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NASA NTRSDate not supplied

Combining RNA-SEQ Datasets from NASA GENELAB: An Evaluation of Correction Methods

Background: Conducting space biology experiments aboard the International Space Station, particularly those utilizing complex model organisms like mice, is expensive and difficult due to limited crew availability, hardware, and space. As a result, sample numbers from these studies are low, reducing the statistical power of any one experiment. Aggregating spaceflight datasets serves as a method to increase sample numbers, allowing for novel insights through bioinformatic analysis of ‘omics data from merged datasets. However, aggregating datasets can introduce unwanted variation including 1) differences in sample handling, processing, and sequencing platforms between datasets (technical variation) as well as 2) differences in experimental design between datasets. Methods: In the present study, NASA GeneLab-hosted RNAseq datasets from mouse liver tissues were used to evaluate several statistical methods to correct for this unwanted variation through two approaches, reference-based and standard. The following correction algorithms were applied with (reference-based) and/or without (standard) considering Universal Mouse RNA Reference samples: ComBat and ComBat_seq from the SVA package, the median polish, empirical Bayes, and ANOVA-based algorithms from the MBatch package, and negative binomial regression normalization in the DESeq2 package. For each approach, after the correction algorithm was applied, differential gene expression (DGE) analysis of flight and ground control samples was performed with the combined data. The robustness of each tool was evaluated using BatchQC to determine statistical differences between datasets before and after correction, Principal Component Analysis to evaluate global gene expression in samples before and after correction, and by comparing DGE analysis of individual datasets and combined datasets before and after correction. Results: The results showed that the reference-based approach introduced several additional (and likely artificial) differentially expressed genes when compared with the respective standard approach. Conclusions: Of the methods tested, standard ComBat_seq and DESeq2 were identified as the most robust correction methods for combining spaceflight mouse liver RNAseq datasets hosted on GeneLab.

Finsam Samson↗

DOE OSTI2024

Machine Learning Correlation of Electron Micrographs and ToF-SIMS for the Analysis of Organic Biomarkers in Mudstone

The spatial distribution of organics in geological samples can be used to determine when and how these organics were incorporated into the host rock. Mass spectrometry (MS) imaging can rapidly collect a large amount of data, but ions produced are mixed without discrimination, resulting in complex mass spectra that can be difficult to interpret. Here, we apply unsupervised and supervised machine learning (ML) to help interpret spectra from time-of-flight-secondary ion mass spectrometry (ToF-SIMS) of an organic-carbon-rich mudstone of the Middle Jurassic of England (UK). It was previously shown that the presence of sterane molecular biomarkers in this sample can be detected via ToF-SIMS (Pasterski, M. J. et al., Astrobiology 2023, 23, 936). We use unsupervised ML on scanning electron microscopy–electron dispersive spectroscopy (SEM-EDS) measurements to define compositional categories based on differences in elemental abundances. We then test the ability of four ML algorithms─k-nearest neighbors (KNN), recursive partitioning and regressive trees (RPART), eXtreme gradient boost (XGBoost), and random forest (RF)─to classify the ToF-SIM spectra using (1) the categories assigned via SEM-EDS, (2) organic and inorganic labels assigned via SEM-EDS, and (3) the presence or absence of detectable steranes in ToF-SIMS spectra. In terms of predictive accuracy and balanced accuracy, KNN was the best performing model and RPART the worst. The feature importance, or the specific features of the ToF-SIM spectra used by the models to make classifications, cannot be determined for KNN, preventing posthoc model interpretation. Nevertheless, the feature importance extracted from the other models was useful for interpreting spectra. In conclusion, we determined that some of the organic ions used to classify biomarker containing spectra may be fragment ions derived from kerogen which is abundant in this mudstone sample.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Report on PTT Imaging of Defects in AM Metallic Materials-Part 2

