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NASA NTRS2022

SpaceVPX Interoperability Assessment

The existing VMEbus (VersaModular Eurocard bus) International Trade Association (VITA)-78 industry standard, also known as SpaceVPX, is an avionics board- and chassis-level standard derived from the OpenVPX standard as defined in VITA-65. While VITA-65 defines backplane and board-level profiles from COTS vendors to ensure interoperability of products used in developing systems and subsystems, the VITA-78 standard defines SpaceVPX to incorporate fault tolerance features that are required by many spaceflight systems. However, VITA-78 allows so much flexibility that interoperability between modules cannot be assured. This assessment provides guidelines on the use of, and extensions to, the VITA-78 standard to enable avionics interoperability for future NASA missions. The assessment team was comprised of subject matter experts (SMEs) from Goddard Space Flight Center (GSFC), the Jet Propulsion Laboratory (JPL), Johnson Space Center (JSC), and Langley Research Center (LaRC). The team included valuable external consulting support from a SME who was a key participant in the development of the VITA-78 standard. The team had extensive collaboration with the NASA Space Technology Mission Directorate (STMD) High Performance Spaceflight Computing (HPSC) project, specifically in the development of SpaceVPX interconnect findings, observations, and NESC recommendations. To provide an understanding of the breadth of implementations that SpaceVPX must accommodate, multiple NASA use cases were analyzed to assess the requirements for SpaceVPX implementations across a wide range of NASA missions (Appendix C). Applications included crewed missions, science missions, and orbital and surface robotic systems. Product surveys were conducted to assess the level of industry support for SpaceVPX, applications, and the variations in their implementations (Appendix D). In-depth analysis was conducted in the areas of: (a) power management and distribution, (b) form factors and daughtercards, (c) interconnect, and (d) fault tolerance. Leveraging the use cases, product surveys, and SMEs from multiple NASA Centers, these areas were analyzed to determine the range of implementations permitted by the VITA-78 standard and potential interoperability issues. Applicable findings and NESC recommendations were provided for each area. During this assessment, there were multiple opportunities to engage with other agencies to learn about their interest in SpaceVPX, their strategies for implementing SpaceVPX-based systems, and their internal development efforts. These engagements also generated findings and NESC recommendations. Based on this assessment analysis, NESC recommendations were made regarding the feature set and module profiles to support NASA SpaceVPX implementations. This feature set includes restrictions on features in VITA-78, and extensions to the standard. Key recommendations in this area include the use of 10 Gigabit Ethernet and Peripheral Component Interconnect Express (PCIe) as high bandwidth interconnect on the backplane, the retention of SpaceWire interconnect for control functions, and support for 3U (unit) and 6U, form factors for NASA systems. Restrictions were proposed on the usage of user-defined signals to promote interoperability, and specific power managements and distribution schemes for 3U systems. Beyond the technical implementation of SpaceVPX, recommendations were made on areas that warrant further investigation. Primary among these is the recommendation for NASA to collaborate with other space-going agencies and industry to incorporate recommendations into a future ‘dot spec’ of VITA-78. This would ensure wide adoption and availability of the modules that comply with the specification. The assessment includes appendices with candidate module profiles that can be considered as a starting point for this activity, and example systems based on the recommendations. Follow-on studies are recommended for architectures beyond SpaceVPX to address potential enhancements including condensed set of interconnect, software required to implement protocol layers on the interconnect (and other features), alternative power architectures, and system-level testability.

SpaceVPX↗

DOE OSTI2020

Should Sea-Ice Modeling Tools Designed for Climate Research Be Used for Short-Term Forecasting?

