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LigninGraphs: lignin structure determination with multiscale graph modeling

Lignin is an aromatic biopolymer found in ubiquitous sources of woody biomass. Designing and optimizing lignin valorization processes requires a fundamental understanding of lignin structures. Experimental characterization techniques, such as 2D-heteronuclear single quantum coherence (HSQC) nuclear magnetic resonance (NMR) spectra, could elucidate the global properties of the polymer molecules. Computer models could extend the resolution of experiments by representing structures at the molecular and atomistic scales. We introduce a graph-based multiscale modeling framework for lignin structure generation and visualization. The framework employs accelerated rejection-free polymerization and hierarchical Metropolis Monte Carlo optimization algorithms. We obtain structure libraries for various lignin feedstocks based on literature and new experimental NMR data for poplar wood, pinewood, and herbaceous lignin. The framework could guide researchers towards feasible lignin structures, efficient space exploration, and future kinetics modeling. Its software implementation in Python, LigninGraphs, is open-source and available on GitHub.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Air Traffic Management TestBed Traffic Viewer: Developer's Guide

The Air Traffic Management (ATM) TestBed is a Platform as a Service that is being developed by the National Aeronautics and Space Administration (NASA) to help design, configure, integrate, run, and monitor air traffic simulations. The platform is designed to provide cloud services including back-end, big-data analytics tools, on-demand computing resource management, data storage, and communication middleware. The ATM TestBed reduces the time to test concepts and technologies, supports interactions among various methods such as human-in-the-loop and automation-in-the-loop simulations, and enables collaborative simulations by sharing technologies and tools in the ATM community. The Traffic Viewer application provides a graphical user interface tool for visualizing real and simulated air traffic as well as airspace definition in two-dimensional space. This guide describes a high-level design and implementation of Traffic Viewer and provides information for a new developer or a user to add new capabilities by following the software design and leveraging existing capabilities.

Lai, Chok Fung↗

Link Analysis in the Mission Planning Lab

The legacy communications link analysis software currently used at Wallops Flight Facility involves processes that are different for command destruct, radar, and telemetry. There is a clear advantage to developing an easy-to-use tool that combines all the processes in one application. Link Analysis in the Mission Planning Lab (MPL) uses custom software and algorithms integrated with Analytical Graphics Inc. Satellite Toolkit (AGI STK). The MPL link analysis tool uses pre/post-mission data to conduct a dynamic link analysis between ground assets and the launch vehicle. Just as the legacy methods do, the MPL link analysis tool calculates signal strength and signal- to-noise according to the accepted processes for command destruct, radar, and telemetry assets. Graphs and other custom data are generated rapidly in formats for reports and presentations. STK is used for analysis as well as to depict plume angles and antenna gain patterns in 3D. The MPL has developed two interfaces with the STK software (see figure). The first interface is an HTML utility, which was developed in Visual Basic to enhance analysis for plume modeling and to offer a more user friendly, flexible tool. A graphical user interface (GUI) written in MATLAB (see figure upper right-hand corner) is also used to quickly depict link budget information for multiple ground assets. This new method yields a dramatic decrease in the time it takes to provide launch managers with the required link budgets to make critical pre-mission decisions. The software code used for these two custom utilities is a product of NASA's MPL.

McCarthy, Jessica A.↗

NEXTorch: A Design and Bayesian Optimization Toolkit for Chemical Sciences and Engineering

Automation and optimization of chemical systems require well-informed decisions on what experiments to run to reduce time, materials, and/or computations. Data-driven active learning algorithms have emerged as valuable tools to solve such tasks. Bayesian optimization, a sequential global optimization approach, is a popular active-learning framework. Past studies have demonstrated its efficiency in solving chemistry and engineering problems. Here we introduce NEXTorch, a library in Python/PyTorch, to facilitate laboratory or computational design using Bayesian optimization. NEXTorch offers fast predictive modeling, flexible optimization loops, visualization capabilities, easy interfacing with legacy software, and multiple types of parameters and data type conversions. It provides GPU acceleration, parallelization, and state-of-the-art Bayesian optimization algorithms and supports both automated an d human-in-the-loop optimization. The comprehensive online documentation introduces Bayesian optimization theory and several examples from catalyst synthesis, reaction condition optimization, parameter estimation, and reactor geometry optimization. NEXTorch is open-source and available on GitHub