36 MATERIALS SCIENCE↗

DOE OSTI2022

Pulsed Thermal Tomography Nondestructive Examination of Additively Manufactured Reactor Materials and Components (Final Technical Report)

Metal Additive Manufacturing (AM) is a promising method for cost-efficient fabrication of complex shape structures for applications in harsh environment, such as in a nuclear reactor. However, internal defects (pores) occur in high-strength AM alloys, which are manufactured with Laser Powder Bed Fusion (LPBF) AM method. Pulsed Infrared Thermography (PIT) is an efficient nondestructive evaluation (NDE) method to examine actual structures, because this method offers one-sided non-contact measurements, and fast processing of large sample areas. However, imaging of material defects, particularly defects with sizes at microscopic level, is challenging. In this report, we benchmark the performance of several Unsupervised Learning (UL) algorithms designed to enhance imaging of microscopic defects in metals with PIT. UL aims to learn the latent principal patterns (dictionaries) in PIT data to detect defects with minimal human supervision. Performance of Independent Component Analysis (ICA), Sparse Coding (SC), Principal Component Analysis (PCA) and Exploratory Factor Analysis (EFA) was compared using F-score, UL model training time and defects reconstruction time. We obtained the average F-score of 0.75, and a highest F-score of 0.89 for the EFA algorithm. Overall, EFA outperforms other UL algorithms considered in this study. In another approach, we investigate Thermal Tomography (TT), which is a computational method for reconstruction of depth profile of internal material defects from PIT nondestructive evaluation (NDE). TT algorithm obtains depth reconstructions of thermal effusivity, which has been shown to provide visualization of subsurface internals defects in metals. In many applications, one needs to determine the defect shape and orientation from reconstructed effusivity images. Interpretation of TT images is non-trivial because of blurring, which increases with depth due to heat diffusion-based nature of image formation. We have developed a deep learning convolutional neural network (CNN) to classify size and orientation of subsurface material defects in TT images. CNN was trained with TT images produced with computer simulations of 2D metallic structures (thin plates) containing elliptical subsurface voids. Performance of CNN was investigated using test TT images developed with computer simulations of plates containing elliptical defects, and defects with shape imported from scanning electron microscopy (SEM) images. CNN demonstrated the ability to classify radii and angular orientation of elliptical defects in previously unseen test TT images. We have also demonstrated that CNN trained on TT images of elliptical defects is capable of classifying shape and orientation of irregular defects. Training the CNN on irregular defect shapes instead of on elliptical shapes would make the resulting classifications more descriptive of actual defect shapes. However, this requires a much higher volume of SEM images of material defects, which are difficult to obtain because of random occurrence of defects in LPBF. To address this challenge, we developed a generative adversarial network (GAN) to augment the existing dataset of SEM defect images. The GAN model is demonstrated to create novel yet realistic defect shapes that can be used as input for simulated PTT images to train CNN. We also investigate several approaches based on Gaussian Random Circle and Bezier Curves for constructing parametric models of irregular-shape defects.

36 MATERIALS SCIENCE↗

NASA NTRS1987

Variational four-dimensional analysis using quasi-geostrophic constraints

A variational four-dimensional analysis technique using quasi-geostrophic models as constraints is examined using gridded fields as data. The analysis method uses a standard iterative nonlinear minimization technique to find the solution to the constraining forecast model which best fits the data as measured by a predefined functional. The minimization algorithm uses the derivative of the functional with respect to each of the initial condition values. This derivative vector is found by inserting the weighted differences between the model solution and the inserted data into a backwards integrating adjoint model. The four-dimensional analysis system was examined by applying it to fields created from a primitive equations model forecast and to fields created from satellite retrievals. The results show that the technique has several interesting characteristics not found in more traditional four-dimensional assimilation techniques. These features include a close fit of the model solution to the observations throughout the analysis interval and an insensitivity to the frequency of data insertion or the amount of data. The four-dimensional analysis technique is very versatile and can be extended to more complex problems with little theoretical difficulty.