In theory, the same sea-ice models could be used for both research and operations, but in practice, differences in scientific and software requirements and computational and human resources complicate the matter. Although sea-ice modeling tools developed for climate studies and other research applications produce output of interest to operational forecast users, such as ice motion, convergence, and internal ice pressure, the relevant spatial and temporal scales may not be sufficiently resolved. For instance, sea-ice research codes are typically run with horizontal resolution of more than 3 km, while mariners need information on scales less than 300 m. Certain sea-ice processes and coupled feedbacks that are critical to simulating the Earth system may not be relevant on these scales; and therefore, the most important model upgrades for improving sea-ice predictions might be made in the atmosphere and ocean components of coupled models or in their coupling mechanisms, rather than in the sea-ice model itself. This paper discusses some of the challenges in applying sea-ice modeling tools developed for research purposes for operational forecasting on short time scales, and highlights promising new directions in sea-ice modeling.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Griffin: A MOOSE-based reactor physics application for multiphysics simulation of advanced nuclear reactors

Griffin is a Multiphysics Object-Oriented Simulation Environment (MOOSE) based reactor physics application for multiphysics simulations of advanced reactor designs jointly developed by Idaho National Laboratory and Argonne National Laboratory. This paper summarizes the motivation, significance, architecture, design, and features of Griffin. Griffin offers flexible and extensible features to address the challenges associated with advanced reactor designs. These features range from fundamental particle transport to specific reactor physics tasks. The features cover a wide range including on-the-fly and traditional two-step cross-section generation methods, steady-state and transient transport solvers suitable for both heterogeneous and homogeneous models, high-fidelity depletion where thousands of isotopes can be tracked and low-fidelity depletion characterized by burnup, etc. The most fundamental aspect that sets Griffin apart from other reactor analysis codes is that it is developed based on the MOOSE framework. A modular development approach is strongly enforced, with multiphysics being an essential element considered since the beginning of Griffin’s development. Griffin links various MOOSE physics modules and couples to other MOOSE-based applications and non-MOOSE-based applications for multiphyiscs simulations. Griffin includes three modules: ISOXML for preparing and managing multigroup cross sections, radiation transport for solving the neutron transport equation, and reactor analysis for user-oriented reactor physics analysis functionalities. Griffin uses various finite element methods for spatial discretization, multigroup approximation for energy discretization and discrete ordinates method, spherical harmonics expansion method, and diffusion approximation for streaming direction discretization to solve the neutron transport equation. Griffin’s flexibility is evidenced through Griffin’s various applications to fast reactor, high-temperature reactor, pebble bed reactor, molten salt reactor, and microreactor designs. Griffin development follows the software quality assurance procedure for MOOSE-based applications and with software requirements consistent with the ASME NQA-1 standard. Griffin has been adopted into the reactor analysis system for the U.S. NRC and is in use at U.S. companies, universities and national laboratories.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

hPIC2: A hardware-accelerated, hybrid particle-in-cell code for dynamic plasma-material interactions

The exascale era of high performance computing promises to bring the field of computational plasma physics ever closer to the goal of accurate multiscale modeling. Such computers will rely on hardware acceleration to offload work to dedicated components, notably general-purpose graphics processing units (GPUs). However, devices from different manufacturers require software to be written with different parallel programming models, greatly increasing the code maintenance burden of applications designed to perform on more than one such device. hPIC2 is a hybrid plasma simulation code developed with the Kokkos performance portability framework to target the architectures that will drive exascale computing for the foreseeable future. As a hybrid simulation code, hPIC2 investigates the simultaneous use of various plasma models on the same domain, at the same time. hPIC2 also optionally couples to RustBCA, which accurately models ion-material interactions using the binary collision approximation (BCA) method. In conclusion, hPIC2 therefore achieves scalable performance on a variety of computing architectures when simulating complex and diverse plasmas, particularly near plasma-material interfaces.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Tutorial: Machine-Learning-Based CREASE-2D Analysis of 2D SAXS Profiles to Characterize Anisotropic Nanostructures in Soft Materials

