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  • 1
    Online Resource
    Online Resource
    Cham :Springer International Publishing :
    UID:
    almahu_9949450757402882
    Format: XII, 97 p. 29 illus., 28 illus. in color. , online resource.
    Edition: 1st ed. 2022.
    ISBN: 9783031148088
    Series Statement: Springer Theses, Recognizing Outstanding Ph.D. Research,
    Content: The thesis contains several pioneering results at the intersection of state-of-the-art materials characterization techniques and machine learning. The use of machine learning empowers the information extraction capability of neutron and photon spectroscopies. In particular, new knowledge and new physics insights to aid spectroscopic analysis may hold great promise for next-generation quantum technology. As a prominent example, the so-called proximity effect at topological material interfaces promises to enable spintronics without energy dissipation and quantum computing with fault tolerance, yet the characteristic spectral features to identify the proximity effect have long been elusive. The work presented within permits a fine resolution of its spectroscopic features and a determination of the proximity effect which could aid further experiments with improved interpretability. A few novel machine learning architectures are proposed in this thesis work which leverage the case when the data is scarce and utilize the internal symmetry of the system to improve the training quality. The work sheds light on future pathways to apply machine learning to augment experiments.
    Note: Chapter1: Introduction -- Chapter2: Background -- Chapter3: Data-efficient learning of materials' vibrational properties -- Chapter4: Machine learning-assisted parameter retrieval from polarized neutron reflectometry measurements -- Chapter5: Machine learning spectral indicators of topology -- Chapter6: Conclusion and outlook.
    In: Springer Nature eBook
    Additional Edition: Printed edition: ISBN 9783031148071
    Additional Edition: Printed edition: ISBN 9783031148095
    Additional Edition: Printed edition: ISBN 9783031148101
    Language: English
    URL: Volltext  (URL des Erstveröffentlichers)
    Library Location Call Number Volume/Issue/Year Availability
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  • 2
    Online Resource
    Online Resource
    Cham, Switzerland :Springer,
    UID:
    edoccha_9960901282002883
    Format: 1 online resource (106 pages)
    ISBN: 9783031148088
    Series Statement: Springer Theses
    Note: Intro -- Supervisor's Foreword -- Acknowledgments -- Parts of This Thesis Have Been Published in the Following Journal Articles and Preprints -- Contents -- 1 Introduction -- 1.1 Neutron and Photon Scattering and Spectroscopy -- 1.2 Integration of Machine Learning -- 1.3 Thesis Objectives -- References -- 2 Background -- 2.1 Neutron and Photon Scattering and Spectroscopy -- 2.1.1 Inelastic Neutron Scattering -- 2.1.2 Raman Spectroscopy -- 2.1.3 Polarized Neutron Reflectometry -- 2.1.4 X-ray Absorption Spectroscopy -- 2.2 Data-Driven Methods -- 2.2.1 Dimensionality Reduction -- Singular Value Decomposition -- Principal Component Analysis -- Non-negative Matrix Factorization -- 2.2.2 Machine Learning -- Support Vector Machines -- Neural Networks -- References -- 3 Data-Efficient Learning of Materials' Vibrational Properties -- 3.1 Introduction -- 3.2 Materials Data Representations -- 3.3 Euclidean Neural Networks -- 3.3.1 Graph Representation of Crystal Structures -- 3.3.2 Network Operations -- 3.4 Phonon DoS Prediction -- 3.4.1 Data Processing -- 3.4.2 Results -- 3.4.3 Comparison with Experiment -- 3.4.4 High-CV Materials Discovery -- 3.4.5 Partial Phonon Density of States -- 3.4.6 Alloys and Strained Compounds -- 3.5 Unsupervised Representation Learning of Vibrational Spectra -- 3.5.1 Dimensionality Reduction -- 3.5.2 Data Processing Methods -- 3.5.3 Results -- 3.6 Conclusion -- References -- 4 Machine Learning-Assisted Parameter Retrieval from Polarized Neutron Reflectometry Measurements -- 4.1 Introduction -- 4.2 Polarized Neutron Reflectometry -- 4.3 Variational Autoencoder -- 4.3.1 VAE-Based PNR Parameter Retrieval -- 4.3.2 Data Preparation -- 4.3.3 Results -- 4.4 Resolving Interfacial AFM Coupling -- 4.5 Discussion -- 4.6 Conclusion -- References -- 5 Machine Learning Spectral Indicators of Topology -- 5.1 Introduction. , 5.2 Topological Materials Discovery -- 5.3 Data Preparation and Pre-processing -- 5.4 Exploratory Analysis -- 5.5 Results -- 5.6 Conclusion -- References -- 6 Conclusion and Outlook -- 6.1 Thesis Summary -- 6.2 Perspectives and Outlook -- Reference.
    Additional Edition: Print version: Andrejevic, Nina Machine Learning-Augmented Spectroscopies for Intelligent Materials Design Cham : Springer International Publishing AG,c2022 ISBN 9783031148071
    Language: English
    Library Location Call Number Volume/Issue/Year Availability
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