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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

A framework for stochastic simulations and visualization of biological electron-transfer dynamics

Electron transfer (ET) dictates a wide variety of energy-conversion processes in biological systems. Visualizing ET dynamics could provide key insight into understanding and possibly controlling these processes. We present a computational framework named VizBET to visualize biological ET dynamics, using an outer-membrane Mtr–Omc cytochrome complex in Shewanella oneidensis MR-1 as an example. Starting from X-ray crystal structures of the constituent cytochromes, molecular dynamics simulations are combined with homology modeling, protein docking, and binding free energy computations to sample the configuration of the complex as well as the change of the free energy associated with ET. This information, along with quantum-mechanical calculations of the electronic coupling, provides inputs to kinetic Monte Carlo (KMC) simulations of ET dynamics in a network of heme groups within the complex. Visualization of the KMC simulation results has been implemented as a plugin to the Visual Molecular Dynamics (VMD) software. Finally, VizBET has been used to reveal the nature of ET dynamics associated with novel nonequilibrium phase transitions in a candidate configuration of the Mtr–Omc complex due to electron–electron interactions.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Minimizing development costs for efficient many-core visualization using MCD3

Scientific visualization software increasingly needs to support many-core architectures. However, development time is a significant challenge due to the breadth and diversity of both visualization algorithms and architectures. With this work, we introduce a development environment for visualization algorithms on many-core devices that extends the traditional data-parallel primitive (DPP) approach with several existing constructs and an important new construct: meta-DPPs. We refer to our approach as MCD 3 — Meta-DPPs, Convenience routines, Data management, DPPs, and Devices. The twin goals of MCD 3 are to reduce developer time and to deliver efficient performance on many-core architectures, and our evaluation considers both of these goals. For development time, we study 57 algorithms implemented in the VTK-m software library and determine that MCD 3 leads to significant savings. For efficient performance, we survey ten studies looking at individual algorithms and determine that the MCD 3 hardware-agnostic approach leads to performance comparable to hardware-specific approaches: sometimes better, sometimes worse, and better in the aggregate. In total, we find that MCD 3 is an effective approach for scientific visualization libraries to support many-core architectures.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

An open-source data storage and visualization platform for collaborative qubit control

Developing collaborative research platforms for quantum bit control is crucial for driving innovation in the field, as they enable the exchange of ideas, data, and implementation to achieve more impactful outcomes. Furthermore, considering the high costs associated with quantum experimental setups, collaborative environments are vital for maximizing resource utilization efficiently. However, the lack of dedicated data management platforms presents a significant obstacle to progress, highlighting the necessity for essential assistive tools tailored for this purpose. Current qubit control systems are unable to handle complicated management of extensive calibration data and do not support effectively visualizing intricate quantum experiment outcomes. In this paper, we introduce Qubit Control Storage and Visualization ( QubiCSV ), a platform specifically designed to meet the demands of quantum computing research, focusing on the storage and analysis of calibration and characterization data in qubit control systems. As an open-source tool, QubiCSV facilitates efficient data management of quantum computing, providing data versioning capabilities for data storage and allowing researchers and programmers to interact with qubits in real time. The insightful visualization are developed to interpret complex quantum experiments and optimize qubit performance. QubiCSV not only streamlines the handling of qubit control system data but also improves the user experience with intuitive visualization features, making it a valuable asset for researchers in the quantum computing domain.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Use of computational modeling combined with advanced visualization to develop strategies for the design of crop ideotypes to address food security

Sustainable crop production is a contributing factor to current and future food security. Innovative technologies are needed to design strategies that will achieve higher crop yields on less land and with fewer resources. Computational modeling coupled with advanced scientific visualization enables researchers to explore and interact with complex agriculture, nutrition, and climate data to predict how crops will respond to untested environments. These virtual observations and predictions can direct the development of crop ideotypes designed to meet future yield and nutritional demands. This review surveys modeling strategies for the development of crop ideotypes and scientific visualization technologies that have led to discoveries in “big data” analysis. Combined modeling and visualization approaches have been used to realistically simulate crops and to guide selection that immediately enhances crop quantity and quality under challenging environmental conditions. Lastly, this survey of current and developing technologies indicates that integrative modeling and advanced scientific visualization may help overcome challenges in agriculture and nutrition data as large-scale and multidimensional data become available in these fields.