Derber, John C.↗

NASA NTRS2011

Model-Based Diagnostics for Propellant Loading Systems

The loading of spacecraft propellants is a complex, risky operation. Therefore, diagnostic solutions are necessary to quickly identify when a fault occurs, so that recovery actions can be taken or an abort procedure can be initiated. Model-based diagnosis solutions, established using an in-depth analysis and understanding of the underlying physical processes, offer the advanced capability to quickly detect and isolate faults, identify their severity, and predict their effects on system performance. We develop a physics-based model of a cryogenic propellant loading system, which describes the complex dynamics of liquid hydrogen filling from a storage tank to an external vehicle tank, as well as the influence of different faults on this process. The model takes into account the main physical processes such as highly nonequilibrium condensation and evaporation of the hydrogen vapor, pressurization, and also the dynamics of liquid hydrogen and vapor flows inside the system in the presence of helium gas. Since the model incorporates multiple faults in the system, it provides a suitable framework for model-based diagnostics and prognostics algorithms. Using this model, we analyze the effects of faults on the system, derive symbolic fault signatures for the purposes of fault isolation, and perform fault identification using a particle filter approach. We demonstrate the detection, isolation, and identification of a number of faults using simulation-based experiments.

Daigle, Matthew John↗

NASA NTRS2000

Airbreathing Propulsion System Analysis Using Multithreaded Parallel Processing

In this paper, parallel processing is used to analyze the mixing, and combustion behavior of hypersonic flow. Preliminary work for a sonic transverse hydrogen jet injected from a slot into a Mach 4 airstream in a two-dimensional duct combustor has been completed [Moon and Chung, 1996]. Our aim is to extend this work to three-dimensional domain using multithreaded domain decomposition parallel processing based on the flowfield-dependent variation theory. Numerical simulations of chemically reacting flows are difficult because of the strong interactions between the turbulent hydrodynamic and chemical processes. The algorithm must provide an accurate representation of the flowfield, since unphysical flowfield calculations will lead to the faulty loss or creation of species mass fraction, or even premature ignition, which in turn alters the flowfield information. Another difficulty arises from the disparity in time scales between the flowfield and chemical reactions, which may require the use of finite rate chemistry. The situations are more complex when there is a disparity in length scales involved in turbulence. In order to cope with these complicated physical phenomena, it is our plan to utilize the flowfield-dependent variation theory mentioned above, facilitated by large eddy simulation. Undoubtedly, the proposed computation requires the most sophisticated computational strategies. The multithreaded domain decomposition parallel processing will be necessary in order to reduce both computational time and storage. Without special treatments involved in computer engineering, our attempt to analyze the airbreathing combustion appears to be difficult, if not impossible.

Schunk, Richard Gregory↗

NASA NTRS2004

Plumes and Blooms: Observations, Analysis and Modeling for SIMBIOS

The goal of the Plumes and Blooms (PnB) project is to develop, validate and apply to imagery state-of-the-art ocean color algorithms for quantifying sediment plumes and phytoplankton blooms for the Case II environment of the Santa Barbara Channel. We conduct monthly to twice-monthly transect observations across the Santa Barbara Channel to develop an algorithm development and product validation data set. A primary goal is the use the PnB field data set to objectively tune semi-analytical models of ocean color for this site and apply them using available satellite imagery (SeaWiFS and MODIS). However, the comparison between PnB field observations and satellite estimates of primary products has been disappointing. We find that field estimates of water-leaving radiance correspond poorly to satellite estimates for both SeaWiFS and MODIS local area coverage imagery. We believe this is due to poor atmospheric correction due to complex mixtures of aerosol types found in these near-coastal regions.