We present a tutorial to guide users on how to extend the Computational Reverse Engineering Analysis of Scattering Experiments-2D (CREASE-2D) framework to interpret their experimental two-dimensional small-angle scattering (SAS) data from soft materials (e.g., polymers, peptide amphiphiles, biomolecular fibrils). Unlike most traditional SAS analysis approaches, which typically rely on azimuthally averaged onedimensional (1D) profiles, CREASE-2D utilizes the complete 2D scattering profile to reveal information about anisotropy in the structure. In past applications, CREASE has provided insights into complex structural features, including the cross-sectional shapes of assembled nanostructures and dispersity in these features, which are difficult to discern with existing analytical models. While (1D- ) CREASE has been applied to SANS and SAXS data, this tutorial shares the steps for implementing CREASE-2D using an example of a dipeptide solution system, for which we have SAXS data. We present details for these steps involved in using CREASE-2D to interpret SAXS profiles: how to preprocess SAXS data, define relevant structural features, generate three-dimensional real-space structures for specific values of these features, train a machine learning (ML) surrogate model to predict scattering profiles for given structural features, and optimize these features using genetic algorithms (GA). Then, we use these steps to interpret complex 2DSAXS data collected from dipeptide solutions that, in microscopy images, exhibit nanoscale structures that could be elliptical tubes/ flat tapes/cylinders or a combination of these cross sections. Open-source codes, computational hardware, and software requirements, as well as the strengths and limitations of this protocol, are also presented. We expect researchers working with (soft) biomaterials, peptide amphiphiles, amphiphilic polymer solutions, polymer nanocomposites, and blends of particles/polymers will find this CREASE-2D method and this tutorial of use.

CREASE↗

DOE OSTI2021

The FRAM robotic telescope for atmospheric monitoring at the Pierre Auger Observatory

FRAM (F/Photometric Robotic Atmospheric Monitor) is a robotic telescope operated at the Pierre Auger Observatory in Argentina for the purposes of atmospheric monitoring using stellar photometry. As a passive system which does not produce any light that could interfere with the observations of the fluorescence telescopes of the observatory, it complements the active monitoring systems that use lasers. We discuss the applications of stellar photometry for atmospheric monitoring at optical observatories in general and the particular modes of operation employed by the Auger FRAM. We describe in detail the technical aspects of FRAM, the hardware and software requirements for a successful operation of a robotic telescope for such a purpose and their implementation within the FRAM system.

Optics↗

DOE OSTI2023

A hybrid 3D/2D field response calculation for liquid argon detectors with PCB based anode plane

Liquid Argon Time Projection Chamber (LArTPC) technology is commonly utilized in neutrino detector designs. It enables detailed reconstruction of neutrino events with high spatial precision and low energy threshold. Its field response (FR) model describes the time-dependent electric currents induced in the anode-plane electrodes when ionization electrons drift nearby. An accurate and precise FR is a crucial input to LArTPC detector simulations and charge reconstruction. Established LArTPC designs have been based on parallel wire planes. It allows accurate and computationally economic two-dimensional (2D) FR models utilizing the translational symmetry along the direction of the wires. Recently, novel LArTPC designs utilize electrodes formed on printed circuit board (PCB) in the shape of strips with through holes. The translational symmetry is no longer a good approximation near the electrodes and a new FR calculation that employs regions with three dimensions (3D) has been developed. Extending the 2D models to 3D would be computationally expensive. Fortuitously, the nature of strips with through holes allows for a computationally economic approach based on the finite-difference method (FDM). In this paper, we present a new software package pochoir that calculates LArTPC field response for these new strip-based anode designs. This package combines 3D calculations in the volume near the electrodes with 2D far-field solutions to achieve fast and precise field response computation. We apply the resulting FR to simulate and reconstruct samples of cosmic-ray muons and 39 Ar decays from a Vertical Drift (VD) detector prototype operated at CERN. We find the difference between real and simulated data within 5%. Current state-of-the-art LArTPC software requires a 2D FR which we provide by averaging over one dimension and estimate that variations lost in this average are smaller than 7%.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

DynPaC: Coarse-Grained, Dynamic, and Partially Reconfigurable Array for Streaming Applications

