh(a)stfc.ac.uk>
Subject: Mantid fitting engine replacement
Dear ISIS Instrument Scientists,
We are in the process of evaluating potential replacements for the Mantid fitting engine and need your input. We are seeking real examples that will help us quantify the limitations of the current engine.
Specifically, we would appreciate your feedback on any issues you've encountered with the Mantid fitting engine, such as:
- Sensitivity to initial parameter values
- Slow performance
- Getting stuck in local minima
To assist us in this evaluation, please provide examples with the following information:
- Fit function used
- Data used in the fit
- Fit range
- Initial parameter values
- Any additional information you believe is relevant
The data you provide will be used with the FitBenchmarking tool, maintained by RSE in ISIS. This will help us determine whether there is a more suitable replacement.
We also welcome any general feedback on the fitting in Mantid and the fitting interface.
The deadline for your input is the end of November.
Your contributions will greatly assist us in making informed decisions about the future of the Mantid fitting engine.
Thank you for your assistance.
Sincerely,
Tom Hampson (on behalf of the Mantid team)
Hi All,
This is the invite for the next MPB meeting, the agenda can be found here<https://stfc365.sharepoint.com/:f:/r/sites/MantidProgrammeBoard/Shared%20Do…>
All the best,
Jonathan
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From: Hampson, Thomas (STFC,RAL,ISIS) <thomas.hampson(a)stfc.ac.uk>
Sent: 08 November 2023 12:38
To: ISIS Instrument Scientist <ISISInstsci(a)stfc.ac.uk>
Cc: Foxley, Sarah (STFC,RAL,ISIS) <sarah.foxley(a)stfc.ac.uk>; Farooq, Rabiya (STFC,RAL,ISIS) <Rabiya.Farooq(a)stfc.ac.uk>; Haigh, Jonathan (STFC,RAL,ISIS) <Jonathan.Haigh(a)stfc.ac.uk>
Subject: Mantid fitting engine replacement
Dear ISIS Instrument Scientists,
We are in the process of evaluating potential replacements for the Mantid fitting engine and need your input. We are seeking real examples that will help us quantify the limitations of the current engine.
Specifically, we would appreciate your feedback on any issues you've encountered with the Mantid fitting engine, such as:
- Sensitivity to initial parameter values
- Slow performance
- Getting stuck in local minima
To assist us in this evaluation, please provide examples with the following information:
- Fit function used
- Data used in the fit
- Fit range
- Initial parameter values
- Any additional information you believe is relevant
The data you provide will be used with the FitBenchmarking tool, maintained by RSE in ISIS. This will help us determine whether there is a more suitable replacement.
We also welcome any general feedback on the fitting in Mantid and the fitting interface.
The deadline for your input is the end of November.
Your contributions will greatly assist us in making informed decisions about the future of the Mantid fitting engine.
Thank you for your assistance.
Sincerely,
Tom Hampson (on behalf of the Mantid team)
Edit: Updated the Kanban board link
Important: We have booked R3 G34 for this meeting
Hi all,
This is a meeting specifically focusing on the prioritization of Epics on the Mantid Programme Kanban board. Please remember to add any comments to the Epics prior to this meeting.
https://isisneutronmuon.atlassian.net/jira/software/c/projects/SS/boards/5
Kind Regards,
Rob
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Important: We have booked R3 G34 for this meeting
Hi all,
This is a meeting specifically focusing on the prioritization of Epics on the Mantid Programme Kanban board. Please remember to add any comments to the Epics prior to this meeting.
https://test-jira-3.atlassian.net/jira/software/c/projects/SS/boards/4?atlO…
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Hi everyone,
You can access the epic board via this link<https://isisneutronmuon.atlassian.net/jira/software/c/projects/SS/boards/5>
Please review the two epics that you can see in the "Analysis" column. Both of them are epics you have reviewed before, we have updated the descriptions to address the comments received.
In addition to that we would like to get some early feedback on two new epics that we are working on to improve the quality and release frequency of Mantid. These two epics are still being worked on, so the descriptions are not finalized.
1. Faster production-ready releases<https://isisneutronmuon.atlassian.net/browse/SS-41>: Aims to increase the frequency of Mantid releases.
2.
Enhancements to Mantid Error Reporting<https://isisneutronmuon.atlassian.net/browse/SS-42>: This aims to improve the error reporting of Mantid so that we can increase the % of fixes we do from the reports we get. It also aims to provide better communication about bug fix progress to people who report them.
Sharing your thoughts(as comments) on these will help us shape these epics for the better.
Also, regarding Jira notifications, the default behaviour is you will automatically get notifications about changes to an Epic if you have previously edited its content or added a comment. I can disable this behaviour if notifications have become an inconvenience for you.
If you want to unsubscribe notifications from a specific Epic, please take a look at the instructions attached.
Thank you.
--
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Morning All,
I see lots of activity updating the epics on the Kanban board ahead of our meeting on Nov 15. Which is good.
But presumably, ahead of the meeting, we are all going to be expected to have reviewed them (or at least a subset)? So I have two questions:
1) Which epics will require reviewing (which columns), and;
2) How much notice are we going to get that they are ready for review? Last meeting we were barely given two working days which was too short...
Perhaps we could agree an Epic Freeze date?
Steve
Dear all,
Following on from our discussions around communication regarding deprecating algorithms in Mantid I've added Communication as a discussion point under AOB on the agenda for the 22nd November.
From my point of view it is not just communicating about deprecating algorithms that needs working out. I'm mindful that both developers and users are making assumptions about how the other side are working with the communication channels currently available. Inevitably these assumptions are wrong.
One example of this is the error reporter. Did you know that very few of the error reports submitted provide developers with enough information to investigate? More often than not without enough contact details (i.e. an e-mail address) to ask for more information we cannot do anything with the reports. For example we received around 216 error reports in September. We are unable to quantify how many we were able to respond to (we currently don't have a way of recording this) however I would estimate it's likely to be less than 20% if not in fact lower.
I feel that if we don't get our communication right then users will continue to get frustrated by the lack of information, lack of progress with fixing/improving the software and ultimately stop using Mantid altogether.
I would very much value being able to discuss this further with you all on the 22nd November.
All the best
Sarah
Sarah Foxley
Mantid Team Leader and Mantid Project Manager
Science and Technology Facilities Council
Phone - 01235 446938
sarah.foxley(a)stfc.ukri.org<mailto:sarah.foxley@stfc.ukri.org>
She/Her/Hers
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Dear all,
Several of us are currently attending the Mantid Developer meeting at SNS. One of the things that has come up is deprecating algorithms that are no longer in use. The first step is to put together a policy for how we do it. This will include things like steps to take to ensure an algorithm is suitable for deprecation and how long we leave between initial deprecation notice and removal.
It strikes me that I don't feel I have an adequate grasp of how we are communicating with our users at ISIS. As far as I'm aware we have the announcements e-mail list (but not sure who looks at these e-mails), the forum (which is rarely used) and sub team leads meeting/e-mailing their contacts. I also know information like deprecations are in the release notes/help but are people seeing this and are these methods a little late in the process?
I'm wondering if there are other informal ways we've been communicating? Are there better ways we could get news out?
Rather than trying to discuss this via e-mail is this something we can discuss at our MPB meeting on 22nd November?
Thanks
Sarah
Sarah Foxley
Scientific Software Engineer & Mantid Project Manager
Science and Technology Facilities Council
Phone - 01235 446938
sarah.foxley(a)stfc.ukri.org<mailto:sarah.foxley@stfc.ukri.org>
She/Her/Hers
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