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Register a new userDeep learning polarization distributions in ferroelectrics from STEM data: with and without atom finding
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Over the last decade, scanning transmission electron microscopy (STEM) has emerged as a powerful tool for probing atomic structures of complex materials with picometer precision, opening the pathway toward exploring ferroelectric, ferroelastic, and chemical phenomena on the atomic-scale. Analyses to date extracting a polarization signal from lattice coupled distortions in STEM imaging rely on discovery of atomic positions from intensity maxima/minima and subsequent calculation of polarization and other order parameter fields from the atomic displacements. Here, we explore the feasibility of polarization mapping directly from the analysis of STEM images using deep convolutional neural networks (DCNNs). In this approach, the DCNN is trained on the labeled part of the image (i.e., for human labelling), and the trained network is subsequently applied to other images. We explore the effects of the choice of the descriptors (centered on atomic columns and grid-based), the effects of observational bias, and whether the network trained on one composition can be applied to a different one. This analysis demonstrates the tremendous potential of the DCNN for the analysis of high-resolution STEM imaging and spectral data and highlights the associated limitations.
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Recently, the maximum a posteriori (MAP) probability rule has been proposed as an objective and quantitative method to detect atom columns and even single atoms from high-resolution high-angle annular dark-field (HAADF) scanning transmission electron microscopy (STEM) images. The method combines statistical parameter estimation and model-order selection using a Bayesian framework and has been shown to be especially useful for the analysis of the structure of beam-sensitive nanomaterials. In order to avoid beam damage, images of such materials are usually acquired using a limited incoming electron dose resulting in a low contrast-to-noise ratio (CNR) which makes visual inspection unreliable. This creates a need for an objective and quantitative approach. The present paper describes the methodology of the MAP probability rule, gives its step-by-step derivation and discusses its algorithmic implementation for atom column detection. In addition, simulation results are presented showing that the performance of the MAP probability rule to detect the correct number of atomic columns from HAADF STEM images is superior to that of other model-order selection criteria, including the Akaike Information Criterion (AIC) and the Bayesian Information Criterion (BIC). Moreover, the MAP probability rule is used as a tool to evaluate the relation between STEM image quality measures and atom detectability resulting in the introduction of the so-called integrated CNR (ICNR) as a new image quality measure that better correlates with atom detectability than conventional measures such as signal-to-noise ratio (SNR) and CNR.
Viewing a data set such as the clouds of Jupiter, coherence is readily apparent to human observers, especially the Great Red Spot, but also other great storms and persistent structures. There are now many different definitions and perspectives mathematically describing coherent structures, but we will take an image processing perspective here. We describe an image processing perspective inference of coherent sets from a fluidic system directly from image data, without attempting to first model underlying flow fields, related to a concept in image processing called motion tracking. In contrast to standard spectral methods for image processing which are generally related to a symmetric affinity matrix, leading to standard spectral graph theory, we need a not symmetric affinity which arises naturally from the underlying arrow of time. We develop an anisotropic, directed diffusion operator corresponding to flow on a directed graph, from a directed affinity matrix developed with coherence in mind, and corresponding spectral graph theory from the graph Laplacian. Our methodology is not offered as more accurate than other traditional methods of finding coherent sets, but rather our approach works with alternative kinds of data sets, in the absence of vector field. Our examples will include partitioning the weather and cloud structures of Jupiter, and a local to Potsdam, N.Y. lake-effect snow event on Earth, as well as the benchmark test double-gyre system.
Data-driven prediction and physics-agnostic machine-learning methods have attracted increased interest in recent years achieving forecast horizons going well beyond those to be expected for chaotic dynamical systems. In a separate strand of research data-assimilation has been successfully used to optimally combine forecast models and their inherent uncertainty with incoming noisy observations. The key idea in our work here is to achieve increased forecast capabilities by judiciously combining machine-learning algorithms and data assimilation. We combine the physics-agnostic data-driven approach of random feature maps as a forecast model within an ensemble Kalman filter data assimilation procedure. The machine-learning model is learned sequentially by incorporating incoming noisy observations. We show that the obtained forecast model has remarkably good forecast skill while being computationally cheap once trained. Going beyond the task of forecasting, we show that our method can be used to generate reliable ensembles for probabilistic forecasting as well as to learn effective model closure in multi-scale systems.
Daily operation of a large-scale experiment is a resource consuming task, particularly from perspectives of routine data quality monitoring. Typically, data comes from different sub-detectors and the global quality of data depends on the combinatorial performance of each of them. In this paper, the problem of identifying channels in which anomalies occurred is considered. We introduce a generic deep learning model and prove that, under reasonable assumptions, the model learns to identify channels which are affected by an anomaly. Such model could be used for data quality manager cross-check and assistance and identifying good channels in anomalous data samples. The main novelty of the method is that the model does not require ground truth labels for each channel, only global flag is used. This effectively distinguishes the model from classical classification methods. Being applied to CMS data collected in the year 2010, this approach proves its ability to decompose anomaly by separate channels.
This work presents a simple method to determine the significant partial wave contributions to experimentally determined observables in pseudoscalar meson photoproduction. First, fits to angular distributions are presented and the maximum orbital angular momentum $text{L}_{mathrm{max}}$ needed to achieve a good fit is determined. Then, recent polarization measurements for $gamma p rightarrow pi^{0} p$ from ELSA, GRAAL, JLab and MAMI are investigated according to the proposed method. This method allows us to project high-spin partial wave contributions to any observable as long as the measurement has the necessary statistical accuracy. We show, that high precision and large angular coverage in the polarization data are needed in order to be sensitive to high-spin resonance-states and thereby also for the finding of small resonance contributions. This task can be achieved via interference of these resonances with the well-known states. For the channel $gamma p rightarrow pi^{0} p$, those are the $N(1680)frac{5}{2}^{+}$ and $Delta(1950)frac{7}{2}^{+}$, contributing to the $F$-waves.
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