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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2

A geo-visual analysis for exploring the socioeconomic benefits of the heating electrification using geothermal energy

In parallel to population growth and climate change, the rapid pace of urbanization worldwide has led to an enormous increase in energy demand and costs in urban areas. The subsequent energy burden has become an increasing concern for many households in the U.S. Previous studies have revealed that geothermal resources can effectively lower the electricity demand and carbon emissions in large cities. In this paper, we focus on the socioeconomic impacts of geothermal energy on urban systems by presenting an interactive visual analytics dashboard. The dashboard allows urban planners to spatially examine geothermal energy's practical benefits on energy affordability, urban livability, and resilience across the U.S. We compiled a list of socioeconomic metrics by integrating the simulation results from multiple geothermal and building models with multi-domain urban datasets (socioeconomic, demographic, and electricity utility). These metrics are created to characterize the benefits of the heating electrification of buildings using Geothermal Heat Pumps (GHP) for lowering the energy burden of middle-and low-income households nationwide. The visual dashboard employs a combination of multivariate, glyph-based, and geospatial visualization to reveal the variability and patterns in our metrics. We present a pilot study to demonstrate the GHPs' potential as a renewable and affordable solution for increasing the economic and energy grid resilience in U.S cities.

Xu, Haowen↗

Accelerated Probabilistic Marching Cubes by Deep Learning for Time-Varying Scalar Ensembles

Visualizing the uncertainty of ensemble simulations is challenging due to the large size and multivariate and temporal features of en-semble data sets. One popular approach to studying the uncertainty of ensembles is analyzing the positional uncertainty of the level sets. Probabilistic marching cubes is a technique that performs Monte Carlo sampling of multivariate Gaussian noise distributions for positional uncertainty visualization of level sets. However, the technique suffers from high computational time, making interactive visualization and analysis impossible to achieve. This paper introduces a deep-learning-based approach to learning the level-set uncertainty for two-dimensional ensemble data with a multivariate Gaussian noise assumption. We train the model using the first few time steps from time-varying ensemble data in our workflow. We demonstrate that our trained model accurately infers uncertainty in level sets for new time steps and is up to 170X faster than that of the original probabilistic model with serial computation and 10X faster than that of the original parallel computation.

Han, Mengjiao↗

PyKrev: A Python Library for the Analysis of Complex Mixture FT-MS Data

In this study, we present PyKrev, a Python library for the analysis of complex mixture Fourier transform mass spectrometry (FT-MS) data. PyKrev is a comprehensive suite of tools for analysis and visualization of FT-MS data after formula assignment has been performed. These comprise formula manipulation and calculation of chemical properties, intersection analysis between multiple lists of formulas, calculation of chemical diversity, assignment of compound classes to formulas, multivariate analysis, and a variety of visualization tools producing van Krevelen diagrams, class histograms, PCA score, and loading plots, biplots, scree plots, and UpSet plots. The library is showcased through analysis of hot water green tea extracts and Scotch whisky FT-ion cyclotron resonance-MS data sets. PyKrev addresses the lack of a single, cohesive toolset for researchers to perform FT-MS analysis in the Python programming environment encompassing the most recent data analysis techniques used in the field.

47 OTHER INSTRUMENTATION↗

EPIsembleVis: A geo-visual analysis and comparison of the prediction ensembles of multiple COVID-19 models