3D crop modeling↗
DOE OSTI2025

Explainable AI for Multivariate Time Series Pattern Exploration: Latent Space Visual Analytics With Temporal Fusion Transformer and Variational Autoencoders in Power Grid Event Diagnosis

Detecting and analyzing complex patterns in multivariate time-series data is crucial for decision-making in urban and environmental system operations. However, challenges arise from the high dimensionality, intricate complexity, and interconnected nature of complex patterns, which hinder the understanding of their underlying physical processes. Existing AI methods often face limitations in interpretability, computational efficiency, and scalability, reducing their applicability in real-world scenarios. This paper proposes a novel visual analytics framework that integrates two generative AI models, Temporal Fusion Transformer (TFT) and Variational Autoencoders (VAEs), to reduce complex patterns into lower-dimensional latent spaces and visualize them in 2D using dimensionality reduction techniques such as PCA, t-SNE, and UMAP with DBSCAN. These visualizations, presented through coordinated and interactive views and tailored glyphs, enable intuitive exploration of complex multivariate temporal patterns, identifying patterns’ similarities and uncover their potential correlations for a better interpretability of the AI outputs. The framework is demonstrated through a case study on power grid signal data, where it identifies multi-label grid event signatures, including faults and anomalies with diverse root causes. Additionally, novel metrics and visualizations are introduced to validate the models and assess the performance, efficiency, and consistency of latent maps generated by VAE, which have been utilized in prior studies for latent space cartography and used as a benchmark in this study, and the emerging TFT architecture under various configurations. These analyses provide actionable insights for model parameter tuning and reliability improvements. Comparative results highlight that TFT achieves shorter run times and superior scalability to diverse time-series data shapes compared to VAE. This work advances fault diagnosis in multivariate time series, fostering explainable AI to support critical system operations.

Explainable AI↗
DOE OSTI2025

Navigating Uncertainty: Challenges in Visualizing Ensemble Data and Surrogate Models for Decision Systems

Uncertainty visualization plays a critical role in transforming ensemble simulation data into actionable insights by effectively communicating various dimensions of uncertainty within a system. The emergence of artificial intelligence-driven surrogate models trained on multirun ensemble data offers a transformative opportunity to replace computationally intensive simulations with fast estimates, enabling users to explore data spaces with unprecedented depth and interactivity. However, integrating ensemble data and surrogate models into decision-making workflows and tools introduces novel challenges for uncertainty visualization. These include reconciling and clearly communicating the unique uncertainties associated with ensembles and their surrogate model estimates, and leveraging these approximations to inform actionable decisions. This work explores these challenges in the context of high-dimensional data visualization, bridging discrete datasets with their continuous representations and addressing the complexities of systems that support iterative navigation between input and output spaces. We evaluate the role of uncertainty visualization in fostering intuitive, actionable interactions and identify critical hurdles in advancing this frontier of computational simulation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Reevaluating Contour Visualizations for Power Systems Data

Effective visual analytics tools are needed now more than ever as emerging energy systems data and models are rapidly growing in scale and complexity. Here we examined the suitability of colored contour maps to visually represent bus values in two different power system models: a dense 24k-bus distribution system and a 240-bus transmission system. In a quantitative analysis, we found that contour maps misrepresent power systems data, changing the statistical dispersion of the bus values, including the loss of extreme values. In a controlled empirical study with thirty professional power system research engineers, we found that these distortions significantly impact excursion identification tasks. Additionally, the engineers were less confident in their assessments using contour-based visualizations than glyph-based visualizations.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2016

