Alternating least squares regression
Term · Chemistry · MLC-T-CHM-000456
An iterative computational method for resolving multivariate data into a set of underlying contributions or factors. The algorithm alternates between fixing one set of parameters (for example, concentrations) and solving for the other (for example, spectra) using a least squares fit, repeating the process until the solution converges. This technique is widely applied in chemometrics for mixture analysis, such as determining the pure component spectra from a series of mixture spectra.
| Identifier | MLC-T-CHM-000456 |
|---|---|
| Field | Chemistry |
| Subject | Analytical Chemistry |
| Synonyms | alternating regression |
| References | PAC, 2016, 88, 407. 'Vocabulary of concepts and terms in chemometrics (IUPAC Recommendations 2016)' on page 417 (https://doi.org/10.1515/pac-2015-0605) |
| See also | Multivariate data |
Record as JSON
{
"id": "MLC-T-CHM-000456",
"term": "Alternating least squares regression",
"field": "Chemistry",
"definition": "An iterative computational method for resolving multivariate data into a set of underlying contributions or factors. The algorithm alternates between fixing one set of parameters (for example, concentrations) and solving for the other (for example, spectra) using a least squares fit, repeating the process until the solution converges. This technique is widely applied in chemometrics for mixture analysis, such as determining the pure component spectra from a series of mixture spectra.",
"synonyms": [
"alternating regression"
],
"subject": "Analytical Chemistry",
"see_also": [
"multivariate data"
],
"references": [
"PAC, 2016, 88, 407. 'Vocabulary of concepts and terms in chemometrics (IUPAC Recommendations 2016)' on page 417 (https://doi.org/10.1515/pac-2015-0605)"
],
"url": "https://mlchart.com/terminology/chemistry/alternating-least-squares-regression/"
}
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