In this work, we present EPIsembleVis, a web-based comparative visual analysis tool for evaluating the consistency of multiple COVID-19 prediction models. Our approach analyzes a collection of COVID-19 predictions from different epidemiological models as an ensemble and utilizes two metrics to quantify model performance. These metrics include (a) prediction uncertainty (represented as the dispersion of predictions in each ensemble) and (b) prediction error (calculated by comparing individual model predictions with the recorded data). Through an interactive visual interface, our approach provides a data-driven workflow for (a) selecting and constructing the COVID-19 model prediction ensemble based on the spatiotemporal overlap of available predictions of multiple epidemiological models, (b) quantifying the model performance using both the uncertainty of each model prediction ensemble, and the error of each ensemble member that represents individual model predictions, and (c) visualizing the spatiotemporal variability in the projection performance of individual models using a suite of novel ensemble visualization techniques, such as the data availability map, a spatiotemporal textured-tile calendar, multivariate rose chart, and time-series leaflet glyph. We demonstrate the capability of our ensemble visual interface through a case study that investigates the performance of weekly COVID-19 predictions, which are provided through the COVID-19 Forecast Hub UMass-Amherst Influenza Forecasting Center of Excellence [47] for the United States and United States Territories. The EPIsembleVis tool is implemented using open-source web technologies and adaptive system design, rendering it interoperable with Elasticsearch and Kibana for automatically ingesting COVID-19 predictions from online repositories, and it is generalizable for analyzing worldwide projections from more epidemiological models.

60 APPLIED LIFE SCIENCES↗

Knowledge-matching based computational framework for genome-scale metabolic model refinement

Genome-scale metabolic models (GEMs) are mathematically structured knowledge base reconstructed from annotated genome of different organisms. With the advancement of next-generation sequencing technology, many organisms have had their genomes sequenced. However, obtaining a high-quality GEM is highly time-consuming, even with the introduction of several genome-scale reconstruction tools that offer automated draft network generation and gap filling. It has been recognized that the iterative process of manual curation and refinement is the limiting step of GEM development, and how to expedite the GEM refinement is still an open question. As cellular metabolism is a complex system with very high degree of freedom and redundancy, the principles and techniques developed in process systems engineering can be adapted to expedite GEM refinement. In this paper we present a knowledge-matching based computation framework for GEM refinement, and demonstrate the effectiveness of the proposed solution using the refinement of a GEM for Clostridium tyrobutyricum.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Information-Theoretic Exploration of Multivariate Time-Varying Image Databases

Modern scientific simulations produce very large datasets, making interactive exploration of such data computationally prohibitive. An increasingly common data reduction technique is to store visualizations and other data extracts in a database. The Cinema project is one such approach, storing visualizations in an image database for post hoc exploration and interactive image-based analysis. This work focuses on developing efficient algorithms that can quantify various types of multivariate dependencies existing within multi-variable datasets. It applies specific mutual information measures for the quantification of salient regions from multivariate image data. Here, using such information measures, the opacity of the images is modulated so that the salient regions are automatically highlighted and the domain scientists can interactively explore the most relevant regions for scientific discovery.

97 MATHEMATICS AND COMPUTING↗

STSR-INR: Spatiotemporal super-resolution for multivariate time-varying volumetric data via implicit neural representation

Implicit neural representation (INR) has surfaced as a promising direction for solving different scientific visualization tasks due to its continuous representation and flexible input and output settings. We present STSR-INR, an INR solution for generating simultaneous spatiotemporal super-resolution for multivariate time-varying volumetric data. Inheriting the benefits of the INR-based approach, STSR-INR supports unsupervised learning and permits data upscaling with arbitrary spatial and temporal scale factors. Unlike existing GAN- or INR-based super-resolution methods, STSR-INR focuses on tackling variables or ensembles and enabling joint training across datasets of various spatiotemporal resolutions. Here we achieve this capability via a variable embedding scheme that learns latent vectors for different variables. In conjunction with a modulated structure in the network design, we employ a variational auto-decoder to optimize the learnable latent vectors to enable latent-space interpolation. To combat the slow training of INR, we leverage a multi-head strategy to improve training and inference speed with significant speedup. We demonstrate the effectiveness of STSR-INR with multiple scalar field datasets and compare it with conventional tricubic+linear interpolation and state-of-the-art deep-learning-based solutions (STNet and CoordNet).

