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At least 1,117 records · Page 62

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NASA NTRS2018

The Zwicky Transient Facility: Data Processing, Products, and Archive

The Zwicky Transient Facility (ZTF) is a new robotic time-domain survey currently in progress using the Palomar 48-inch Schmidt Telescope. ZTF uses a 47 square degree field with a 600 megapixel camera to scan the entire northern visible sky at rates of ∼3760 square degrees/hour to median depths of g ~ 20.8 and r ~ 20.6 mag (AB, 5σ in 30 sec). We describe the Science Data System that is housed at IPAC, Caltech. This comprises the data-processing pipelines, alert production system, data archive, and user interfaces for accessing and analyzing the products. The real-time pipeline employs a novel image-differencing algorithm, optimized for the detection of point-source transient events. These events are vetted for reliability using a machine-learned classifier and combined with contextual information to generate data-rich alert packets. The packets become available for distribution typically within 13 minutes (95th percentile) of observation. Detected events are also linked to generate candidate moving-object tracks using a novel algorithm. Objects that move fast enough to streak in the individual exposures are also extracted and vetted. We present some preliminary results of the calibration performance delivered by the real-time pipeline. The reconstructed astrometric accuracy per science image with respect to Gaia DR1 is typically 45 to 85 milliarcsec. This is the RMS per-axis on the sky for sources extracted with photometric S/N ≥10 and hence corresponds to the typical astrometric uncertainty down to this limit. The derived photometric precision (repeatability) at bright unsaturated fluxes varies between 8 and 25 millimag. The high end of these ranges corresponds to an airmass approaching ∼2—the limit of the public survey. Photometric calibration accuracy with respect to Pan-STARRS1 is generally better than 2%. The products support a broad range of scientific applications: fast and young supernovae; rare flux transients; variable stars; eclipsing binaries; variability from active galactic nuclei; counterparts to gravitational wave sources; a more complete census of Type Ia supernovae; and solar-system objects.

Frank J. Masci↗

DOE OSTI2024

Automated AI-driven Molecular Design for Therapeutic Discovery

In recent years, artificial intelligence and machine learning (AI/ML) approaches have revolutionized the process of designing new therapeutics, enabling scientists to rapidly respond to emerging threats from various pathogens. A prime example is the SARS-CoV-2 main protease, a key target for the development of antiviral inhibitors. In this study, we employed a novel, integrated approach that combines AI-driven iterative design of inhibitor candidates, screening based on physio-chemical properties and toxicity, physics-based computational modeling of protein-inhibitor interactions, and AI-assisted analysis of Native MS biophysical assay and characterization of designed candidates. Our deep learning 3D-scaffold model, which uses an input scaffold as a starting point, generated tens of thousands of compounds while preserving the key scaffold. To optimize these candidates, we calculated a comprehensive set of 136 descriptors, including both 2D and 3D molecular features, for compounds targeting the SARS-CoV-2 Main protease (Mpro) and a neurodegenerative disease-associated protein, cyclophilin (Cyp). The generated compounds were initially filtered based on their properties and then ranked according to their predicted binding affinity using our automated modeling and ML methods. Experimental validation of the Mpro candidates showing inhibitory activity demonstrates that our workflow can expedite the therapeutic discovery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Atomic Energy Accuracy of Neural Network Potentials: Harnessing Pretraining and Transfer Learning

Machine learning-based interatomic potentials (MLIPs) have transformed the prediction of potential energy surfaces (PESs), achieving accuracy comparable to ab initio calculations. However, atomic energy predictions, often assumed to lack physical meaning, remain underexplored. In this study, we demonstrate that inaccuracies in atomic energy predictions reduce the robustness and transferability of Neural Network Potentials (NNPs) and atomic energy error can be masked in total energy predictions due to error cancellation. Here, we validate this finding using challenging configurations involving deformation and failure under tensile loading. By pretraining atomic energy predictions using empirical potentials and applying transfer learning with density functional theory (DFT) data, we achieve notable improvements in the accuracy of total energy, forces, and stress predictions. Furthermore, this approach enhances the robustness and transferability of NNPs, emphasizing the importance of atomic energy predictions in developing high-quality and reliable MLIPs.