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Build and Execute Environment

At exascale, the challenge becomes to develop applications that run at scale and use exascale platforms reliably, efficiently, and flexibly. Workflows become much more complex because they must seamlessly integrate simulation and data analytics. They must include down-sampling, post-processing, feature extraction, and visualization. Power and data transfer limitations require these analysis tasks to be run in-situ or in-transit. We expect successful workflows will comprise multiple linked simulations along with tens of analysis routines. Users will have limited development time at scale and, therefore, must have rich tools to develop, debug, test, and deploy applications. At this scale, successful workflows will compose linked computations from an assortment of reliable, well-defined computation elements, ones that can come and go as required, based on the needs of the workflow over time. We propose a novel framework that utilizes both virtual machines (VMs) and software containers to create a workflow system that establishes a uniform build and execution environment (BEE) beyond the capabilities of current systems. In this environment, applications will run reliably and repeatably across heterogeneous hardware and software. Containers, both commercial (Docker and Rocket) and open-source (LXC and LXD), define a runtime that isolates all software dependencies from the machine operating system. Workflows may contain multiple containers that run different operating systems, different software, and even different versions of the same software. We will run containers in open-source virtual machines (KVM) and emulators (QEMU) so that workflows run on any machine entirely in user-space. On this platform of containers and virtual machines, we will deliver workflow software that provides services, including repeatable execution, provenance, checkpointing, and future proofing. We will capture provenance about how containers were launched and how they interact to annotate workflows for repeatable and partial re-execution. We will coordinate the physical snapshots of virtual machines with parallel programming constructs, such as barriers, to automate checkpoint and restart. We will also integrate with HPC-specific container runtimes to gain access to accelerators and other specialized hardware to preserve native performance. Containers will link development to continuous integration. When application developers check code in, it will automatically be tested on a suite of different software and hardware architectures.

Guan, Qiang↗

Build and Execute Environment

At exascale, the challenge becomes to develop applications that run at scale and use exascale platforms reliably, efficiently, and flexibly. Workflows become much more complex because they must seamlessly integrate simulation and data analytics. They must include down-sampling, post-processing, feature extraction, and visualization. Power and data transfer limitations require these analysis tasks to be run in-situ or in-transit. We expect successful workflows will comprise multiple linked simulations along with tens of analysis routines. Users will have limited development time at scale and, therefore, must have rich tools to develop, debug, test, and deploy applications. At this scale, successful workflows will compose linked computations from an assortment of reliable, well-defined computation elements, ones that can come and go as required, based on the needs of the workflow over time. We propose a novel framework that utilizes both virtual machines (VMs) and software containers to create a workflow system that establishes a uniform build and execution environment (BEE) beyond the capabilities of current systems. In this environment, applications will run reliably and repeatably across heterogeneous hardware and software. Containers, both commercial (Docker and Rocket) and open-source (LXC and LXD), define a runtime that isolates all software dependencies from the machine operating system. Workflows may contain multiple containers that run different operating systems, different software, and even different versions of the same software. We will run containers in open-source virtual machines (KVM) and emulators (QEMU) so that workflows run on any machine entirely in user-space. On this platform of containers and virtual machines, we will deliver workflow software that provides services, including repeatable execution, provenance, checkpointing, and future proofing. We will capture provenance about how containers were launched and how they interact to annotate workflows for repeatable and partial re-execution. We will coordinate the physical snapshots of virtual machines with parallel programming constructs, such as barriers, to automate checkpoint and restart. We will also integrate with HPC-specific container runtimes to gain access to accelerators and other specialized hardware to preserve native performance. Containers will link development to continuous integration. When application developers check code in, it will automatically be tested on a suite of different software and hardware architectures.

Guan, Qiang↗

From Data to Models and Analytics: An Integrated Scientific Computing Platform to Accelerate Environmental Research SBIR Phase I (Final Technical Report)

Phase I research was conducted to investigate the technical feasibility of an integrated open source platform GeoLib to provide turnkey solutions for model-data integration for environmental systems science (ESS), using modern web technologies, advances in HPC and cloud computing and high-performance visualization. A key feature of our platform is that it minimizes and automates data movement between data storage and computing systems. Another critical feature of the design is that it enables users to perform high-fidelity post-processing by performing high-performance visualization server-side and in-situ on the compute cluster close to the data. The investigation, which was performed over a 12-month period ending April 2019, centered on developing prototype software to demonstrate the key enabling technologies required for this system. This included: (i) rapid access to data from multiple remote sources, via a unified data interface; (ii) software for scalable geospatial visualization of raster, vector, and point cloud data on the web; (iii) development of an easy-to-use API for creating simulation and modeling workflows; (iv) remote data visualization and processing on middle-tier servers; and (v) remote data processing on high-performance computing systems. A critical part of this work is that all of these capabilities be accessible to end users through standard desktop tools such as Project Jupyter, which is widely adopted for ESS simulation and modeling.