Analysis and Visualization of Discrete Fracture Networks Using a Flow Topology Graph

We present an analysis and visualization prototype using the concept of a flow topology graph (FTG) for characterization of flow in constrained networks, with a focus on discrete fracture networks (DFN), developed collaboratively by geoscientists and visualization scientists. Our method allows users to understand and evaluate flow and transport in DFN simulations by computing statistical distributions, segment paths of interest, and cluster particles based on their paths. The new approach enables domain scientists to evaluate the accuracy of the simulations, visualize features of interest, and compare multiple realizations over a specific domain of interest. Geoscientists can simulate complex transport phenomena modeling large sites for networks consisting of several thousand fractures without compromising the geometry of the network. However, few tools exist for performing higher-level analysis and visualization of simulated DFN data. The prototype system we present addresses this need. Here, we demonstrate its effectiveness for increasingly complex examples of DFNs, covering two distinct use cases - hydrocarbon extraction from unconventional resources and transport of dissolved contaminant from a spent nuclear fuel repository.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

MAGIC: M arching Cubes Isosurface Uncertainty Visualization for G auss i an Uncertain Data With Spatial C orrelation

Here, in this paper, we study the propagation of data uncertainty through the marching cubes algorithm for isosurface visualization for correlated uncertain data. Consideration of correlation has been shown paramount for avoiding errors in uncertainty quantification and visualization in multiple prior studies. Although the problem of isosurface uncertainty with spatial data correlation has been previously addressed, there are two major limitations to prior treatments. First, there are no analytical formulations for uncertainty quantification of isosurfaces when the data uncertainty is characterized by a Gaussian distribution with spatial correlation. Second, as a consequence of the lack of analytical formulations,existing techniques resort to a Monte Carlo sampling approach, which is expensive and difficult to integrate into visualization tools. To address these limitations, we present a closed-form framework to efficiently derive uncertainty in marching cubes level-sets for Gaussian uncertain data with spatial correlation (MAGIC). To derive closed-form solutions, we leverage the Hinkley's derivation on the ratio of Gaussian distributions. With our analytical framework, we achieve a significant speed-up and enhanced accuracy of uncertainty quantification over classical Monte Carlo methods. We further accelerate our analytical solutions using many-core processors to achieve speed-ups up to 585× and integrability with production visualization tools for broader impact. We demonstrate the effectiveness of our correlation-aware uncertainty framework through experiments on meteorology, urban flow, and astrophysics simulation datasets.

Gaussian↗
DOE OSTI2014

MO-E-18C-06: Enriching Medical Physics Education By Visualizing The Invisible

Purpose: To enhance the understanding of medical physics concepts and develop higher levels of learning relating to invisible physics phenomena such as radiation. To provide medical physics educators in all countries of the world with understanding of knowledge structures in the human brain, the different levels of learning, and the types of knowledge required for higher level functions such as problem solving, creative innovations, and applied clinical applications. To provide medical physics educators with an open access resource (tool) that they can use in their teaching activities to enrich and elevate the level of learning for their students, residents, etc. with respect to the invisible realm of medical physics. Methods: An experienced clinical medical physicist and educator has created and provided with open access three complementary web-based resources to achieve the purposes described above. One is a module focusing on the medical physics learning process with respect to mental knowledge structures, how they relate to outcomes and applications, and learning activities that are required to develop the required knowledge structures. The second is an extensive set of visuals that educators can use in their activities (classes, small group discussions, etc.) to visualize the invisible. The third is an interactive online simulation where learners can adjust factors and visually observe changes in x-radiation.These resources are available online at www.BLINDED FOR REVIEW . Results: Medical physics education, especially for non-physicists, is becoming much more interesting and useful especially with respect to invisible radiation. The global impact is that medical imaging professionals can be more effective in optimizing x-ray imaging procedures and risk management when they have knowledge levels that enhance problem solving, innovation, and creativity. Conclusion: Medical physics educators in all institutions can be much more effective and efficient in the sharing of their knowledge and experience when enhanced with high-quality visuals.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2014

