Millisecond X-ray reflectometry and neural network analysis: unveiling fast processes in spin coating.

X-ray reflectometry (XRR) is a powerful tool for probing the structural characteristics of nanoscale films and layered structures, which is an important field of nanotechnology and is often used in semiconductor and optics manufacturing. This study introduces a novel approach for conducting quantitative high-resolution millisecond monochromatic XRR measurements. This is an order of magnitude faster than in previously published work. Quick XRR (qXRR) enables real time and in situ monitoring of nanoscale processes such as thin film formation during spin coating. A record qXRR acquisition time of 1.4 ms is demonstrated for a static gold thin film on a silicon sample. As a second example of this novel approach, dynamic in situ measurements are performed during PMMA spin coating onto silicon wafers and fast fitting of XRR curves using machine learning is demonstrated. This investigation primarily focuses on the evolution of film structure and surface morphology, resolving for the first time with qXRR the initial film thinning via mass transport and also shedding light on later thinning via solvent evaporation. This innovative millisecond qXRR technique is of significance for in situ studies of thin film deposition. It addresses the challenge of following intrinsically fast processes, such as thin film growth of high deposition rate or spin coating. Beyond thin film growth processes, millisecond XRR has implications for resolving fast structural changes such as photostriction or diffusion processes.

Closing the loop: autonomous experiments enabled by machine-learning-based online data analysis in synchrotron beamline environments.

Recently, there has been significant interest in applying machine-learning (ML) techniques to the automated analysis of X-ray scattering experiments, due to the increasing speed and size at which datasets are generated. ML-based analysis presents an important opportunity to establish a closed-loop feedback system, enabling monitoring and real-time decision-making based on online data analysis. In this study, the incorporation of a combined one-dimensional convolutional neural network (CNN) and multilayer perceptron that is trained to extract physical thin-film parameters (thickness, density, roughness) and capable of taking into account prior knowledge is described. ML-based online analysis results are processed in a closed-loop workflow for X-ray reflectometry (XRR), using the growth of organic thin films as an example. Our focus lies on the beamline integration of ML-based online data analysis and closed-loop feedback. Our data demonstrate the accuracy and robustness of ML methods for analyzing XRR curves and Bragg reflections and its autonomous control over a vacuum deposition setup.

Faster and lower-dose X-ray reflectivity measurements enabled by physics-informed modeling and artificial intelligence co-refinement.

An approach is presented for analysis of real-time X-ray reflectivity (XRR) process data not just as a function of the magnitude of the reciprocal-space vector q, as is commonly done, but as a function of both q and time. The real-space structures extracted from the XRR curves are restricted to be solutions of a physics-informed growth model and use state-of-the-art convolutional neural networks (CNNs) and differential evolution fitting to co-refine multiple time-dependent XRR curves R(q, t) of a thin film growth experiment. Thereby it becomes possible to correctly analyze XRR data with a fidelity corresponding to standard fits of individual XRR curves, even if they are sparsely sampled, with a sevenfold reduction of XRR data points, or if the data are noisy due to a 200-fold reduction in counting times. The approach of using a CNN analysis and of including prior information through a kinetic model is not limited to growth studies but can be easily extended to other kinetic X-ray or neutron reflectivity data to enable faster measurements with less beam damage.

Ambipolar remote graphene doping by low-energy electron beam irradiation.

We employ low-energy electron beam irradiation to induce both n- and p-doping in a graphene layer. Depending on the applied gate voltage during the irradiation, either n- or p-doping can be achieved, and by setting an appropriate irradiation protocol, any desired doping levels can be achieved.

X-ray induced electrostatic graphene doping via defect charging in gate dielectric.

Graphene field effect transistors are becoming an integral part of advanced devices. Hence, the advanced strategies for both characterization and tuning of graphene properties are required. Here we show that the X-ray irradiation at the zero applied gate voltage causes very strong negative doping of graphene, which is explained by X-ray radiation induced charging of defects in the gate dielectric. The induced charge can be neutralized and compensated if the graphene device is irradiated by X-rays at a negative gate voltage. Here the charge neutrality point shifts back to zero voltage. The observed phenomenon has strong implications for interpretation of X-ray based measurements of graphene devices as it renders them to significantly altered state. Our results also form a basis for remote X-ray tuning of graphene transport properties and X-ray sensors comprising the graphene/oxide interface as an active layer.

Adaptation of machine translation for multilingual information retrieval in the medical domain.

OBJECTIVE: We investigate machine translation (MT) of user search queries in the context of cross-lingual information retrieval (IR) in the medical domain. The main focus is on techniques to adapt MT to increase translation quality; however, we also explore MT adaptation to improve effectiveness of cross-lingual IR. METHODS AND DATA: Our MT system is Moses, a state-of-the-art phrase-based statistical machine translation system. The IR system is based on the BM25 retrieval model implemented in the Lucene search engine. The MT techniques employed in this work include in-domain training and tuning, intelligent training data selection, optimization of phrase table configuration, compound splitting, and exploiting synonyms as translation variants. The IR methods include morphological normalization and using multiple translation variants for query expansion. The experiments are performed and thoroughly evaluated on three language pairs: Czech-English, German-English, and French-English. MT quality is evaluated on data sets created within the Khresmoi project and IR effectiveness is tested on the CLEF eHealth 2013 data sets. RESULTS: The search query translation results achieved in our experiments are outstanding - our systems outperform not only our strong baselines, but also Google Translate and Microsoft Bing Translator in direct comparison carried out on all the language pairs. The baseline BLEU scores increased from 26.59 to 41.45 for Czech-English, from 23.03 to 40.82 for German-English, and from 32.67 to 40.82 for French-English. This is a 55% improvement on average. In terms of the IR performance on this particular test collection, a significant improvement over the baseline is achieved only for French-English. For Czech-English and German-English, the increased MT quality does not lead to better IR results. CONCLUSIONS: Most of the MT techniques employed in our experiments improve MT of medical search queries. Especially the intelligent training data selection proves to be very successful for domain adaptation of MT. Certain improvements are also obtained from German compound splitting on the source language side. Translation quality, however, does not appear to correlate with the IR performance - better translation does not necessarily yield better retrieval. We discuss in detail the contribution of the individual techniques and state-of-the-art features and provide future research directions.