97 MATHEMATICS AND COMPUTING↗

Off-the-Shelf Real-Time Monitoring of Satellite Constellations in a Visual 3-D Environment

The MSAS Data Monitor is a generic software product that represents the next-generation in real-time data monitoring and analysis tools. It goes beyond conventional text-based displays by representing data in a unique graphical form, conveying system status through the shape, color, motion, and position of graphical objects floating in a three-dimensional cyberspace environment...This paper describes some of the details and benefits of the MSAS monitoring and analysis suite, with primary focus on the Data Monitor.

MSAS↗

Lunar Science Investigations and Exploration in Celestial Mapping System

Introduction: As NASA expands the mission portfolio on the lunar surface, there is a need for applications with a broad range of analytical and functional capabilities that can be simultaneously deployed onto multiple mobile and desktop platforms to perform in-situ operations and hence enabling extensive Lunar exploration. Celestial Mapping System (CMS) [1,2] is developed to address the need for tools for science investigations, mission planning, operations and support for planetary sciences. Built on top of NASA WorldWind libraries, CMS can be simultaneously deployed onto multiple platforms, has the flexibility to update to the latest imagery and terrain datasets as they are being acquired (in real time) before and/or during the exploration mission and has the potential to enable traverse path planning suited for rovers, EVA and surface mobility units. It can provide critical functionalities such as equipment planning and optimized placement on Lunar surface, line of sight analysis to inform the coverage area for various equipment, powerful measurement tools based on 3D terrain, 3D COLLADA models to represent rovers, humans and equipment, visualization of derived mapping products (e.g. resource maps), and a data engine for hosting new observations that are not available in other contemporary lunar data tools [1]. Visualization of PSRs: The current presentation focuses on the work performed by the authors, to consume a unique dataset of super-enhanced images of the permanently shadowed regions (PSRs) at the lunar poles which were produced by the Hyper-effective nOise Removal U-net Software (HORUS) tool [3]. This tool was developed in direct support of NASA's VIPER and Artemis programs to enhance the extremely low-light images of the interior of PSRs and provide the first-time ability to see within these regions at and discern surface features (i.e. boulders and craters) down to 3 meters in size. We focused on the region near Nobili crater near Lunar south pole, selected site for VIPER mission and stitched several images to create a high-resolution map within one of the PSR of Nobile crater. Line of Sight Analysis and Traverse Planning in PSRs: We have developed an in-built line of sight analysis (LOS) tool in CMS that analyzes the terrain profile and obstructions and provides the visibility of a given terrain for a remote observer. This tool was utilized to perform viewshed analysis to investigate the area inside the PSR, a remote observer such as a rover could see without actually crossing the region. Figure 1 shows the viewshed analysis on the PSR in Nobile region. The yellow pin shows the observer location outside the PSR. The yellow area shows the visible part of PSR. The obstructed area with no visibility for the observer is shown in red. Figure 1: (left) PSR image on top of a high-resolution mosaic of sunlit images of a crater, in Nobile region (right) Viewshed Analysis of the same PSR with observer location shown by yellow pin. This analysis was extended further to set different heights for various observers and then perform the viewshed analysis. Combining the different visibility profiles can help designing improved traverses within the crater. Future plans: Eventually, HORUS datasets will be integrated into CMS as a layer in selected lunar polar regions. Hazard Maps will then be created based on terrain analysis in those regions. This integration will enable multiple scientific and exploration applications, such as designing traverses within PSRs, analyzing potential landing and science mission targets, investigating the meter-scale geomorphology of PSRs, including craters, boulder, surface roughness, mass wasting features and other indications of the presence of water-ice and other volatiles. Acknowledgments: CMS developers team including Kaitlyn J. Dickinson, Tyler A. Lucarz, Tyler W. Choi from USRA, NASA WorldWind Advisory team including Mark Peterson and Guillermo Miguel Del Castillo, HORUS team member V.T. Bickel, Robinson, M., LRO MOON LROC 2 EDR V1.0, LRO-L-LROC-2-EDR-V1.0, NASA Planetary Data System (PDS), 2009. https://doi.org/10.17189/1520643 References: [1] https://celestial.arc.nasa.gov [2] Agrawal et. al. “Celestial Mapping System for Lunar Surface Mapping and Analytics”, Lunar Surface Innovation Consortium, 2021 [3] Bickel V. et al. (2021) Nat Commun 12, 5607