Maritorena, S.↗

DOE OSTI2025

Automated segmentation and analysis of point clouds of pier foundations using Pier Inspection and Evaluation Report (PIER)

Pier foundations are commonly used in locations with unstable soil or where other types of foundations are unsuitable or cost prohibitive. A pier foundation consists of vertical columns to support the structure and elevate it above the ground. Common materials for pier foundations include masonry, concrete, timber, and steel. The methods for accurate placement of pier foundations have remained relatively unchanged for decades. For simple installations, construction chalk lines are used to layout the locations of piers to ensure accurate placement and elevation. For more complex installations, surveying instruments operated by trained professionals are employed to accurately locate piers and assess correct elevation before construction. After installation, another survey may need to be performed to assess the quality of the as-built foundation. However, with the advent of terrestrial laser scanners (TLS), the means now exist for contractors to conduct their own assessments of as-built foundations. The major barrier preventing contractors from performing their own assessments of as-built foundation quality is the segmentation and analysis of point cloud data, a skill that often requires a trained user. The objective of this research is to develop a software tool (PIER: Pier Inspection and Evaluation Report) to enable automated segmentation and analysis of point clouds of pier foundations. In this paper, the automated segmentation and analysis algorithms are detailed. A mockup lay out of pier foundations was built using concrete masonry units, and the algorithms were tested to evaluate performance. Limitations of the current algorithms and future research direction are discussed.

Turki, Amine [ORNL]↗

NASA NTRS1993

Applications of wavelet-based compression to multidimensional Earth science data

A data compression algorithm involving vector quantization (VQ) and the discrete wavelet transform (DWT) is applied to two different types of multidimensional digital earth-science data. The algorithms (WVQ) is optimized for each particular application through an optimization procedure that assigns VQ parameters to the wavelet transform subbands subject to constraints on compression ratio and encoding complexity. Preliminary results of compressing global ocean model data generated on a Thinking Machines CM-200 supercomputer are presented. The WVQ scheme is used in both a predictive and nonpredictive mode. Parameters generated by the optimization algorithm are reported, as are signal-to-noise (SNR) measurements of actual quantized data. The problem of extrapolating hydrodynamic variables across the continental landmasses in order to compute the DWT on a rectangular grid is discussed. Results are also presented for compressing Landsat TM 7-band data using the WVQ scheme. The formulation of the optimization problem is presented along with SNR measurements of actual quantized data. Postprocessing applications are considered in which the seven spectral bands are clustered into 256 clusters using a k-means algorithm and analyzed using the Los Alamos multispectral data analysis program, SPECTRUM, both before and after being compressed using the WVQ program.

Bradley, Jonathan N.↗

DOE OSTI2025

Hardware-Efficient Quantum Phase Estimation via Local Control

Quantum phase estimation plays a central role in quantum simulation as it enables the study of spectral properties of many-body quantum systems. Most variants of the phase estimation algorithm require the application of the global unitary evolution conditioned on the state of one or more auxiliary qubits, posing a significant challenge for current quantum devices. In this work, we present an approach to quantum phase estimation that uses only locally controlled operations, resulting in a significantly reduced circuit depth. At the heart of our approach are efficient routines to measure the complex phase of the expectation value of the time-evolution operator, the so-called Loschmidt echo, for both circuit dynamics and Hamiltonian dynamics. By tracking changes in the phase during the dynamics, the routines trade circuit depth for increased sampling cost and classical postprocessing. Our approach does not rely on reference states and is applicable to any efficiently preparable state, regardless of its correlations. We provide a comprehensive analysis of the sample complexity and illustrate the results with numerical simulations. Our methods offer a practical pathway for measuring spectral properties in large many-body quantum systems using current quantum devices.