97 MATHEMATICS AND COMPUTING↗

Accelerating Multivariate Functional Approximation Computation with Domain Decomposition Techniques⋆

Modeling large datasets through Multivariate Functional Approximations (MFA) provide an elegant way to handle many visualization and scientific analysis workflows. The process necessitates scalable data partitioning methods to compute MFA representations efficiently without compromising the accuracy or continuity of the reconstructed solution. We propose a domain -decomposed method for computing the MFA with B -spline bases, which reduces the total work per task and uses a restricted Additive Schwarz (RAS) method to converge the control point data degrees -of -freedom along subdomain boundaries. We provide an in-depth analysis of the parallel approach with domain decomposition solvers, aiming to minimize local subdomain error residuals and recover high -order continuity at subdomain interfaces with appropriate choices of knot overlaps. The communication cost, determined by the overlap regions in the RAS implementation, is optimized to recover the numerical error profile of the single subdomain case. Our proposed method stands in contrast to previous methods, which typically only recover either C 0 or at best C 1 continuity for arbitrary B -spline degree expansions, or those that require post -processing to blend discontinuities in the reconstructed data. We demonstrate the effectiveness of our approach using analytical and real -world datasets in 1D, 2D, and 3D through both strong and weak scaling studies. The performance results indicate that the overall cost of computing the approximation is directly proportional to the underlying nearest -neighbor communication implementation, and is only weakly dependent on the overlap region size that determines the size of the messages. This finding underscores the efficiency and scalability of our proposed method, making it a promising solution for handling large datasets in scientific workflows.

additive Schwarz solvers↗

Visualization for Insight and Data Analysis in Energy Research

This talk explores how advanced visualization technologies are transforming analytical reasoning and knowledge discovery in energy research, drawing on recent work at the National Laboratory of the Rockies' Computational Science Center. Through a series of scientific case studies, we demonstrate how immersive and high-resolution visualization environments enable scientists and engineers to identify previously unseen patterns and features - insights that often remain hidden in traditional desktop-based analysis. By embedding richer information into interactive analytics tools, these approaches support the exploration of complex, multivariate parameter spaces, where interaction itself catalyzes understanding. Beyond capability, we emphasize the critical role of visualization design grounded in perception and cognition, showing how visual encodings directly influence analytical outcomes. Spanning applications from materials science to integrated energy systems, these visualization approaches accelerate innovation and improve decision-making by enabling deeper, more reliable insight into increasingly complex energy data.

97 MATHEMATICS AND COMPUTING↗

Quantification of manganese for ChemCam Mars and laboratory spectra using a multivariate model

In this work, we report a new calibration model for manganese using the laser-induced breakdown spectroscopy instrument that is part of the ChemCam instrument suite onboard the NASA Curiosity rover. The model has been trained using an expanded set of 523 manganese-bearing rock, mineral, metal ore, and synthetic standards. The optimal calibration model uses the Partial Least Squares (PLS) and Least Absolute Shrinkage and Selection Operator (LASSO) multivariate techniques, with a novel “double blending” technique. We determined the detection limit for manganese is 82 ppm using a method blank procedure and is possibly as low as 27 ppm based on visual inspection of the spectra. Based on a representative test set consisting of measurements on 93 standards, the double blended multivariate model shows a Root Mean Squared Error of Prediction (RMSEP) accuracy of 1.39 wt% MnO for the full blended model. Employing a local RMSEP estimate where the model performance is evaluated based on nearby test samples, the accuracy is 0.03 wt% at the quantification limit (0.05 wt% MnO), 0.4 wt% accuracy at 1.0 wt% MnO, and 4.4 wt% accuracy at 100 wt% MnO. Precision is estimated using the standard deviation of the test set measurements, and is ±0.01 wt% MnO at the quantification limit, ±0.09 wt% MnO at 1.0 wt% MnO, and ± 2.1 wt% MnO at 100 wt% MnO (all 1 standard deviation). This new calibration is important for understanding the variation of manganese in the bedrock with the Curiosity rover on Mars, which provides insight into past redox conditions on Mars.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Decoding the Mechanisms of Phase Transitions from In Situ Microscopy Observations