Lunar Mapping↗

Space Launch System Vibration Analysis Support

The ultimate goal for my efforts during this internship was to help prepare for the Space Launch System (SLS) integrated modal test (IMT) with Rodney Rocha. In 2018, the Structural Engineering Loads and Dynamics Team will have 10 days to perform the IMT on the SLS Integrated Launch Vehicle. After that 10 day period, we will have about two months to analyze the test data and determine whether the integrated vehicle modes/frequencies are adequate for launching the vehicle. Because of the time constraints, NASA must have newly developed post-test analysis methods proven well and with technical confidence before testing. NASA civil servants along with help from rotational interns are working with novel techniques developed and applied external to Johnson Space Center (JSC) to uncover issues in applying this technique to much larger scales than ever before. We intend to use modal decoupling methods to separate the entangled vibrations coming from the SLS and its support structure during the IMT. This new approach is still under development. The primary goal of my internship was to learn the basics of structural dynamics and physical vibrations. I was able to accomplish this by working on two experimental test set ups, the Simple Beam and TAURUS-T, and by doing some light analytical and post-processing work. Within the Simple Beam project, my role involves changing the data acquisition system, reconfiguration of the test set up, transducer calibration, data collection, data file recovery, and post-processing analysis. Within the TAURUS-T project, my duties included cataloging and removing the 30+ triaxial accelerometers, coordinating the removal of the structure from the current rolling cart to a sturdy billet for further testing, preparing the accelerometers for remounting, accurately calibrating, mounting, and mapping of all accelerometer channels, and some testing. Hammer and shaker tests will be performed to easily visualize mode shapes at low frequencies. Short analytical projects using MATLAB were also assigned to aid in research efforts. These included integration of acceleration data for comparison to measured displacement data. Laplace and Fourier transforms were also investigated to determine viability as a method of modal decoupling. In addition to these projects, I was also able contribute work that would benefit future interns and the division as a whole. I gave a short presentation and answered questions to aid in the recruitment of subsequent interns and co-ops for the division. I also assisted in revisions and additions to Intern/Co-Op Handbook to provide incoming employees with background information on the organization they are about to work for. I further developed tutorial on Pulse software, which was used for data acquisition for both experiments and will be helpful to interns and engineers that may be unfamiliar to the software. I gained a diverse range of experience throughout my internship. I was introduced to advanced dynamics and analytical techniques. This was through new experience with both hands on experimentation and analytical post processing methods. I was exposed to the benefits of interdepartmental collaboration and developed stronger skills in time management by coordinating two different tests at once. This internship provided an excellent opportunity to see how engineering theories applied to real life scenarios, and an introduction to how NASA/JSC solves technical problems.

Johnson, Katie↗

NASA ESTO Advanced Information Systems Technology (AIST)

"(Only Talk/No Publication) NASA’s Advanced Information Systems Technology (AIST) Program identifies, develops, and supports adoption of software and information systems, as well as novel computer science technologies expected to be needed by the Earth Science Division in the 5-10-year timeframe. This presentation gives an overview of the AIST Program. AIST’s previous thrusts have been New Observing Strategies (NOS) and Analytic Collaborative Frameworks (ACF). The current vision is to connect these two thrusts and integrate them into the larger concept of Earth System Digital Twins (ESDT). To implement this new vision, the AIST Program is focusing on technologies and innovative concepts with three main objectives: O1. Enable new observation measurements and new observing systems design and operations through intelligent, timely, dynamic, and coordinated distributed sensing; O2. Enable agile science investigations that fully utilize the large amount of diverse observations using advanced analytic tools, visualizations, and computing environments, and that interact seamlessly with relevant observing systems; O3. Enable the development of integrated Earth Science frameworks that mirror the Earth with state-of-the-art models (Earth system models and others), timely and relevant observations, and analytic tools. This thrust will provide technology for enabling near- and long-term science and policy decisions (“science decisions” including planning for the acquisition of new measurements; the development of new models or science analysis; the integration of Earth observations in novel ways; applications to inform choices, support decisions, and guide actions for societal benefit; etc.)."

