Melvin's digital garden

Fourier-transform infrared spectroscopy

CREATED: 200906230408 Joint work with Axel Mosig (CAS-MPG, PICB)

Tag #ftir are papers which analyzes analyzes FTIR Tag #spectral_window_selection focuses on selecting spectal windows that contain information Tag #ftir_application are papers which apply FTIR

FTIR spectroscopy data

  • medical diagrams (classification) -> biomarkers (what differentiates healthy/diseased tissue?)
  • cheminformatics -> determining concentration of chemicals (regression) using PLS models
  • hyperspectral images in remote sensing (classification of land types)

FTIR project

Domains Data Experiment/Technology Problems Techniques/Methods/Models

Topological alignment of images

  • images taken at home (low res) vs using a synchrotron (high res)

How to set the number of clusters?

  • ras protein try with k=4, k=5 etc

Supervised/unsupervised case

  • goodness of interval (EMD, entropy, KL divergence)
  • goddness of set of intervals (sum of individual intervals, multi-information)

New feature vector

  • one interval = one feature
  • do PCA/LDA on this new feature space
  • Multi LDA on this new feature space

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