Abstract Analysis of the temperature‐ and stimulus‐dependent imaging data toward elucidation of the physical transformations is an ubiquitous problem in multiple fields. Here, temperature‐induced phase transition in BaTiO 3 is explored using the machine learning analysis of domain morphologies visualized via variable‐temperature scanning transmission electron microscopy (STEM) imaging data. This approach is based on the multivariate statistical analysis of the time or temperature dependence of the statistical descriptors of the system, derived in turn from the categorical classification of observed domain structures or projection on the continuous parameter space of the feature extraction‐dimensionality reduction transform. The proposed workflow offers a powerful tool for the exploration of the dynamic data based on the statistics of image representation as a function of the external control variable to visualize the transformation pathways during phase transitions and chemical reactions. This can include the mesoscopic STEM data as demonstrated here, but also optical, chemical imaging, etc., data. It can further be extended to the higher dimensional spaces, for example, analysis of the combinatorial libraries of materials compositions.

Valleti, Sai Mani Prudhvi↗

Multidimensional scaling informed by F -statistic: Visualizing grouped microbiome data with inference

Multidimensional scaling (MDS) is a widely used dimensionality reduction technique in microbial ecology data analysis that captures the multivariate structure of the data while preserving pairwise distances between samples. While improvements in MDS have enhanced the ability to reveal group-specific data patterns, these MDS-based methods require prior assumptions for inference, limiting their application in general microbiome analysis. Here, in this study, we introduce a new MDS-based ordination method, “F-informed MDS,” which configures the data distribution based on the F-statistic, the ratio of dispersion between groups sharing common and different characteristics. Using semisynthetic datasets, we demonstrate that the proposed method is robust to hyperparameter selection while maintaining statistical significance throughout the ordination process. Various quality metrics for evaluating dimensionality reduction confirm that F-informed MDS is comparable to state-of-the-art methods in preserving both local and global data structures. Its application to a diatom-associated bacterial community suggests the role of this new method in interpreting the community’s response to the host. Our approach offers a well-founded refinement of MDS that aligns with statistical test results, which can be beneficial for broader multidimensional data analyses in microbiology and ecology. This new visualization tool can be incorporated into standard microbiome data analyses.

Biological and medical sciences↗

Advanced Visualization for Scientific Data Analysis and Insight [Slides]

This talk will explore how we have used advanced visualization technologies to support analytical reasoning and knowledge discovery. Specifically, we will present several examples detailing some recent scientific successes using state-of-the-art immersive and high-resolution visualization at the National Renewable Energy Laboratory's Computational Science Center. On multiple occasions, we have observed scientists and engineers discover features in their data using advanced visualization technologies that they had not seen in prior investigations of their data on traditional desktop displays. We have embedded more information into our analytics tools, allowing engineers to explore complex multivariate spaces. We have observed how interactions seem to catalyze understanding.

97 MATHEMATICS AND COMPUTING↗

Screening of Heritage Data for Improving Toughness of Creep-Resistant Martensitic Steels

Data science methods were used to quantify the effect of alloying additions on the tensile behavior of martensitic steels. The effort was undertaken to exploit the heritage data to establish the next experimental design space for the class of 9–12 wt% Cr steels for the application of turbine rotors with an operating temperature of 650 °C and above. Linear, lasso, and multivariate multiple regression models were utilized to identify which alloying elements contribute towards strength and ductility. Visualization techniques such as t-distributed stochastic neighbor embedding and pair-wire element specific comparisons were utilized to explore information gaps that exist within the data. Our research found that tantalum, recently added to improve the creep rupture lifetime, does not show any effect on tensile properties. All combined, the results suggest that the low tempering temperature has compensated for the low alloying additions in the past, therefore, new experiments are needed to isolate the effects of tempering temperature from those of individual elements.

