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Title: Methods for spectral image analysis by exploiting spatial simplicity

Patent ·
OSTI ID:1014729

Several full-spectrum imaging techniques have been introduced in recent years that promise to provide rapid and comprehensive chemical characterization of complex samples. One of the remaining obstacles to adopting these techniques for routine use is the difficulty of reducing the vast quantities of raw spectral data to meaningful chemical information. Multivariate factor analysis techniques, such as Principal Component Analysis and Alternating Least Squares-based Multivariate Curve Resolution, have proven effective for extracting the essential chemical information from high dimensional spectral image data sets into a limited number of components that describe the spectral characteristics and spatial distributions of the chemical species comprising the sample. There are many cases, however, in which those constraints are not effective and where alternative approaches may provide new analytical insights. For many cases of practical importance, imaged samples are "simple" in the sense that they consist of relatively discrete chemical phases. That is, at any given location, only one or a few of the chemical species comprising the entire sample have non-zero concentrations. The methods of spectral image analysis of the present invention exploit this simplicity in the spatial domain to make the resulting factor models more realistic. Therefore, more physically accurate and interpretable spectral and abundance components can be extracted from spectral images that have spatially simple structure.

Research Organization:
Sandia National Laboratories (SNL), Albuquerque, NM, and Livermore, CA (United States)
Sponsoring Organization:
USDOE
DOE Contract Number:
AC04-94AL85000
Assignee:
Sandia Corporation (Albuquerque, NM)
Patent Number(s):
7,840,626
Application Number:
US Patent Application 12/702,934
OSTI ID:
1014729
Country of Publication:
United States
Language:
English

References (6)

An Overview of Analytic Rotation in Exploratory Factor Analysis journal January 2001
Improving the speed of multiway algorithms journal August 1998
Accounting for Poisson noise in the multivariate analysis of ToF-SIMS spectrum images journal March 2004
Methods of varimax rotation in factor analysis with applications in clinical and food chemistry journal January 1989
Fast algorithm for the solution of large-scale non-negativity-constrained least squares problems journal October 2004
Learning the parts of objects by non-negative matrix factorization journal October 1999

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