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@ARTICLE{Munteanu:622215,
author = {Munteanu, Valentin and Starostin, Vladimir and Greco,
Alessandro and Pithan, Linus and Gerlach, Alexander and
Hinderhofer, Alexander and Kowarik, Stefan and Schreiber,
Frank},
title = {{N}eural network analysis of neutron and {X}-ray
reflectivity data incorporating prior knowledge},
journal = {Journal of applied crystallography},
volume = {57},
number = {2},
issn = {1600-5767},
address = {Copenhagen},
publisher = {Munksgaard},
reportid = {PUBDB-2025-00253},
pages = {456-469},
year = {2024},
abstract = {Due to the ambiguity related to the lack of phase
information, determining the physical parameters of
multilayer thin films from measured neutron and X-ray
reflectivity curves is, on a fundamental level, an
underdetermined inverse problem. This ambiguity poses
limitations on standard neural networks, constraining the
range and number of considered parameters in previous
machine learning solutions. To overcome this challenge, a
novel training procedure has been designed which
incorporates dynamic prior boundaries for each physical
parameter as additional inputs to the neural network. In
this manner, the neural network can be trained
simultaneously on all well-posed subintervals of a larger
parameter space in which the inverse problem is
underdetermined. During inference, users can flexibly input
their own prior knowledge about the physical system to
constrain the neural network prediction to distinct target
subintervals in the parameter space. The effectiveness of
the method is demonstrated in various scenarios, including
multilayer structures with a box model parameterization and
a physics-inspired special parameterization of the
scattering length density profile for a multilayer
structure. In contrast to previous methods, this approach
scales favourably when increasing the complexity of the
inverse problem, working properly even for a five-layer
multilayer model and a periodic multilayer model with up to
17 open parameters.},
cin = {FS-EC},
ddc = {540},
cid = {I:(DE-H253)FS-EC-20120731},
pnm = {623 - Data Management and Analysis (POF4-623)},
pid = {G:(DE-HGF)POF4-623},
experiment = {EXP:(DE-MLZ)NOSPEC-20140101},
typ = {PUB:(DE-HGF)16},
pubmed = {pmid:38596736},
UT = {WOS:001208800100024},
doi = {10.1107/S1600576724002115},
url = {https://bib-pubdb1.desy.de/record/622215},
}