36 MATERIALS SCIENCE↗

Visualization of the Oscillatory Dynamics of an Island Power System

In this work, we discuss the design of visualizations for understanding the complex oscillatory dynamics of an island power system with renewable generation sources after the loss of a large oil power plant. As more renewable generation sources are added to power systems, the oscillatory dynamics will change, which requires new visualization techniques to determine causes and strategies to avoid unwanted behaviors in the future. Our approach integrates geographic views, time-series plots, and novel oscillatory-trajectory curves, providing unique insights into the interdependent oscillatory behaviors of multiple state variables and generators over time. By enabling multi-node and multivariate comparisons over time, users can qualitatively determine drivers of oscillations and differences in generator dynamics, which is not possible with other commonly used visualization techniques.

inverters↗

Visualization of the Oscillatory Dynamics of an Island Power System: Preprint

In this work, we discuss the design of visualizations for understanding the complex oscillatory dynamics of an island power system with renewable generation sources after the loss of a large oil power plant. As more renewable generation sources are added to power systems, the oscillatory dynamics will change, which requires new visualization techniques to determine causes and strategies to avoid unwanted behaviors in the future. Our approach integrates geographic views, time-series plots, and novel oscillatory-trajectory curves, providing unique insights into the interdependent oscillatory behaviors of multiple state variables and generators over time. By enabling multi-node and multivariate comparisons over time, users can qualitatively determine drivers of oscillations and differences in generator dynamics, which is not possible with other commonly used visualization techniques.

inverters↗

Propofol Compared to Midazolam Sedation and to General Anesthesia for Percutaneous Microwave Ablation in Patients with Hepatic Malignancies: A Single-Center Comparative Analysis of Three Historical Cohorts

Purpose: In percutaneous ablation procedures, periprocedural pain, unrest and respiratory concerns can be detrimental to achieve a safe and efficacious ablation and impair treatment outcome. This study aimed to compare the association between anesthetic technique and local disease control in patients undergoing percutaneous microwave ablation (MWA) of colorectal liver metastases (CRLM) and hepatocellular carcinoma (HCC). Materials and Methods: This IRB-exempted single-center comparative, retrospective analysis of three cohorts analyzed 90 patients treated for hepatic malignancies from January 2013 until September 2018. The local tumor progression-free survival (LTPFS), safety and periprocedural pain perception were assessed using univariate and multivariate Cox proportional hazard regression analyses to correct for potential confounders. Results: In 114 procedures (22 general anesthesia; 32 midazolam; 60 propofol), 171 liver tumors (136 CRLM; 35 HCC) were treated with percutaneous MWA. Propofol and general anesthesia were superior to midazolam/fentanyl sedation regarding LTPFS (4/94 [4.3%] vs. 19/42 [45.2%] vs. 2/35 [5.7%]; P < 0.001, respectively). Local tumor progression rate was 14.6% (25/171). Eighteen tumors (72.0%) were retreated by ablation. Of them, 14 (78%) were previously treated with midazolam. Propofol versus midazolam (P < 0.001), general anesthesia versus midazolam (P = 0.016), direct postprocedural visual analog pain score above 5 (P = 0.050) and more than one tumor per procedure (P = 0.045) were predictors for LTPFS. Multivariate analysis revealed that propofol versus midazolam (HR 7.94 [95% CI 0.04–0.39; P < 0.001]) and general anesthesia versus midazolam (HR 6.33 [95% CI 0.04–0.69; P = 0.014]) were associated with LTPFS. Pain during and directly after treatment was significantly worse in patients who received midazolam sedation (P < 0.001). Conclusions: Compared to propofol and general anesthesia, midazolam/fentanyl sedation was associated with an increased periprocedural perception of pain and lower local tumor progression-free survival. To reduce the number of repeat procedures required to eradicate hepatic malignancies, general anesthesia and propofol sedation should be favored over midazolam.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

mvBayesR

SAND2025-11559O The mvBayesR tool performs multivariate Bayesian analysis on generic data. It includes tools for regression modeling, diagnosis, basis decomposition, sensitivity analysis, and visualization. The tool compiles state-of-the-art methodology into one easy-to-use package. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Tucker, James [Sandia National Lab. (SNL-CA), Live↗