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Active learning-assisted neutron spectroscopy with log-Gaussian processes

Author

Listed:
  • Mario Teixeira Parente

    (Forschungszentrum Jülich)

  • Georg Brandl

    (Forschungszentrum Jülich)

  • Christian Franz

    (Forschungszentrum Jülich)

  • Uwe Stuhr

    (Paul Scherrer Institute (PSI))

  • Marina Ganeva

    (Forschungszentrum Jülich)

  • Astrid Schneidewind

    (Forschungszentrum Jülich)

Abstract

Neutron scattering experiments at three-axes spectrometers (TAS) investigate magnetic and lattice excitations by measuring intensity distributions to understand the origins of materials properties. The high demand and limited availability of beam time for TAS experiments however raise the natural question whether we can improve their efficiency and make better use of the experimenter’s time. In fact, there are a number of scientific problems that require searching for signals, which may be time consuming and inefficient if done manually due to measurements in uninformative regions. Here, we describe a probabilistic active learning approach that not only runs autonomously, i.e., without human interference, but can also directly provide locations for informative measurements in a mathematically sound and methodologically robust way by exploiting log-Gaussian processes. Ultimately, the resulting benefits can be demonstrated on a real TAS experiment and a benchmark including numerous different excitations.

Suggested Citation

  • Mario Teixeira Parente & Georg Brandl & Christian Franz & Uwe Stuhr & Marina Ganeva & Astrid Schneidewind, 2023. "Active learning-assisted neutron spectroscopy with log-Gaussian processes," Nature Communications, Nature, vol. 14(1), pages 1-15, December.
  • Handle: RePEc:nat:natcom:v:14:y:2023:i:1:d:10.1038_s41467-023-37418-8
    DOI: 10.1038/s41467-023-37418-8
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    References listed on IDEAS

    as
    1. Basu, Sankarshan & Dassios, Angelos, 2002. "A Cox process with log-normal intensity," Insurance: Mathematics and Economics, Elsevier, vol. 31(2), pages 297-302, October.
    2. Yu Song & John Van Dyke & I. K. Lum & B. D. White & Sooyoung Jang & Duygu Yazici & L. Shu & A. Schneidewind & Petr Čermák & Y. Qiu & M. B. Maple & Dirk K. Morr & Pengcheng Dai, 2016. "Robust upward dispersion of the neutron spin resonance in the heavy fermion superconductor Ce1−xYbxCoIn5," Nature Communications, Nature, vol. 7(1), pages 1-10, November.
    3. Basu, Sankarshan & Dassios, Angelos, 2002. "A Cox process with log-normal intensity," LSE Research Online Documents on Economics 16375, London School of Economics and Political Science, LSE Library.
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