Dear Jon,
thanks a lot for the AI autonomous labs links, very interesting (but
not much surprising?).
Definitely, a lot of (educational) work must be done on methods, even
for well introduced and widely used ones. For QPA full profile fitting
by any Rietveld software, there are many outcomes from the IUCr Round
robins and, more recently, for of the CMS Reynolds Cup,
https://link.springer.com/article/10.1346/CCMN.2017.064054
Raven & Self stated:
"The Rietveld method is the most popular technique of choice among
participants, which is also reflected in the number of successful
participants who gained the top three places and indeed the ultimate
winners. The competition has also shown that participants using the
same software can produce some extraordinarily bad results when used
incorrectly or inappropriately. This is certainly the case for
participants who used the Rietveld method with an
overly large proportion of the worst performers using this technique."
Regarding the "automated mineralogy" community, I don't think their
crisis is related purely to blind trusting in AI based methods. There
must be also a general lack in education about the basics of analytics
and chemometry.
Greetings
Reinhard
Zitat von Jonathan WRIGHT <wri...@esrf.fr>:
On 17/01/2024 09:40, Reinhard Kleeberg wrote:
"Automated mineralogy"
Dear Colleagues,
It sounds like there crisis for this community? I didn't see anyone
mention the AI story that was also in the news:
https://www.chemistryworld.com/news/new-analysis-raises-doubts-over-autonomous-labs-materials-discoveries/4018791.article
https://chemrxiv.org/engage/chemrxiv/article-details/65957d349138d231611ad8f7
Perhaps there is still a lot of interesting work to be done on methods?
With best regards,
Jon
--
TU Bergakademie Freiberg
Dr. R. Kleeberg
Mineralogisches Labor
Brennhausgasse 14
D-09596 Freiberg
Tel. ++49 (0) 3731-39-3244
Fax. ++49 (0) 3731-39-3129
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