Coarse-grained reconfigurable arrays (CGRAs) provide higher flexibility than application-specific integrated circuits (ASICs) and higher efficiency than fine-grained reconfigurable devices such as Field Programmable Gate Arrays (FPGAs). However, CGRAs are generally designed to support offloading of a single kernel. While their design, based on communicating functional units, appears to naturally suit streaming applications composed of multiple cooperating kernels, current approaches only statically partition the resources across kernels. However, streaming applications often are data-dependent, leading to variable kernel execution times depending on the input data and impacting the throughput of the entire pipeline if resources are statically allocated. Therefore, in this paper, we discuss the design of DynPaC — a coarse-grained, dynamically, and partially reconfigurable array for data-dependent streaming applications. We discuss the required software and hardware components to manage partial dynamic reconfiguration. We demonstrate that by supporting partial dynamic reconfiguration, we can obtain an average speedup of 1.44X for a representative set of applications w.r.t. static partitioning, with a limited area overhead (6.4% of the entire chip).

Tan, Cheng↗

DOE OSTI2021

KSpaceNavigator (KSN)

Intuitive GUI for manipulating microscope stages, allowing to align crystallographic data with stages, allowing to align crystallographic data with stage coordinates and microscope images. Simulates kinematic diffraction patterns and Kikuchi line patterns. Simulated patterns can be displayed as overlay to actually measured data, allowing manual fingerprinting and angular alignment. Crystallographic data is fed to the program in form of CIF (crystallographic information file) files, which are available from many databases and cover virtually all crystal structure ever reported in any journal. Actual goniometer scales can be linearized by lookup tables, program can be used with any microscope goniometer, double tilt and tilt-rotation type. Software requirements: Win32 platform (XP); Compiler/Version: Borland C++ Builder 5; Type of files: Executable modules; Hardware requirement: PC

Duden, Thomas↗

DOE OSTI2023

Semi-Analytical Leakage Solutions for Aquifers (SALSA) v1

SALSA is a semi-analytical modeling tool that can provide assessments of pressure perturbations and brine leakage because of fluid injection and extraction activities in sedimentary basins. Sedimentary basins typically contain vertical sequences of near-horizontal aquifers separated by less-permeable aquitards. In the context of geologic carbon sequestration (GCS), while aquitards are relied upon to contain injected buoyant free-phase CO2 and limit inter-aquifer brine flow, the large number of leaky wells (e.g., unused/unsuccessful exploration wells, or improperly plugged water or oil/gas wells) that are present in sedimentary basins creates concerns for potential leakage and groundwater contamination. The mathematical theory and solution method included in SALSA is presented in our recent manuscript under review. SALSA is the first to account for the coupled leakage through aquitards and leaky wells, with geologic pressurization sources. SALSA based on semi-analytical solutions can be computationally very efficient for problems containing many injection and leaky wells in multilayered sedimentary systems, compared to any numerical simulation software requiring local mesh refinement around each well to obtain accurate results. Therefore, stakeholders (e.g., regulators, operators) for site screening, injection and post-injection pressure behavior and assessing leakage risks can use SALSA as a fast-predictive tool in GCS applications in multilayered aquifer systems.

Cihan, Abdullah↗

DOE OSTI2024

Large emissions of CO2 and CH4 due to active-layer warming in Arctic tundra: Supporting Data

