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Register a new userDeep learning of interface structures from the 4D STEM data: cation intermixing vs. roughening
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Interface structures in complex oxides remain one of the active areas of condensed matter physics research, largely enabled by recent advances in scanning transmission electron microscopy (STEM). Yet the nature of the STEM contrast in which the structure is projected along the given direction precludes separation of possible structural models. Here, we utilize deep convolutional neural networks (DCNN) trained on simulated 4D scanning transmission electron microscopy (STEM) datasets to predict structural descriptors of interfaces. We focus on the widely studied interface between LaAlO3 and SrTiO3, using dynamical diffraction theory and leveraging high performance computing to simulate thousands of possible 4D STEM datasets to train the DCNN to learn properties of the underlying structures on which the simulations are based. We validate the DCNN on simulated data and show that it is possible (with >95% accuracy) to identify a physically rough from a chemically diffuse interface and achieve 85% accuracy in determination of buried step positions within the interface. The method shown here is general and can be applied for any inverse imaging problem where forward models are present.
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Four-dimensional scanning transmission electron microscopy (4D-STEM) is one of the most rapidly growing modes of electron microscopy imaging. The advent of fast pixelated cameras and the associated data infrastructure have greatly accelerated this process. Yet conversion of the 4D datasets into physically meaningful structure images in real-space remains an open issue. In this work, we demonstrate that, it is possible to systematically create filters that will affect the apparent resolution or even qualitative features of the real-space structure image, reconstructing artificially generated patterns. As initial efforts, we explore statistical model selection algorithms, aiming for robustness and reliability of estimated filters. This statistical model selection analysis demonstrates the need for regularization and cross-validation of inversion methods to robustly recover structure from high-dimensional diffraction datasets.
The arrival of direct electron detectors (DED) with high frame-rates in the field of scanning transmission electron microscopy has enabled many experimental techniques that require collection of a full diffraction pattern at each scan position, a field which is subsumed under the name four dimensional-scanning transmission electron microscopy (4D-STEM). DED frame rates approaching 100 kHz require data transmission rates and data storage capabilities that exceed commonly available computing infrastructure. Current commercial DEDs allow the user to make compromises in pixel bit depth, detector binning or windowing to reduce the per-frame file size and allow higher frame rates. This change in detector specifications requires decisions to be made before data acquisition that may reduce or lose information that could have been advantageous during data analysis. The 4D Camera, a DED with 87 kHz frame-rate developed at Lawrence Berkeley National Laboratory, reduces the raw data to a linear-index encoded electron event representation (EER). Here we show with experimental data from the 4D Camera that linear-index encoded EER and its direct use in 4D-STEM phase contrast imaging methods enables real-time, interactive phase-contrast from large-area 4D-STEM datasets. We detail the computational complexity advantages of the EER and the necessary computational steps to achieve real-time interactive ptychography and center-of-mass differential phase contrast using commonly available hardware accelerators.
Generalizability of machine-learning (ML) based turbulence closures to accurately predict unseen practical flows remains an important challenge. It is well recognized that the ML neural network architecture and training protocol profoundly influence the generalizability characteristics. The objective of this work is to identify the unique challenges in finding the ML closure network hyperparameters that arise due to the inherent complexity of turbulence. Three proxy-physics turbulence surrogates of different degrees of complexity (yet significantly simpler than turbulence physics) are employed. The proxy-physics models mimic some of the key features of turbulence and provide training/testing data at low computational expense. The focus is on the following turbulence features: high dimensionality of flow physics parameter space, non-linearity effects and bifurcations in emergent behavior. A standard fully-connected neural network is used to reproduce the data of simplified proxy-physics turbulence surrogates. Lacking a rigorous procedure to find globally optimal ML neural network hyperparameters, a brute-force parameter-space sweep is performed to examine the existence of locally optimal solution. Even for this simple case, it is demonstrated that the choice of the optimal hyperparameters for a fully-connected neural network is not straightforward when it is trained with the partially available data in parameter space. Overall, specific issues to be addressed are identified, and the findings provide a realistic perspective on the utility of ML turbulence closures for practical applications.
We present a supervised learning method to learn the propagator map of a dynamical system from partial and noisy observations. In our computationally cheap and easy-to-implement framework a neural network consisting of random feature maps is trained sequentially by incoming observations within a data assimilation procedure. By employing Takens embedding theorem, the network is trained on delay coordinates. We show that the combination of random feature maps and data assimilation, called RAFDA, outperforms standard random feature maps for which the dynamics is learned using batch data.
We study, using simulated experiments inspired by thin film magnetic domain patterns, the feasibility of phase retrieval in X-ray diffractive imaging in the presence of intrinsic charge scattering given only photon-shot-noise limited diffraction data. We detail a reconstruction algorithm to recover the samples magnetization distribution under such conditions, and compare its performance with that of Fourier transform holography. Concerning the design of future experiments, we also chart out the reconstruction limits of diffractive imaging when photon- shot-noise and the intensity of charge scattering noise are independently varied. This work is directly relevant to the time-resolved imaging of magnetic dynamics using coherent and ultrafast radiation from X-ray free electron lasers and also to broader classes of diffractive imaging experiments which suffer noisy data, missing data or both.
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