Schiffer, Benjamin F. [Max Planck Institute of Qua↗

DOE OSTI2015

Cyber Security Research Frameworks For Coevolutionary Network Defense

Several architectures have been created for developing and testing systems used in network security, but most are meant to provide a platform for running cyber security experiments as opposed to automating experiment processes. In the first paper, we propose a framework termed Distributed Cyber Security Automation Framework for Experiments (DCAFE) that enables experiment automation and control in a distributed environment. Predictive analysis of adversaries is another thorny issue in cyber security. Game theory can be used to mathematically analyze adversary models, but its scalability limitations restrict its use. Computational game theory allows us to scale classical game theory to larger, more complex systems. In the second paper, we propose a framework termed Coevolutionary Agent-based Network Defense Lightweight Event System (CANDLES) that can coevolve attacker and defender agent strategies and capabilities and evaluate potential solutions with a custom network defense simulation. The third paper is a continuation of the CANDLES project in which we rewrote key parts of the framework. Attackers and defenders have been redesigned to evolve pure strategy, and a new network security simulation is devised which specifies network architecture and adds a temporal aspect. We also add a hill climber algorithm to evaluate the search space and justify the use of a coevolutionary algorithm.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Bayesian calibration of terrestrial ecosystem models: a study of advanced Markov chain Monte Carlo methods

Calibration of terrestrial ecosystem models is important but challenging. Bayesian inference implemented by Markov chain Monte Carlo (MCMC) sampling provides a comprehensive framework to estimate model parameters and associated uncertainties using their posterior distributions. The effectiveness and efficiency of the method strongly depend on the MCMC algorithm used. In this work, a differential evolution adaptive Metropolis (DREAM) algorithm is used to estimate posterior distributions of 21 parameters for the data assimilation linked ecosystem carbon (DALEC) model using 14 years of daily net ecosystem exchange data collected at the Harvard Forest Environmental Measurement Site eddy-flux tower. The calibration of DREAM results in a better model fit and predictive performance compared to the popular adaptive Metropolis (AM) scheme. Moreover, DREAM indicates that two parameters controlling autumn phenology have multiple modes in their posterior distributions while AM only identifies one mode. The application suggests that DREAM is very suitable to calibrate complex terrestrial ecosystem models, where the uncertain parameter size is usually large and existence of local optima is always a concern. In addition, this effort justifies the assumptions of the error model used in Bayesian calibration according to the residual analysis. Here, the result indicates that a heteroscedastic, correlated, Gaussian error model is appropriate for the problem, and the consequent constructed likelihood function can alleviate the underestimation of parameter uncertainty that is usually caused by using uncorrelated error models.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1996

Aerodynamic shape optimization using control theory

Aerodynamic shape design has long persisted as a difficult scientific challenge due its highly nonlinear flow physics and daunting geometric complexity. However, with the emergence of Computational Fluid Dynamics (CFD) it has become possible to make accurate predictions of flows which are not dominated by viscous effects. It is thus worthwhile to explore the extension of CFD methods for flow analysis to the treatment of aerodynamic shape design. Two new aerodynamic shape design methods are developed which combine existing CFD technology, optimal control theory, and numerical optimization techniques. Flow analysis methods for the potential flow equation and the Euler equations form the basis of the two respective design methods. In each case, optimal control theory is used to derive the adjoint differential equations, the solution of which provides the necessary gradient information to a numerical optimization method much more efficiently then by conventional finite differencing. Each technique uses a quasi-Newton numerical optimization algorithm to drive an aerodynamic objective function toward a minimum. An analytic grid perturbation method is developed to modify body fitted meshes to accommodate shape changes during the design process. Both Hicks-Henne perturbation functions and B-spline control points are explored as suitable design variables. The new methods prove to be computationally efficient and robust, and can be used for practical airfoil design including geometric and aerodynamic constraints. Objective functions are chosen to allow both inverse design to a target pressure distribution and wave drag minimization. Several design cases are presented for each method illustrating its practicality and efficiency. These include non-lifting and lifting airfoils operating at both subsonic and transonic conditions.