Climate warming may accelerate decomposition of Arctic soil carbon, but few controlled experiments have manipulated the entire active layer. To determine surface-atmosphere fluxes of carbon dioxide and methane under anticipated end-of-century warming, we used heating rods to warm soil (by 3.8 °C) to the depth of permafrost in polygonal tundra over two growing seasons at the Barrow Environmental Observatory in Utqiaġvik (formerly Barrow), Alaska. This data product includes supporting data for the companion paper entitled "Large emissions of CO2 and CH4 due to active-layer warming in Arctic tundra", published in Nature Communications by Torn et al. This data package contains seven data files in csv format with corresponding data dictionaries and file-level metadata, describing vegetation biomass dry weight ("Utqiagvik_Vegetation_Biomass_2014.csv"), radiocarbon measurements of respired carbon dioxide ("Utqiagvik_Radiocarbon_2015_2016.csv"), surface-atmosphere fluxes of carbon dioxide and methane and associated soil temperature ("Utqiagvik_Fluxes_Temperature_2015_2016.csv"), and soil temperature measurements averaged every 15-min and 1-hr for 2015 and 2016 ("Utqiagvik_Temperature_15min_2015.csv", "Utqiagvik_Temperature_15min_2016.csv", "Utqiagvik_Temperature_1hr_2015.csv", "Utqiagvik_Temperature_1hr_2016.csv"). There are no specific software requirements to use these data. UIC Science Native Corporation facilitated our scientific research on the Barrow Environmental Observatory, which is Iñupiat land.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Data from: Lowland Tropical Forests Remain a Methane Sink Under Warming and Long-Term Hurricane Disturbance Recovery

The repository folder contains spreadsheets and script for soil greenhouse gas (GHG) fluxes, soil moisture, soil temperature, air temperature, and precipitation measurements collected from the Tropical Responses to Altered Climate Experiment (TRACE) at the Sabana Research Field Station, El Yunque National Forest (USDA Forest Service; 18°19′28.74″ N, 65°43′50.09″ W) — an open-air field warming experiment located in a lowland tropical forest in Puerto Rico within the Luquillo Experimental Forest (LEF) — six to seven years after Hurricanes Irma and Maria (2017). All spreadsheets for soil and air microclimate data, as well as soil greenhouse gas data, are included as csv files. Air temperature data are also included as Excel spreadsheets (.xlsx). The script is built in R Studio, which is the only software required to run data analysis. This dataset is associated with the manuscript “Larocca Conte G ; Zuvela L ; Cruz-Pérez R ; Barreto-Vélez T ; Becerra-Santillan N ; Campbell S ; Chu H ; Dam T ; Grullón-Penkova I ; Kleit M ; Ortiz-Iglesias D ; Rubio-Lebrón L ; Cavaleri M ; Reed S ; Sihi D ; Wood T ; O'Connell C., 2026. Lowland Tropical Forests Remain a Methane Sink Under Warming and Long-Term Hurricane Disturbance Recovery. Agricultural and Forest Meteorology. In review". The dataset was used to test the effect of warming on soil CH4 dynamics following long-term legacy effects of hurricane disturbance. The dataset includes: - An overall README file in word and pdf format describing methodology and spreadsheets’ structure. - Continuous measurements of soil temperature and moisture from January 2023 to July 2024 measured with Campbell CS655 probes (“TRACE_soil_temperature_and_moisture_2023_cleaned(in).csv” and “TRACE_soil_temperature_and_moisture_2024_cleaned. csv”). - Air temperature data measured with a HOBO MX23O1A data logger (“Hobo air temperature 2023 Sep 2024” and “Hobo air temperature 2023 Sep 2024” – “CSV FILES folders”). - Precipitation data from a nearby weather tower downloaded from González et al. (2025; “sabana_2020-2025.csv”). - Soil CH4 and CO2 effluxes measured intermittently in two summer campaigns (June – August 2023 and June – July 2024) with a LI-COR 8200-01S Portable Smart Chamber coupled with a LI-COR LI-7810 CH4/ CO2/H2O Trace Gas Analyzer (“23_24COMBO2.0.csv”). - R markdown script for data analysis (“Trace new_PLOTS.Rmd”).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Application of the Recharge Estimation Tool (RET) to Prepare Spatially and Temporally Variable Recharge Boundary Conditions for Hanford Site Composite Analysis Vadose Zone Models