Active Learning↗

DOE OSTI2020

FIU Project 3: Waste and D&D Engineering and Technology Development [Slides]

This project focuses on delivering solutions under deactivation and decommissioning (D&D) in support of DOE EM-4.11 as well as IT development for environmental applications (KM-IT for EM-4.11) and waste & material management (WIMS for EM-4.22). All technology development related activities will also engage the Office of Technology Development (EM-3.2). This work is also relevant to infrastructure management activities being carried out at DOE sites such as Oak Ridge, Savannah River, Hanford, Idaho and Portsmouth. As appropriate and within the parameters of the DOE-FIU Cooperative Agreement (CA), coordination at the proper level will occur with the sites and national laboratories involved in the project research efforts as well as with the points-of-contact at DOE HQ (e.g., HQ Project Leads, HQ Field Liaisons, Office of Technology Development, CA Technical Monitor, COR, etc.).

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2021

Artificial Intelligence for Multiphysics Nuclear Design Optimization with Additive Manufacturing

The geometric flexibility of additively manufactured metals and ceramics generates a very large and open design space that requires advanced modeling and simulation tools for physics simulations and the rigorous definition of design problems. This effort deploys artificial intelligence (AI) and machine learning (ML) algorithms to understand the design space, evaluate potential designs, and more efficiently generate optimized results. The Transformational Challenge Reactor (TCR) program is leveraging advances in several scientific areas—including materials, manufacturing, sensors and control systems, data analytics, and high-fidelity modeling and simulation—to accelerate the design, manufacturing, qualification, and deployment of advanced nuclear energy systems. Through a manufacturing-informed design approach, the TCR program seeks to integrate digital data for rapid nuclear innovation; accelerate the adoption of advances in manufacturing, materials, and computational sciences for nuclear applications; and dramatically reduce deployment costs and timelines for new nuclear reactor technologies. This report documents efforts under the TCR program to leverage advanced modeling and simulation techniques driven by AI/ML algorithms on high-performance computing (HPC) systems to yield more optimized TCR core designs. A multiphysics ML surrogate model was developed to run on the HPC architectures. The surrogate model is trained on high-fidelity simulation data of coupled neutronics and thermofluidics and is used to quickly evaluate thousands of candidate core designs in parallel, which drives the evolution of the cooling channel shapes to minimize temperature peaking and material stress. Outcomes from these activities provide design information and feedback into the core design efforts.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

Adaptive Discovery and Mixed-Variable Optimization of Next Generation Synthesizable Microelectronic Materials

Design of new microelectronic materials is characterized by several challenges such as high-dimensionality of the atomic structure-composition variable space, formidable cost of directly using high-fidelity simulations for design optimization, dispersity in literature-reported similar materials and synthesis methods, complex physical mechanisms, and mixed qualitative and quantitative design variables that lead to a disjointed design space. Even though machine learning (ML) techniques have been employed to expedite materials innovation, existing methods treat ML and design optimization as two separate processes, failing to resolve the fundamental challenges associated with high dimensionality and mixed-variable complexity. We have developed a ML enhanced mixed-variable material design optimization framework to efficiently extract useful information from existing data in literature and physics-based simulations to guide the autonomous search for optimal materials. Our proposed framework is composed of four computational modules: (1) a natural language processing (NLP) based virtual screening module, (2) classification based concept exploration module, (3) a density functional theory (DFT)-based high-fidelity evaluation model, and (4) a novel latent-variable Gaussian process (LVGP) ML model for mixed-variable problems with uncertainty quantification, which seamlessly integrates with Bayesian Optimization (BO) and achieves superb efficiency through embedded physics-based dimension reduction. Our approach is demonstrated and validated using the testbed of functional materials exhibiting metal-insulation transitions (MITs), with the targeted reversible resistivity changes (∼10^5) near room temperature. At the end of the 30-month project, we have developed a series of new ML techniques using NLP, conditional variational autoencoders, active learning, latent-variable Gaussian processes, integrated with Bayesian optimization. Our project has resulted in new predicted MITs compounds and improved understanding of MITs microscopic mechanisms, which in turn will revolutionize microelectronics science to provide energy-saving solutions. Our research has improved both creativity and efficiency in transforming rare-event discoveries of new functional materials to persistent innovations. In addition to open-sourcing the online MIT database and the classification model, the LVGP open source code has been downloaded more than 15,000 times within two years. More than 40 MIT compounds have been identified and many have been pursued experimentally via collaborators. The research results are published in close to 20 collaborative papers in high-impact journals, such as Chem. Mater., Appl. Phys. Rev., Sci. Rep., among others of design space.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Immersive Industrialized Construction Environments for Energy Efficiency Construction Workforce