7 Key Challenges for Visualization in Cyber Network Defense

In this paper we present seven challenges, informed by two user studies, to be considered when developing a visualization for cyber security purposes. Cyber security visualizations must go beyond isolated solutions and “pretty picture” visualizations in order to make impact to users. We provide an example prototype that addresses the challenges with a description of how they are met. Our aim is to assist in increasing utility and adoption rates for visualization capabilities in cyber security.

Cyber security, visualization, network defense↗
DOE OSTI2016

Hierarchical Spatio-temporal Visual Analysis of Cluster Evolution in Electrocorticography Data

Here, we present ECoG ClusterFlow, a novel interactive visual analysis tool for the exploration of high-resolution Electrocorticography (ECoG) data. Our system detects and visualizes dynamic high-level structures, such as communities, using the time-varying spatial connectivity network derived from the high-resolution ECoG data. ECoG ClusterFlow provides a multi-scale visualization of the spatio-temporal patterns underlying the time-varying communities using two views: 1) an overview summarizing the evolution of clusters over time and 2) a hierarchical glyph-based technique that uses data aggregation and small multiples techniques to visualize the propagation of clusters in their spatial domain. ECoG ClusterFlow makes it possible 1) to compare the spatio-temporal evolution patterns across various time intervals, 2) to compare the temporal information at varying levels of granularity, and 3) to investigate the evolution of spatial patterns without occluding the spatial context information. Lastly, we present case studies done in collaboration with neuroscientists on our team for both simulated and real epileptic seizure data aimed at evaluating the effectiveness of our approach.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Uncertainty Visualization for Renewable Energy Potential

In this paper, we present the reV (Renewable Energy Potential) Dashboard, an interactive browser-based tool for uncertainty visualization and data exploration built using customized plotly dash components. With continuing development and utilization of computational models to study the power sector there is an increasing need for data-driven visualization tools which allow scientists, researchers, and engineers to interact with their data in real-time. Our principle motivation for developing this interactive uncertainty visualization was to provide domain scientists and modelers a platform which allows them to better understand and communicate scientific findings stemming from intricate information encoded in their data that is otherwise difficult to capture by conventional analysis. The development of customized dashboard components using the React programming paradigm, combined with fully pre-processed data, allows for users to select a variety of data options to update and manipulate the visualization in a straightforward computationally efficient manner.

dashboard↗
DOE OSTI2024

The ECP ALPINE project: In situ and post hoc visualization infrastructure and analysis capabilities for exascale

A significant challenge on an exascale computer is the speed at which we compute results exceeds by many orders of magnitude the speed at which we save these results. Therefore the Exascale Computing Project (ECP) ALPINE project focuses on providing exascale-ready visualization solutions including in situ processing. In situ visualization and analysis runs as the simulation is run, on simulations results are they are generated avoiding the need to save entire simulations to storage for later analysis. The ALPINE project made post hoc visualization tools, ParaView and VisIt, exascale ready and developed in situ algorithms and infrastructures. The suite of ALPINE algorithms developed under ECP includes novel approaches to enable automated data analysis and visualization to focus on the most important aspects of the simulation. Many of the algorithms also provide data reduction benefits to meet the I/O challenges at exascale. ALPINE developed a new lightweight in situ infrastructure, Ascent.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Chromatic information and feature detection in fast visual analysis

