Alexander Hexemer
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View article: Towards generalizable deep ptychography neural networks
Towards generalizable deep ptychography neural networks Open
X-ray ptychography is a data-intensive imaging technique expected to become ubiquitous at next-generation light sources delivering many-fold increases in coherent flux. The need for real-time feedback under accelerated acquisition rates mo…
View article: Optimizing inference of segmentation on high-resolution images in MLExchange
Optimizing inference of segmentation on high-resolution images in MLExchange Open
MLExchange is a machine learning (ML) operations platform providing web user-interfaces (UIs) for data visualization and analysis pipelines at synchrotron facilities. Among these UIs is the segmentation app which helps synchrotron users ut…
View article: A machine-learning-driven data labeling pipeline for scientific analysis in <i>MLExchange</i>
A machine-learning-driven data labeling pipeline for scientific analysis in <i>MLExchange</i> Open
This study introduces a novel labeling pipeline to accelerate the labeling process of scientific data sets by using artificial intelligence (AI)-guided tagging techniques. This pipeline includes a set of interconnected web-based graphical …
View article: Characterization of latent image of electron beam resist via critical-dimension resonant soft X-ray scattering
Characterization of latent image of electron beam resist via critical-dimension resonant soft X-ray scattering Open
Metrology plays a crucial role in semiconductor manufacturing by providing accurate and precise measurement and characterization of critical parameters. With the development of high-resolution extreme ultraviolet lithography (EUVL) process…
View article: Effect of layer thickness on the thermoelectric properties of fully sprayed poly(3-hexylthiophene-2,5-diyl) thin films doped with chloroauric acid
Effect of layer thickness on the thermoelectric properties of fully sprayed poly(3-hexylthiophene-2,5-diyl) thin films doped with chloroauric acid Open
The thermoelectric properties of fully sprayed thin films of poly(3-hexylthiophen-2,5-diyl) (P3HT) doped with chloroauric acid are investigated for different film thicknesses. The film thickness increases logarithmically with increasing am…
View article: Generating Realistic X-ray Scattering Images Using Stable Diffusion and Human-in-the-loop Annotations
Generating Realistic X-ray Scattering Images Using Stable Diffusion and Human-in-the-loop Annotations Open
We fine-tuned a foundational stable diffusion model using X-ray scattering images and their corresponding descriptions to generate new scientific images from given prompts. However, some of the generated images exhibit significant unrealis…
View article: Double-Helical Tiled Chain Structure of the Twist-Bend Liquid Crystal Phase in CB7CB
Double-Helical Tiled Chain Structure of the Twist-Bend Liquid Crystal Phase in CB7CB Open
The twist-bend nematic liquid crystal phase is a three-dimensional fluid in which achiral bent molecules spontaneously form an orientationally ordered, macroscopically chiral, heliconical winding of a ten nanometer-scale pitch in the absen…
View article: DLSIA: Deep Learning for Scientific Image Analysis
DLSIA: Deep Learning for Scientific Image Analysis Open
DLSIA (Deep Learning for Scientific Image Analysis) is a Python-based machine learning library that empowers scientists and researchers across diverse scientific domains with a range of customizable convolutional neural network (CNN) archi…
View article: Image Segmentation using U-Net Architecture for Powder X-ray Diffraction Images
Image Segmentation using U-Net Architecture for Powder X-ray Diffraction Images Open
Scientific researchers frequently use the in situ synchrotron high-energy powder X-ray diffraction (XRD) technique to examine the crystallographic structures of materials in functional devices such as rechargeable battery materials. We pro…
View article: A Continuous Action Space Tree search for INverse desiGn (CASTING) framework for materials discovery
A Continuous Action Space Tree search for INverse desiGn (CASTING) framework for materials discovery Open
Material properties share an intrinsic relationship with their structural attributes, making inverse design approaches crucial for discovering new materials with desired functionalities. Reinforcement Learning (RL) approaches are emerging …
View article: DLSIA: Deep Learning for Scientific Image Analysis
DLSIA: Deep Learning for Scientific Image Analysis Open
We introduce DLSIA (Deep Learning for Scientific Image Analysis), a Python-based machine learning library that empowers scientists and researchers across diverse scientific domains with a range of customizable convolutional neural network …
View article: Effects of the Grazing Incidence Geometry on X-ray Photon Correlation Spectroscopy Measurements
Effects of the Grazing Incidence Geometry on X-ray Photon Correlation Spectroscopy Measurements Open
X-ray photon correlation spectroscopy (XPCS) is a versatile tool to measure dynamics on the nanometer to micrometer scale in bulk samples. XPCS has also been applied in grazing incidence (GI) geometry to examine the dynamics of surface lay…
View article: A Continuous Action Space Tree search for INverse desiGn (CASTING) Framework for Materials Discovery
A Continuous Action Space Tree search for INverse desiGn (CASTING) Framework for Materials Discovery Open
Fast and accurate prediction of optimal crystal structure, topology, and microstructures is important for accelerating the design and discovery of new materials for energy applications. As material properties are strongly correlated to the…
View article: Deploying machine learning based segmentation for scientific imaging analysis at synchrotron facilities
Deploying machine learning based segmentation for scientific imaging analysis at synchrotron facilities Open
Scientific user facilities present a unique set of challenges for image processing due to the large volume of data generated from experiments and simulations. Furthermore, developing and implementing algorithms for real-time processing and…
