A1 Refereed original research article in a scientific journal
Unsupervised classification of single-molecule data with autoencoders and transfer learning
Authors: Vladyka A, Albrecht T
Publisher: IOP Publishing
Publication year: 2020
Journal: Machine Learning: Science and Technology
Journal name in source: Machine Learning: Science and Technology
Journal acronym: MLST
Article number: 035013
Volume: 1
Issue: 3
eISSN: 2632-2153
DOI: https://doi.org/10.1088/2632-2153/aba6f2
Web address : https://doi.org/10.1088/2632-2153/aba6f2
Self-archived copy’s web address: https://research.utu.fi/converis/portal/Publication/51144754
Datasets from single-molecule experiments often reflect a large variety
of molecular behaviour. The exploration of such datasets can be
challenging, especially if knowledge about the data is limited and a
priori assumptions about expected data characteristics are to be
avoided. Indeed, searching for pre-defined signal characteristics is
sometimes useful, but it can also lead to information loss and the
introduction of expectation bias. Here, we demonstrate how Transfer
Learning-enhanced dimensionality reduction can be employed to identify
and quantify hidden features in single-molecule charge transport data,
in an unsupervised manner. Taking advantage of open-access neural
networks trained on millions of seemingly unrelated image data, our
results also show how Deep Learning methodologies can readily be
employed, even if the amount of problem-specific,'own'data is limited.
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