Mathematical and Computer Sciences (General)↗

Legacy surface change analyses of the 1993 Rock Valley earthquake sequence for direct comparison to planned NA-22 underground conventional high-explosive experiments (Source Physics Experiment 3 (SPE3) - RV/DC Task 1.3 FY22 Final Report)

Recent work under two previous phases of the NNSA NA-22 Source Physics Experiment (SPE) have shown that underground chemical high-explosive experiments can produce detectable surface changes that differ in spatial extent and vertical magnitude depending on the geologic media at the site (Schultz-Fellenz et al., 2018; 2020; Crawford et al., 2021). Neither of these two prior phases of SPE identified natural earthquake-related surface effects in the same region that occurred at a similar depth as the explosive experiments for direct comparison. While earthquakes can also produce surface changes that are detectable using remote sensing data analyses, it is expected that the pattern and spatial extent of surface changes would vary between earthquakes and explosions. However, no direct-observed surface-change signature comparison between earthquakes and explosions has ever been performed. The SPE Phase 3 Rock Valley/Direct Comparison (RV/DC) program presents a unique opportunity to investigate and characterize co-occurrence of both earthquakes and explosions. In this project, we worked to address five tasks in a workflow, as follows: 1. Identify and obtain existing high-resolution legacy satellite and aerial imagery as close in time before and after the 1993 Rock Valley earthquake sequence to temporally constrain the analyses. 2. Transform these pre-earthquake and post-earthquake datasets into digital elevation models (DEMs) using geospatial analysis software packages (e.g., ArcGIS, Agisoft Metashape, and Google Earth Engine). 3. Perform DEM differencing analyses to assess and quantify earthquake-related changes from the 1993 sequence, and develop map products that visualize these analyses. 4. Use the analyses from (3) to: (a) assess spatial distribution and magnitude of surface changes due to the 1993 Rock Valley earthquake sequence, and (b) determine parameters of forthcoming, planned explosion-related surface change data collection from sensors mounted on unmanned aerial vehicles (UAVs) (e.g., spatial extent of collection, design and density of survey control, sensors to deploy, forward speed and line spacing of UAV flight lines, flight altitude). 5. Develop a summary report on the analyses, including how the analyses define parameters and identify focus areas for any future surface change analytical field campaigns related to the explosive experiment. Analyzing these legacy data and identifying whether they can detect any surface changes related to the earthquake sequence facilitates opportunities for direct signature comparison of surface change from explosions at one location, which has never previously been performed. Comparing the surface change signatures from a co-located and depth-equivalent earthquake and an explosion could help to advance remote sensing event discrimination techniques. This report summarizes the work completed toward this ambitious goal.

42 ENGINEERING↗

Grandmaster: Interactive text-based analytics of social media

People use social media resources like Twitter, Facebook, forums etc. to share and discuss various activities or topics. By aggregating topic trends across many individuals using these services, we seek to construct a richer profile of a person’s activities and interests as well as provide a broader context of those activities. This profile may then be used in a variety of ways to understand groups as a collection of interests and affinities and an individual’s participation in those groups. Our approach considers that much of these data will be unstructured, free-form text. By analyzing free-form text directly, we may be able to gain an implicit grouping of individuals with shared interests based on shared conversation, and not on explicit social software linking them. In this paper, we discuss a proof-of-concept application called Grandmaster built to pull short sections of text, a person’s comments or Twitter posts, together by analysis and visualization to allow a gestalt understanding of the full collection of all individuals: how groups are similar and how they differ, based on their text inputs.

