Comparison of swarm intelligence optimization with nonnegative weighted least squares for Raman spectra estimation

Nisha Srinivas; Mahendra Mallick; Lisa Ann Osadciw

doi:10.1117/12.850587

15 April 2010 Comparison of swarm intelligence optimization with nonnegative weighted least squares for Raman spectra estimation

Nisha Srinivas, Mahendra Mallick, Lisa Ann Osadciw

Author Affiliations +

Proceedings Volume 7698, Signal and Data Processing of Small Targets 2010; 769817 (2010) https://doi.org/10.1117/12.850587
Event: SPIE Defense, Security, and Sensing, 2010, Orlando, Florida, United States

Abstract

Raman spectroscopy is a powerful technique for determining the chemical composition of a substance. Our objective is to determine the chemical composition of an unknown substance given a reference library of Raman spectra. The unknown spectrum is expressed as a linear combination of the reference library spectra and the non-zero mixing coefficients represent the presence of individual substances, which are not known. This approach is known as the supervised learning method. The mixing coefficients are usually estimated using the nonnegative least squares (NNLS) or nonnegative weighted least squares (NNWLS). This problem is a constrained estimation problem due to the presence of the nonnegativity constraint. In this paper, we present a swarm based algorithm, the particle swarm optimization (PSO), to estimate the mixing coefficients and Raman spectra. The PSO is used to determine the mixing coefficients. PSO efficiently finds an optimum solution. Results are presented for simulated data obtained from the Jennifer Kelly Raman spectra library. The reference library consists of Raman spectra for nine minerals and the measured spectrum is simulated by using spectrum/spectra of single/multiple minerals. We compare the root mean square error (RMSE) for parameter estimation and measurement residual and computational time of the NNWLS and nonnegative weighted PSO (NNWPSO) algorithms.

Citation Download Citation

Nisha Srinivas, Mahendra Mallick, and Lisa Ann Osadciw "Comparison of swarm intelligence optimization with nonnegative weighted least squares for Raman spectra estimation", Proc. SPIE 7698, Signal and Data Processing of Small Targets 2010, 769817 (15 April 2010); https://doi.org/10.1117/12.850587

ACCESS THE FULL ARTICLE

INSTITUTIONAL
Select your institution to access the SPIE Digital Library.

SELECT YOUR INSTITUTION

PERSONAL
Sign in with your SPIE account to access your personal subscriptions or to use specific features such as save to my library, sign up for alerts, save searches, etc.

PERSONAL SIGN IN

No SPIE Account? Create one

PURCHASE THIS CONTENT

SUBSCRIBE TO DIGITAL LIBRARY

50 downloads per 1-year subscription

Members: $195

Non-members: $335 ADD TO CART

25 downloads per 1 - year subscription

Members: $145

Non-members: $250 ADD TO CART

PURCHASE SINGLE ARTICLE

Includes PDF, HTML & Video, when available