View article: A Continuous Action Space Tree search for INverse desiGn (CASTING) Framework for Materials Discovery
A Continuous Action Space Tree search for INverse desiGn (CASTING) Framework for Materials Discovery Open
Fast and accurate prediction of optimal crystal structure, topology, and microstructures is important for accelerating the design and discovery of new materials. A challenge lies in the exorbitantly large structural and compositional space…
View article: MLExchange: A web-based platform enabling exchangeable machine learning workflows for scientific studies
MLExchange: A web-based platform enabling exchangeable machine learning workflows for scientific studies Open
Machine learning (ML) algorithms are showing a growing trend in helping the scientific communities across different disciplines and institutions to address large and diverse data problems. However, many available ML tools are programmatica…
View article: A comparison of deep-learning-based inpainting techniques for experimental X-ray scattering
A comparison of deep-learning-based inpainting techniques for experimental X-ray scattering Open
The implementation is proposed of image inpainting techniques for the reconstruction of gaps in experimental X-ray scattering data. The proposed methods use deep learning neural network architectures, such as convolutional autoencoders, tu…
View article: MLExchange: A web-based platform enabling exchangeable machine learning workflows for scientific studies
MLExchange: A web-based platform enabling exchangeable machine learning workflows for scientific studies Open
Machine learning (ML) algorithms are showing a growing trend in helping the scientific communities across different disciplines and institutions to address large and diverse data problems. However, many available ML tools are programmatica…
View article: Sizes of pure and doped helium droplets from single shot x-ray imaging
Sizes of pure and doped helium droplets from single shot x-ray imaging Open
Advancements in x-ray free-electron lasers on producing ultrashort, ultrabright, and coherent x-ray pulses enable single-shot imaging of fragile nanostructures, such as superfluid helium droplets. This imaging technique gives unique access…
View article: Collaborative software solutions and data standards for ptychographic imaging
Collaborative software solutions and data standards for ptychographic imaging Open
Recent developments in 4th generation light sources and high-speed detectors are leading to rapid growth in data rates and data volumes, increasing the demand for automated data collection, handling/reduction/storage, and analysis processe…
View article: Grazing-incidence small-angle X-ray photoncorrelation spectroscopy: limitations and opportunities
Grazing-incidence small-angle X-ray photoncorrelation spectroscopy: limitations and opportunities Open
X-Ray Photon Correlation Spectroscopy (XPCS) is a flexible tool to quantify dynamics on the nanometer to micrometer scale in bulk samples and was used in the recent years in grazing incidence (GI) geometry for application to thin film samp…
View article: K-means-driven Gaussian Process data collection for angle-resolved photoemission spectroscopy
K-means-driven Gaussian Process data collection for angle-resolved photoemission spectroscopy Open
We propose the combination of k-means clustering with Gaussian Process (GP) regression in the analysis and exploration of 4D angle-resolved photoemission spectroscopy (ARPES) data. Using cluster labels as the driving metric on which the GP…
View article: AI-enabled high-resolution scanning coherent diffraction imaging
AI-enabled high-resolution scanning coherent diffraction imaging Open
Ptychographic imaging is a powerful means of imaging beyond the resolution limits of typical x-ray optics. Recovering images from raw ptychographic data, however, requires the solution of an inverse problem, namely, phase retrieval. Phase …
View article: Real-time sparse-sampled Ptychographic imaging through deep neural\n networks
Real-time sparse-sampled Ptychographic imaging through deep neural\n networks Open
Ptychography has rapidly grown in the fields of X-ray and electron imaging\nfor its unprecedented ability to achieve nano or atomic scale resolution while\nsimultaneously retrieving chemical or magnetic information from a sample. A\nptycho…
View article: Real-time sparse-sampled Ptychographic imaging through deep neural networks
Real-time sparse-sampled Ptychographic imaging through deep neural networks Open
Ptychography has rapidly grown in the fields of X-ray and electron imaging for its unprecedented ability to achieve nano or atomic scale resolution while simultaneously retrieving chemical or magnetic information from a sample. A ptychogra…
View article: Electrophoresis Assisted Printing: A Method To Control the Morphology in Organic Thin Films
Electrophoresis Assisted Printing: A Method To Control the Morphology in Organic Thin Films Open
A major advantage of organic solar cells (OSC) is the processability out of solution allowing for advanced printing methods toward large-scale production. Controlling the blend morphology of solution coated active layers is a key challenge…
View article: Demonstration of Machine Learning-Based Model-Independent Stabilization of Source Properties in Synchrotron Light Sources
Demonstration of Machine Learning-Based Model-Independent Stabilization of Source Properties in Synchrotron Light Sources Open
Synchrotron light sources, arguably among the most powerful tools of modern scientific discovery, are presently undergoing a major transformation to provide orders of magnitude higher brightness and transverse coherence enabling the most d…
View article: [Office of Basic Energy Sciences (BES)] Roundtable on Producing and Managing Large Scientific Data with Artificial Intelligence and Machine Learning
[Office of Basic Energy Sciences (BES)] Roundtable on Producing and Managing Large Scientific Data with Artificial Intelligence and Machine Learning Open
This report describes four priority research opportunities for AI and machine learning presented at the roundtable. The report also provides a summary on computer science and mathematics that highlights where enhanced AI/ML capabilities co…