The visual system is able to recognize a scene based on a sketch made of very simple features. This ability is likely crucial for survival, when fast image recognition is necessary, and it is believed that a primal sketch is extracted very early in the visual processing. Such highly simplified representations can be sufficient for accurate object discrimination, but an open question is the role played by color in this process. Rich color information is available in natural scenes, yet artist's sketches are usually monochromatic; and, black-andwhite movies provide compelling representations of real world scenes. Also, the contrast sensitivity of color is low at fine spatial scales. We approach the question from the perspective of optimal information processing by a system endowed with limited computational resources. We show that when such limitations are taken into account, the intrinsic statistical properties of natural scenes imply that the most effective strategy is to ignore fine-scale color features and devote most of the bandwidth to gray-scale information. We find confirmation of these information-based predictions from psychophysics measurements of fast-viewing discrimination of natural scenes. As a result, we conclude that the lack of colored features in our visual representation, and our overall low sensitivity to high-frequency color components, are a consequence of an adaptation process, optimizing the size and power consumption of our brain for the visual world we live in.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Large-Scale Visualization of 3D Unstructured Groundwater Model Using Cave Automated Virtual Environment

The immersive three-dimensional (3D) virtual reality (VR) visualization of groundwater models allows us to deepen our understanding of aquifer systems and provide better solutions to present groundwater-related problems, such as groundwater recharge, water quality, and sustainability. Visualization assists in accurately developing groundwater models and revealing important subsurface features, including faulting, folding, and unconformity. However, assessing model accuracy poses challenges due to the complexity of geology and groundwater systems. This research demonstrates a workflow to visualize and analyze raw 3D unstructured groundwater model data using an immersive Cave Automated Virtual Environment (CAVE). To visualize the unstructured groundwater model data, the raw dataset is converted into interactive CAVE-compatible formats utilizing a set of tools: ParaView, Blender, and Unity. This enables researchers to immerse themselves in the data, identifying influential patterns and relationships. e resulting insights can inform the development of sophisticated machine-learning models for groundwater level prediction. The CAVE’s immersive capabilities allow intuitive exploration from various perspectives, providing a more holistic understanding of the factors affecting groundwater levels. These insights are crucial to improve predictive models. The CAVE results also facilitate collaborative analysis and have potential applications in training and education. is research demonstrates the value of immersive VR tools such as the CAVE for unraveling intricacies within high-dimensional scientific data to drive real-world forecasting and modeling applications.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

ESTEEM: A Novel Framework for Qualitatively Evaluating and Visualizing Spatiotemporal Embeddings in Social Media

Analyzing and visualizing large amounts of social media communications and contrasting short-term conversation changes over time and geo-locations is extremely important for commercial and government applications. Earlier approaches for large-scale text stream summarization used dynamic topic models and trending words. Instead, we rely on text embeddings – low-dimensional word representations in a continuous vector space where similar words are embedded nearby each other. This paper presents ESTEEM,1 a novel tool for visualizing and evaluating spatiotemporal embeddings learned from streaming social media texts. Our tool allows users to monitor and analyze query words and their closest neighbors with an interactive interface. We used state-of- the-art techniques to learn embeddings and developed a visualization to represent dynamically changing relations between words in social media over time and other dimensions. This is the first interactive visualization of streaming text representations learned from social media texts that also allows users to contrast differences across multiple dimensions of the data.

social media dynamics↗
DOE OSTI2015

Institute for Ultralscale Visualization (Final Report)

The SciDAC Institute for Ultrascale Visualization brought together leading experts from visualization, high-performance computing, and science application areas to make advanced visualization solutions for SciDAC scientists and the broader community. Over the five-year project, the Institute introduced many new enabling visualization techniques, which have significantly enhanced scientists’ ability to validate their simulations, interpret their data, and communicate with others about their work and findings. This Institute project involved a large number of junior and student researchers, who received the opportunities to work on some of the most challenging science applications and gain access to the most powerful high-performance computing facilities in the world. They were readily trained and prepared for facing the greater challenges presented by extreme-scale computing. The Institute’s outreach efforts, through publications, workshops and tutorials, successfully disseminated the new knowledge and technologies to the SciDAC and the broader scientific communities. The scientific findings and experience of the Institute team helped plan the SciDAC3 program.

97 MATHEMATICS AND COMPUTING↗