The National Renewable Energy Laboratory is actively developing and testing Immersive Industrialized Construction Environments (IICE) for construction automation and worker-machine interaction to investigate possible solutions and increase workforce productivity. At full scope and matured functionality, IICE allows us to accelerate the development of and better explore industrialized construction approaches such as prefabrication. IICE also enables wider adoption of energy-efficient products and Industry 4.0 construction automation through worker-machine interaction pilots. Industry 4.0 and industrialized construction approaches can encourage workforce specialization in energy efficiency construction, address the lack of multi-skilled workers, and increase workforce productivity with construction automation. However, recent attempts to integrate these concepts with the industry have only been moderately successful. To address this, focusing the pedagogy on using a digital twin, its digital models, and virtual reality could make the experience of continuing education on construction automation more affordable, accessible, scalable, immersive, and safer, and could greatly improve the efficiency and robustness of the building and construction industry. IICE accurately represents the realities of construction uncertainties without having to create full scale physical prototypes of machines. In this paper, we address the following research question: How can a digital twin and its models in virtual reality enhance the learning experience and productivity of energy efficiency construction workers to gain the skills in operating Industry 4.0 components such as construction automation and handling energy-efficient products in industrialized construction factories and on-site? We introduce original research on developing IICE and present preliminary findings from time and motion pilot studies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRSDate not supplied

ICE-RASSOR: Intelligent Capabilities Enhanced Regolith Advanced Surface Systems Operations Robot

NASA’s Regolith Advanced Surface Systems Operations Robot (RASSOR) is principally designed to mine and deliver regolith for In-Situ Resource Utilization (ISRU) processing. RASSOR’s design enables it to efficiently collect and deposit regolith, return collected material for processing, and myriad related ISRU activities. To reliably perform these operations on the lunar surface, RASSOR software and sensory systems need to be robust and maximize the information extracted from on-board sensory. Herein, we present preliminary findings from the Intelligent Capabilities Enhanced RASSOR project. We apply supervised learning using real data to estimate the soil mass collected without the need for mass flow rate monitors or other explicate sensing techniques. We also create a reduced-order simulation environment to develop autonomous trenching controllers via reinforcement learning and proto-type state estimation architectures. Our initial results suggest that excavated regolith mass can be inferred within 2.9% RMS error of full scale, and reinforcement learning for autonomous operations has learned viable trenching strategies and helped identify desirable sensing capabilities, arrangements, and considerations. Future work includes regolith mass estimation during dynamic operation, expanding our simulation to more complex environments, and transfer learning from simulation to hardware.

machine learning↗

DOE OSTI2020

How Low Can You Go? Using Synthetic 3D Imagery to Drastically Reduce Real-World Training Data for Object Detection

Deep convolutional neural networks (DCNNs) currently provide state-of-the-art performance on image classification and object detection tasks, and there are many global security mission areas where such models could be extremely useful. Crucially, the success of these models is driven in large part by the widespread availability of high-quality open source data sets such as Image Net, Common Objects in Context (COCO), and KITTI, which contain millions of images with thousands of unique labels. However, global security relevant objects-of-interest can be difficult to obtain: relevant events are low frequency and high consequence; the content of relevant images is sensitive; and adversaries and proliferators seek to obscure their activities. For these cases where exemplar data is hard to come-by, even fine-tuning an existing model with available data can be effectively impossible. Recent work demonstrated that models can be trained using a combination of real-world and synthetic images generated from 3D representations; that such models can exceed the performance of models trained using real-world data alone; and that the generated images need not be perfectly realistic (Tremblay, et al., 2018). However, this approach still required hundreds to thousands of real-world images for training and fine tuning, which for sparse, global security-relevant datasets can be an unrealistic hurdle. In this research, we validate the performance and behavior of DCNN models as we drive the number of real-world images used for training object detection tasks down to a minimal set. We perform multiple experiments to identify the best approach to train DCNNs from an extremely small set of real-world images. In doing so, we: Develop state-of-the-art, parameterized 3D models based on real-world images and sample from their parameters to increase the variance in synthetic image training data; Use machine learning explainability techniques to highlight and correct through targeted training the biases that result from training using completely synthetic images; and Validate our results by comparing the performance of the models trained on synthetic data to one another, and to a control model created by fine-tuning an existing ImageNet-trained model with a limited number (hundreds) of real-world images.