Reuther, James↗

NASA NTRSDate not supplied

An Approach for Defining IASMS Services, Functions, and Capabilities

Assuring safety in the NAS with the inclusion of new entrants, such as Advanced Air Mobility (AAM), will require overcoming unique safety challenges that result from combining innovative technologies with novel airspace concepts for moving people and cargo using autonomous vehicles. The focus of the In-time Aviation Safety Management System (IASMS) is to overcome AAM’s safety assurance challenges. The IASMS Concept of Operations (ConOps) describes an interconnected set of services, functions, and capabilities (SFCs) designed to manage operational risks, identify unknown risks, and inform system designs. This paper describes an approach for defining SFCs based on technology trends in research, assessment of known and unknown risks in voluntary safety reports, and causal and contributing factors in aviation accidents and incidents. This approach would identify potential SFCs that further expand the Monitor, Assess, and Mitigate (M-A-M) functionality that represents the enabling framework of the IASMS. Safety implications that will result from integration of AAM in the transformation of the National Airspace System (NAS) were addressed in National Academies committees reports on AAM and IASMS. Development of a ConOps for IASMS was a top recommendation and can be represented as a reframing of safety assurance that builds on real-time alerting such as the Traffic Alert and Collision Avoidance System, and adds the more encompassing in-time temporal parameter in recognition of the different timelines for collecting and assessing safety data for risk mitigations. For example, mining for safety trends from data sources such as the Aviation Safety Information Analysis and Sharing system occurs over a longer time period. Research on AAM operations poses that SFCs can be designed to monitor the safety margin appropriate for AAM including with regards to the distance between current flight parameters and nominal ideal conditions. These in-time comparisons will become more complex as the density of operations increases at least in certain areas and can include planned and actual 4D trajectory, and in-time comparisons having implications on conflict modeling and prediction including expected and actual departure time, fix/waypoint crossing times, and arrival time. These comparisons would be integrated as part of SFCs that redefine and inform new safety margin. An increased safety margin improves management of operational risks while reducing the potential for anomalies. An increased safety margin also has implications for operator confidence in the certainty of its operations and trust in automation. Technology trends in research could be used to refine existing SFCs and define needs for additional SFCs that provide safety improvements to the design and operation of vehicles, airspace design, and operator performance requirements. NASA is developing innovative approaches to safeguard against major accidents and incidents that have occurred in the NAS and those anticipated with the inclusion of envisioned AAM operations. The innovations use operational performance data to monitor, detect, and predict flight variations exceeding safe nominal patterns, such as would be caused by navigational error, severe weather complications, or hijacking of UAS controls. These innovative approaches have high potential to prevent accidents and incidents in the new AAM era. It is anticipated that elements of the innovations will evolve into SFCs for the IASMS. Voluntary safety reports can be monitored to identify anomalies related to design or operational performance risks. Reports could be periodically monitored and assessed for specific topics. Reports might serve as weak signals or precursors indicative of emergent risk such as when combined with other safety information. The architecture could include SFCs that are based on voluntary safety reports recognizing the periodic temporal nature of data analysis. As previously mentioned, aviation accidents with their causal and contributing precursors can inform the need for SFCs in the IASMS. Accidents and incidents at San Francisco International Airport such as Asiana 214 and Air Canada 759 illustrate how combinations of different factors lead to increased risk. These types of precursors and different factors have implications on the types of SFCs that could be needed to monitor and manage different sources and types of design and operational risk. Continuing to assure the safety of AAM as designs and operations gain in complexity can be accompanied by defining SFCs that also increase in complexity. These SFCs can leverage information from findings and recommendations synthesized across on-going research, voluntary safety reports, and accident and incident reports. These SFCs can serve to refine accuracy of algorithms and resolve limitations with current practices. The IASMS architecture represents the framework for the SFCs and their critical role in safety assurance.

