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

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.

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Cost of being outdated: It is important to stay up to date with software for security, compatibility, efficiency, and accessing enhancements and new features.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.

Press Release – Northwest Analytics Releases a Major Update to Quality Analyst®

NWA Quality Analyst 7.2NWA Quality Analyst 7.2 is scheduled for release in July 2024 and represents a significant upgrade to one of the leading statistical software control platforms in industry. As part of the new version, Northwest Analytics supports the models developed by the recently-released Pirouette 5.0, so the latest Infometrix technology can be utilized within the Quality Analyst SPC system.

NWA and Infometrix have worked together for over a decade to create a fully integrated solution for multivariate modeling and SPC charting that overcomes many of the barriers to the adoption of multivariate process monitoring and improvement techniques. NWA Quality Analyst’s new multivariate SPC module simplifies the data collection, model-building, and deployment process for off-line and real-time applications.

The combination of Quality Analyst’s connectivity and ease-of-use with Infometrix Pirouette’s industry-leading multivariate analysis capabilities provides a complete, integrated, multivariate modeling and SPC analytics solution. This seamless integration of NWA Quality Analyst and Infometrix Pirouette unifies multivariate modeling and SPC charting and analysis.

Multivariate models produced by Pirouette are incorporated into Quality Analyst Data Set definitions, simplifying analysis and reporting. The same Data Set and database connection is used for model building and ongoing univariate and multivariate SPC charting and analysis. Data Sets can be connected to any industrial or laboratory database and can contain a combination of model and non-model variables, simplifying data structures, analysis, and reporting. Real-time multivariate SPC is provided by NWA Quality Analytics Server using the same Data Sets and model definitions created for off-line SPC charting and analysis.

LARTC 2024 – Find us at booth 52

Venue:
September 3-5, 2024
Cartagena, Colombia

Booth: 52

Latin American Refining Technology Conference (LARTC) is the number one downstream event in Latin America where major refiners will gather to network and share the latest in technology and collaboration opportunities. Infometrix will be at booth #52. Come visit us as we share solutions to save time, resources, and to reduce manual workload. Eliminating retention time shifts in chromatography and automating calibration for optical spectrometers to enable better models and optimize use of personnel will be the focus. We look forward to seeing you. LARTC 2024