97 MATHEMATICS AND COMPUTING↗

XCMS Online: A Web-Based Platform to Process Untargeted Metabolomic Data

Recently, interest in untargeted metabolomics has become prevalent in the general scientific community among an increasing number of investigators. The majority of these investigators, however, do not have the bioinformatic expertise that has been required to process metabolomic data by using command-line driven software programs. Here we introduce a novel platform to process untargeted metabolomic data that uses an intuitive graphical interface and does not require installation or technical expertise. This platform, called XCMS Online, is a web-based version of the widely used XCMS software that allows users to easily upload and process liquid chromatography/mass spectrometry data with only a few mouse clicks. XCMS Online provides a solution for the complete untargeted metabolomic workflow including feature detection, retention time correction, alignment, annotation, statistical analysis, and data visualization. Results can be browsed online in an interactive, customizable table showing statistics, chromatograms, and putative METLIN identities for each metabolite. Additionally, all results and images can be downloaded as zip files for offline analysis and publication. XCMS Online is available at https://xcmsonline.scripps.edu.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Full Lunar Surface Visualization and Simulation Platform

This project created a visualization and simulation software platform for the entire lunar surface. Given the polar Artemis landing targets, the challenging terrain, lighting, and associated integrated crew / vehicle risk assessment, a more integrated approach to mission safety certification, potentially impacting equipment design and crew activity is required. This integrated capability will enable Safety and Mission Assurance (SMA), Flight Operations (FOD), and EVA to effectively collaborate to reduce human lunar exploration operational risk utilizing the identical tools to perform mission planning, rehearsal simulations, and providing the Safety Review Panel with integrated risk analysis capability.

information fusion↗

Learning Global Proliferation Expertise Evolution Using AI-Driven Analytics and Public Information

Detecting and anticipating global proliferation expertise and capability evolution from unstructured, noisy, and incomplete public data streams is a highly desired, but extremely challenging task. Here, in this article, we present our pioneering data-driven approach to support the non-proliferation mission to detect and explain the evolution of proliferation expertise and capability development globally from terabytes of publicly available information (PAI), focusing on our knowledge extraction pipeline and descriptive analytics. We first discuss how we fuse nine open-source data streams, including multilingual data, to convert 4 TB of unstructured data to structured knowledge and encode dynamically evolving proliferation expertise representations—content and context graphs. For this, we rely on natural language processing (NLP) and deep learning (DL) models to perform information extraction, topic modeling, and distributed text representation (aka embedding) learning. We then present interactive, usable, and explainable descriptive analytics to refine domain knowledge and present it in a human-understandable form. Finally, we introduce future work avenues that will leverage our dynamic knowledge representations and descriptive analytics to enable predictive and prescriptive inferences to achieve real-time domain understanding and contextual reasoning about global proliferation expertise and capability evolution.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Computational Methods for HSCT-Inlet Controls/CFD Interdisciplinary Research

A program aimed at facilitating the use of computational fluid dynamics (CFD) simulations by the controls discipline is presented. The objective is to reduce the development time and cost for propulsion system controls by using CFD simulations to obtain high-fidelity system models for control design and as numerical test beds for control system testing and validation. An interdisciplinary team has been formed to develop analytical and computational tools in three discipline areas: controls, CFD, and computational technology. The controls effort has focused on specifying requirements for an interface between the controls specialist and CFD simulations and a new method for extracting linear, reduced-order control models from CFD simulations. Existing CFD codes are being modified to permit time accurate execution and provide realistic boundary conditions for controls studies. Parallel processing and distributed computing techniques, along with existing system integration software, are being used to reduce CFD execution times and to support the development of an integrated analysis/design system. This paper describes: the initial application for the technology being developed, the high speed civil transport (HSCT) inlet control problem; activities being pursued in each discipline area; and a prototype analysis/design system in place for interactive operation and visualization of a time-accurate HSCT-inlet simulation.

Cole, Gary L.↗

A New Default Colormap for ParaView

ParaView is one of the most prominent software tools for scientific visualization used by scientists around the world. Color is a primary conduit to visually map data to its representation and, thus, enable investigation and interpretation of the data. Colormap selection has a significant impact on the data revealed; its design and selection is a critical aspect of scientific data visualization. A common choice for a user is the program’s default colormap, so careful consideration of this default is consequential. Although the current default colormap in ParaView, a succession of hues from cool blue to warm red, has served the community well, research shows that more nuanced colormap configurations increase discriminability while maintaining other critical metrics. These findings inspire us to revisit and update the default colors in ParaView. Here, in this study, we present a new ParaView default colormap, the criteria and methods of development, and example visualizations and analytic metrics.

97 MATHEMATICS AND COMPUTING↗