Archetypal Analysis (AA) represents observations as convex combinations of extremal data-driven profiles, yielding interpretable low-dimensional descriptions of complex datasets. Classical AA relies on a least-squares objective, which is poorly suited to discrete observations such as binary, count, and categorical data...
A. E. J. Wedenborg, Jesper L. Hinrich, Morten Mørup· 0 citations
One-dimensional (1D) proton nuclear magnetic resonance (NMR) spectroscopy is widely used for complex mixture analysis because of its high reproducibility, minimal sample preparation, and inherent quantitative capabilities. However, 1D NMR remains constrained by three interrelated limitations: signal overlap among com...
Pia S. Mayer, S. B. Engelsen, Jesper L. Hinrich et al.· Analytical Chemistry· 0 citations
Overlapping peaks and sample-dependent chemical shift variability prevent reliable metabolite recovery from complex biological spectra. This problem is critical in one-dimensional proton (1D 1H) NMR which has become the standard method providing fast acquisition and information-rich spectra in metabolomics and foodomic...
Jesper L. Hinrich, Pia S. Mayer, Bekzod Khakimov et al.· 0 citations
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