97 MATHEMATICS AND COMPUTING↗

NASA NTRSDate not supplied

NASA GPM Status and Future Activities

The joint U.S.-Japan Global Precipitation Measurement (GPM) mission is approaching a decade of operations, and continues to pursue research, dataset production, and outreach related to precipitation. Key activities over the last year were the release of an improved “Version 07” of all GPM precipitation and latent heating products, boosting the orbit of the GPM Core Observatory (GPM CO) to 435 km, and improving quality control on precipitation retrievals from the GPM constellation of passive microwave satellites. This presentation summarizes key improvements to the GPM products and provides some examples of the changes between Versions 06 and 07 in algorithm performance. One important operational change that affected Version 07 is that the scanning strategy for the Ka-band radar channel changed in May 2018; all products that depend on Ka were revised to accommodate this change. For example, in Version 07 the Goddard Profiling (GPROF) algorithm has implemented improvements in regions where orographic enhancement and suppression take place and where the surface is snowy/icy, and again covers radiometers reaching back to 1987. The Combined Radar Radiometer Algorithm (CORRA) now incorporates modified drop-size distribution constraints that substantially reduce bias. Revisions to the Convective-Stratiform Heating (CSH) algorithm employ new radiative transfer retrievals as well as accounting for terrain in the vertical coordinates. Each algorithm was adjusted to ensure continuity for each product across the boundary in 2014 between the predecessor Tropical Rainfall Measuring Mission (TRMM) and the GPM CO. The U.S. Science Team’s Integrated Multi-satellitE Retrievals for GPM (IMERG) was upgraded to account for distortions in the probability density function of regional precipitation rates due to weighted averaging in the Kalman filter used for “morphing” the passive microwave data. Maintaining the GPM CO orbital altitude in the the current very active solar cycle has been forcing the use of more fuel than planned and consequently shortening the forecasted life of the mission from the early 2030's to the late 2020's. It was considered vital to regain some of this lifetime to ensure overlap with the upcoming Atmosphere Observing System mission to provide crosscalibration of instruments. To accomplish this, the orbital altitude was raised from 400 to 435 km on 7-8 November 2023. Thereafter, the primary GPM CO algorithms had to be revised to account for the change in observing parameters. By meeting time this action should be complete. Recently, a screening algorithm based on auto-encoding was developed that uncovered 162 orbits (out of the many thousands of orbits across all years and all satellites) of passive microwave retrievals that had highly anomalous values. Removing these defective retrievals has improved the integrity of both the GPROF and IMERG records. However, the nature of the IMERG processing interacted sufficiently badly with the now-discovered anomalous orbits that it was necessary to completely reprocess the IMERG Final Run record, now labeled Version 07B. The presentation also considers major issues that require continued attention, including the use of machine learning algorithms and the operational challenge of swarms of “small”, perhaps short-lived satellites.

GPM↗

DOE OSTI2023

Comparison of metagenomes from fermentation of various agroindustrial residues suggests a common model of community organization

The liquid residue resulting from various agroindustrial processes is both rich in organic material and an attractive source to produce a variety of chemicals. Using microbial communities to produce chemicals from these liquid residues is an active area of research, but it is unclear how to deploy microbial communities to produce specific products from the different agroindustrial residues. To address this, we fed anaerobic bioreactors one of several agroindustrial residues (carbohydrate-rich lignocellulosic fermentation conversion residue, xylose, dairy manure hydrolysate, ultra-filtered milk permeate, and thin stillage from a starch bioethanol plant) and inoculated them with a microbial community from an acid-phase digester operated at the wastewater treatment plant in Madison, WI, United States. The bioreactors were monitored over a period of months and sampled to assess microbial community composition and extracellular fermentation products. We obtained metagenome assembled genomes (MAGs) from the microbial communities in each bioreactor and performed comparative genomic analyses to identify common microorganisms, as well as any community members that were unique to each reactor. Collectively, we obtained a dataset of 217 non-redundant MAGs from these bioreactors. This metagenome assembled genome dataset was used to evaluate whether a specific microbial ecology model in which medium chain fatty acids (MCFAs) are simultaneously produced from intermediate products (e.g., lactic acid) and carbohydrates could be applicable to all fermentation systems, regardless of the feedstock. MAGs were classified using a multiclass classification machine learning algorithm into three groups, organisms fermenting the carbohydrates to intermediate products, organisms utilizing the intermediate products to produce MCFAs, and organisms producing MCFAs directly from carbohydrates. This analysis revealed common biological functions among the microbial communities in different bioreactors, and although different microorganisms were enriched depending on the agroindustrial residue tested, the results supported the conclusion that the microbial ecology model tested was appropriate to explain the MCFA production potential from all agricultural residues.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2025

