Principal-components analysis via the singular-value decomposition (Pearson 1901, Hotelling 1933; SVD foundations Eckart-Young 1936, Mirsky 1960). Take X ∈ ℝ^{n×p} with n observations (spectra, samples) × p features (wavelengths, m/z…
Principal-components analysis via the singular-value decomposition (Pearson 1901, Hotelling 1933; SVD foundations Eckart-Young 1936, Mirsky 1960). Take X ∈ ℝ^{n×p} with n observations (spectra, samples) × p features (wavelengths, m/z…