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Talk at QUT on Friday August 7

August 6, 2015

Title: Lorentzian mixture model for Raman spectroscopy

Speaker: Matt Moores (University of Warwick, UK)

Date: Friday 7 August 2015

Time: 3:00pm – 4:00pm

Location: O603, Gardens Point Campus, Queensland University of Technology

Abstract: Surface-enhanced resonance Raman scattering (SERRS) is an optical spectroscopic technique for identifying labelled molecules. A SERRS signal can be represented as a mixture of Lorentzian peaks plus a smoothly-varying baseline due to background fluorescence. The multivariate observations are thus highly collinear and lend themselves to a reduced-rank representation. We introduce a sequential Monte Carlo algorithm for joint estimation of the baseline and peaks. Our model-based approach accounts for batch effects between technical replicates. By analysing a large number of Raman-active dyes with similar chemical structure, we can characterise how structural differences are represented as changes in the spectral signature. Our model can be used for identification and quantification of dye labels in a multiplex, as well as hierarchical clustering of dyes according to structural similarity.

This is joint work with Mark Girolami (Warwick), Kirsten Gracie, Karen Faulds and Duncan Graham (U. Strathclyde).

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