Backpropagation-based learning with local derivative approximation and memory replay in biologically plausible neural systems

When learning, the brain modifies individual synaptic connections to reach a desired behavior. Animal and human brains have been shown to be incredibly capable of learning complex and varied functions across a wide variety of tasks. In recent years, artificial neural networks, inspired by human and animal brains, have shown great capabilities in learning a wide variety of difficult tasks. However, artificial neural networks primarily teach themselves through the use of backpropagation, a learning method which has no clear analogue within the brain. Additionally, Artificial Neural Networks primarily use continuous activation functions, which differ significantly from the spiking neuronal behavior present in the brain. In this paper, we discuss and demonstrate a biologically plausible learning method that approximates backpropagation through two techniques on Spiking Neural Networks. First, we show that the local temporal derivatives that are necessary for backpropagation can be approximately recovered through reconstruction using spike timings. Second, we show that through learning during a sleep phase, inspired by neuroscience research into memory replay, the localized parallel feedback path can learn to approximate the derivative through the forward path weight matrix, thus solving the weight transport problem. Lastly, we demonstrate that the combination of these two methods can approach or exceed the accuracy of backpropagation-based methods for a variety of neuromorphic vision tasks while maintaining biological plausibility.

42 ENGINEERING↗

NASA NTRSDate not supplied

Spacecraft Material Characterization Using Reflectance Spectra Extracted from RGB/IR Color Images

The space environment is detrimental to the exterior of the spacecraft and imposes stringent requirements on spacecraft materials. Space materials are often expected to perform for 15-20 years in the harsh space environment without significant degradation of their optical, electrical, mechanical and thermal properties. Further, as commercial activities increase in the space domain, development of predictive capability for material evolution is critical for agile adaption of novel materials. Therefore, it is very important to understand the effects of the space environments on the spacecraft materials. The Materials on the International Space Station Experiment Flight Facility (MISSE-FF) has flown numerous material samples to investigate the effect of LEO space weather exposure on the performance and durability of materials and devices. We are manifest on the MISSE-16 mission, scheduled to launch in June 2022, to fly fifteen novel and well-characterized materials in the LEO environment for a duration of six months. Changes in spectral reflectivity will be measured in real time throughout the mission with an RGB/IR camera. These time-resolved data will function as a "space-truth" reference for our team's ongoing laboratory-based space weather-material interaction experiments. Correlation of the MISSE-16 data with extensive ground testing of duplicate samples under simulated space weather conditions will enable development of fundamental chemical models for material degradation. This paper discusses preliminary results from the ground test campaign to collect the RGB/IR images for pristine and damaged materials and the development of machine learning algorithms to extract reflectance spectra from the color images.

Jainisha R. Shah↗

NASA NTRSDate not supplied

Spacecraft Material Characterization Using Reflectance Spectra Extracted from RGB/IR Color Images

Jainisha R. Shah↗

DOE OSTI2021

Combining artificial intelligence and physics-based modeling to directly assess atomic site stabilities: from sub-nanometer clusters to extended surfaces

