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Automating the Optimization of Locally Weighted Models is a Solution

Automation of Local Regression Model Building for Spectroscopic Data, JChem2024 Pell et alA calibration model tends to improve as additional calibration samples are added to the library. If the samples reflect variation in the chemical composition, the model then expands its zone of relevance. Ultimately, as these new zones expand calibration scope, the model can degrade in performance due to nonlinearities and may require adding to the model rank, which can make the model fragile. Building local models is one answer to gain the best of both worlds, but optimizing a locally weighted model is tricky and time consuming. Automating the optimization of locally weighted models is a solution.

http://doi.org/10.1002/cem.3637

For additional information or questions, contact info@infometrix.com.

#chemometrics #LWR #spectroscopy #regression

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AnalytiX 2025 – 11th Annual Conference

AnalytiX 2025 Conference
AnalytiX, initiated from 2012, has been successfully organized in Beijing, Suzhou, Dalian, Nanjing, Fukuoka, Miami, Singapore, Osaka, and Nagoya, and it has attracted more than 3,000 participants from over 50 countries and regions since the first year. This event is an international event focusing on the fields of analytic chemistry, providing a platform for all experts to promote scientific knowledge and ideas.

 

Website:  https://www.bitcongress.com/analytix2025/default.asp
Date: April 23-25, 2025
Venue: Nara Prefectural Convention Center
Program: https://www.bitcongress.com/analytix2025/ScientificProgram.asp

 

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SciX 2024 – PAT-05.1 – Recasting Chemometrics for a Machine Learning World

Venue: Raleigh Convention Center Date: Oct. 25, 2024 Time: 3:50pm – 4:10pm EST USA Time Location: 302C Presented by: Brian Rohrback, President, Infometrix, Inc. Abstract: Chemometrics has played a critical role in the supervised learning realm by supplying multivariate tools to extract information content from streams of data. Machine learning is not new, enjoying origins in the 1950s as applied to game theory. At its core, the purpose is to replace a human-centered process with software that can adapt to new inputs in an optimal, sometimes novel, way. Adapting chemometrics to fit the machine learning paradigm necessitates applying the tools of the trade in a fully automated way and, in quality assurance applications, the focus needs to be on spectroscopy (optical, magnetic, mass) and chromatography; these are the most direct measures of chemistry in the system under management. This paper shines light on the process of integrating machine learning and chemometrics for analytical instruments. Register at SciX 2024.
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IFPAC 2025 – Save the Date

IFPAC 2025
Date: March 2-5, 2025
Venue:  Washington, D.C.
website: www.ifpacglobal.org

If you are interested in keeping abreast of the interactions of chemometrics, analytical instrumentation, and data processing (particularly as it relates to the bio and pharma world) this is the place to go.

If you have an interesting application in chemometrics, machine learning, or information architecture, contact us at info@infometrix.com.

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Stay Up to Date: Pirouette 5.0

Cost of being outdated: It is important to stay up to date with software for security, compatibility, efficiency, and accessing enhancements and new features. Pirouette 5.0 was released over a year ago and our upgrade offer will end on October 31st. Our Release Note which is included in the demo download and through the link here, provides the latest features and enhancements. Download the demo for a review or contact us for questions, quote or comments at info@infometrix.com.