In-Time Aviation Safety Management System↗

NASA NTRSDate not supplied

Constructing a Knowledge Graph & Applying Graph Algorithms to Draw Insights about GES-DISC Jira Tickets

In order to assess the complexities of Jira tickets created by NASA Goddard Earth Sciences Data and Information Services Center (GES-DISC), it was beneficial to create a knowledge graph. The knowledge graph receives ticket data through the Jira API. The creation of a knowledge graph will help to answer high-level questions about internal structure, knowledge gaps, and team organization within GES-DISC. To work towards this goal, the knowledge graph was constructed in adockerizedNeo4j graph database. Once the graph had been created, graph algorithms were applied to answer high-level questions, such as exploring the role of staff in relation to projects, which qualities of a ticket contribute to the formation of communities within the graph, etc. To answer these questions, centrality and community detection algorithms were applied using Cypher querying language. The analysis of the results of the algorithms indicated that, as expected, certain individuals were more connected to some projects, while others were serving as hub nodes between two or more projects. Similarly, specific keywords are more likely to increase a Jira ticket’s centrality in the graph. In terms of community detection, when tickets in a community have certain qualities, it is more probable for them to be grouped together. To best visualize which nodes had higher centrality scores or were grouped into certain communities, interactive graphs were created in Python using Plotly and Matplotlib. Ultimately, the project was successful in creating and deploying a knowledge graph to better understand the relationships between data in GES-DISC Jira tickets

Rebecca Lipton↗

DOE OSTI2025

Effect of Time Window and Spectral Measurement Options on Empirical Green’s Function Analysis Using DAS Array and Seismic Stations

The recorded seismic waveform is a convolution of event source term, path term, and station term. Removing high-frequency attenuation due to path effect is a challenging problem. Empirical Green’s function (EGF) method uses nearly collocated small earthquakes to correct the path and station terms for larger events recorded at the same station. However, this method is subject to variability due to many factors. Here, we focus on three events that were well recorded by the seismic network and a rapid response distributed acoustic sensing (DAS) array. Using a suite of high-quality EGF events, we assess the influence of time window, spectral measurement options, and types of data on the spectral ratio and relative source time function (RSTF) results. Increased number of tapers (from 2 to 16) tends to increase the measured corner frequency and reduce the source complexity. Extended long time window (e.g., 30 s) tends to produce larger variability of corner frequency. The multitaper algorithm that simultaneously optimizes both target and EGF spectra produces the most stable corner-frequency measurements. The stacked spectral ratio and RSTF from the DAS array are more stable than two nearby seismic stations, and are comparable to stacked results from the seismic network, suggesting that DAS array has strong potential in source characterization.

58 GEOSCIENCES↗

DOE OSTI2023

How reliable is distribution of relaxation times (DRT) analysis? A dual regression-classification perspective on DRT estimation, interpretation, and accuracy

The distribution of relaxation times (DRT) has gained increasing attention and adoption in recent years as a versatile method for analyzing electrochemical impedance spectroscopy (EIS) data obtained from complex devices like fuel cells, electrolyzers, and batteries. The DRT deconvolutes the impedance without a priori specification of a generative model, which is especially useful for interpretation and model selection when the governing principles of the system under study are not fully understood. However, DRT estimation is an ill-posed inversion problem that must be addressed with a subjective choice of regularization and tuning, which leaves substantial risk of misleading interpretations of EIS data. In this work, we suggest a new classification view of the DRT inversion to clarify DRT estimation and interpretation. We introduce a dual regression-classification framework that unifies the classification and regression views of the DRT inversion with wide-reaching implications for DRT analysis. The dual framework is employed to demonstrate a new kind of DRT inversion algorithm and develop novel evaluation metrics that capture previously ignored aspects of DRT accuracy. These approaches are applied to both synthetic data and experimental spectra collected from a protonic ceramic fuel cell and a lithium-ion battery to illustrate their broad utility. The dual inversion algorithm shows promising performance for accurate DRT estimation and autonomous model identification, while the dual evaluation approach produces metrics that meaningfully assess the strengths and risks of DRT algorithms. Here this work provides valuable insight for both practical application of the DRT to experimental data and further development of EIS analysis methods.

36 MATERIALS SCIENCE↗