The performance of functional materials is dictated by chemical and structural properties of individual atomic sites. In catalysts, for instance, the thermodynamic stability of constituting atomic sites is a key descriptor from which more complex properties, such as molecular adsorption energies and reaction rates, can be derived. In this study, we present a widely applicable machine learning (ML) approach to instantaneously compute the stability of individual atomic sites in structurally and electronically complex nano-materials. Conventionally, we determine such site stabilities using computationally intensive first-principles calculations. With our approach, we predict the stability of atomic sites in sub-nanometer metal clusters of 3–55 atoms with mean absolute errors in the range of 0.11–0.14 eV. To extract physical insights from the ML model, we introduce a genetic algorithm (GA) for feature selection. This algorithm distills the key structural and chemical properties governing the stability of atomic sites in size-selected nanoparticles, allowing for physical interpretability of the models and revealing structure–property relationships. The results of the GA are generally model and materials specific. In the limit of large nanoparticles, the GA identifies features consistent with physics-based models for metal–metal interactions. By combining the ML model with the physics-based model, we predict atomic site stabilities in real time for structures ranging from sub-nanometer metal clusters (3–55 atom) to larger nanoparticles (147 to 309 atoms) to extended surfaces using a physically interpretable framework. Finally, we present a proof of principle showcasing how our approach can determine stable and active nanocatalysts across a generic materials space of structure and composition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2004

Applications of Intelligent Tutoring Systems to Human-Robotic Exploration of Mars

Space missions with small crews extending over several years with time-delay preventing normal conversations with people on earth will raise many challenges for training. Of special interest are possible three-year missions to Mars, requiring refresher instruction and learning new skills based on unexpected problems with machines and environmental conditions. For example, the crew will be required to monitor and repair more complex life support systems for air and water recycling than we even know how to build today. Highly educated astronauts, often with several doctorate degrees, require a very different mode of interaction than we have developed for school children or even typical college students. Explanation methods may need to differ-using analogies and techniques from different domains-depending on whether the astronaut is an astrophysicist, a pilot, or a geologist.Virtual reality (e.g., for Hubble repair missions) and "integrated" simulations (involving role-playing and emphasizing failure scenarios) are the most common advanced forms of instruction used in space flight today. The emphasis is on collaborative, embodied interaction with the same workstations and tools used in practice (e.g., a cockpit simulator). Otherwise, computerized instructional technology used by NASA is not model-based or tutorial in nature. This discussion will review some of the key instructional methods used at NASA over the past two decades and consider why ITS methods have not been exploited. Some of the problems and opportunities for training for Mars missions are examined, including how using robots in exploration activities will help but raise new training problems. These ideas will be illustrated with examples from the BrahmsVE system in which a browser- based virtual reality display with avatars allows interacting with a distributed multiagent system, in which agents can be people, robots, or software programs. Using BrahmsVE may provide a way for astronauts to interact with proxies of people who serve as instructional coaches on Mars.

Clancey, William J.↗

DOE OSTI2020

High-Throughput Analysis of Materials for Chemical Looping Processes

Chemical looping is a promising approach for improving the energy efficiency of many industrial chemical processes. However, a major limitation of modern chemical looping technologies is the lack of suitable active materials to mediate the involved subreactions. Identification of suitable materials has been historically limited by the scarcity of high-temperature (>600 °C) thermochemical data to evaluate candidate materials. An accuratethermodynamic approach is demonstrated here to rapidly identify active materials which is applicable to a wide variety of chemical looping chemistries. Application of this analysis to chemical looping combustion correctly classifies 17/17 experimentally studied redox materials by their viability and identifies over 1300 promising yet previously unstudied active materials. This approach is further demonstrated by analyzing redox pairs for mediating a novel chemical looping process for producing pure SO2 from raw sulfur and air which could provide a more efficient and lower emission route to sulfuric acid. 12 promising redox materials for this process are identified, two of which are supported by previous experimental studies of their individual oxidation and reduction reactions. This approach provides the necessary foundation for connecting process design with high-throughput material discovery to accelerate the innovation and development of a wide range of chemical looping technologies.

chemical looping↗

DOE OSTI2020

Super-resolution and signal separation in contact Kelvin probe force microscopy of electrochemically active ferroelectric materials

In this work, imaging mechanisms in contact Kelvin probe force microscopy (cKPFM) are explored via information theory-based methods. Gaussian processes are used to achieve super-resolution in the cKPFM signal, effectively extrapolating across the spatial and parameter space. Tensor factorization is applied to reduce the multidimensional signal to the tensor convolution of the scalar functions that show a clear trending behavior with the imaging parameters. These methods establish a workflow for the analysis of the multidimensional datasets that can then be related to the relevant physical mechanisms. We also provide an interactive Google Colab notebook that goes through all the analyses discussed in the paper.

36 MATERIALS SCIENCE↗