This environmental calculation file (ECF) describes the development of a tool for translating recharge estimates into readable input for STOMP© (Subsurface Transport Over Multiple Phases) vadose zone models primarily supporting the vadose zone (VZ) facets of the updated Hanford Site Composite Analysis (CA) and the Hanford Site Cumulative Impact Evaluation (CIE). The recharge estimates are spatiotemporally variable and are produced by the Recharge Evolution Tool (RET) described in Hanford Site-wide Natural Recharge Boundary Condition for Groundwater Models (ECF-HANFORD-15-0019). Outputs from the RET are given in Esri’s™ feature class format with yearly estimates and associated metadata encapsulated in file geodatabase objects. For STOMP models, the translated output is a text file in the format of an input boundary condition card, consistent with STOMP software requirements. The text file contains assimilated spatiotemporal recharge estimates produced by the RET. The tool discussed in this document will be referred to as the “RET2STOMP” tool.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

Future Automotive Systems Technology Simulator (FASTSim) Validation Report - 2021

The National Renewable Energy Laboratory's Future Automotive Systems Technology Simulator (FASTSim) captures the most important factors influencing vehicle power demands and performs large-scale fuel efficiency calculations very quickly. These features make FASTSim well suited to evaluate a representative distribution of real-world fuel efficiency over a large quantity of in-use driving profiles, which have become increasingly available in recent years owing to incorporation of Global Positioning System data collection into various travel surveys and studies. In addition, by being open source, computationally lightweight, freely available, and free from expensive third-party software requirements, analyses conducted using FASTSim may be easily replicated and critiqued in an open forum. This is highly desirable for situations in which technical experts seek to reach consensus over questions about what vehicle development plans or public interest strategies could maximize fuel savings and minimize adverse environmental impacts with an evolving vehicle fleet. While FASTSim continues to be refined and improved on an ongoing basis, this report compiles available runs using versions of the tool from the past few years to provide illustrative comparisons of the model results against measured data.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2020

SAMPA Based Streaming Readout Data Acquisition Prototype

We have assembled a small-scale streaming data acquisition system based on the SAMPA front-end ASIC. The 32-channel SAMPA chip was designed for the high-luminosity upgrade of the ALICE Time Projection Chamber (TPC) detector at the CERN Large Hadron Collider. The goals of the prototype system are to determine if the SAMPA chip is appropriate for use in detector systems at Jefferson Lab, and to gain experience with the hardware and software required to deploy streaming data acquisition systems in nuclear physics experiments. The 800 channel system is composed of components used in the ALICE TPC data acquisition upgrade. Five front-end cards (FEC) support five SAMPA chips each. SAMPA data streams on an FEC are concentrated into two high-speed (4.48 Gb/s) serial data streams by a pair Gigabit Transceiver ASICs (GBTx). These ten streams (44.8 Gb/s) are transmitted from the FECs over fibers to a PCIe based readout unit. The FPGA engine on the readout unit compresses data for transmission to a server via 100 Gb ethernet. Components on the FECs are radiation tolerant. High data rates can be handled. The system is by design scalable and thus provides a functional prototype for high-rate streaming readout at Jefferson Lab and the future Electron Ion Collider. We have made fundamental measurements (noise, linearity, time resolution) on the SAMPA ASIC. We have also coupled the readout system to a small Gas Electron Multiplier (GEM) detector and have studied its response to cosmic rays. A beam test of the system is planned.

ABBOTT, David↗

DOE OSTI2024

Large-scale Hydrogen Storage Risk Assessment

This project investigated risks involved in deploying a large-scale hydrogen storage system at the Port of Seattle (hereafter, the Port) for its on-terminal and maritime applications in an urban industrial setting. Alongside, the project attempted to address some of the barriers to risk assessment such as need for an exact system design for a systematic investigation, direct access to surrounding communities to gauge their perceptions, and an integrated software required to undertake a full-fledged risk assessment. These barriers were overcome using illustrative reference station designs, engaging with community-facing agencies through Port support, and pooling national laboratory capabilities available for risk assessments. The project identified relevant public safety risk metrics, compared various hydrogen carriers, engaged with community-facing agencies, and explored potential gaps in existing safety codes and standards. The primary impacts of this project include the development of risk assessment guidance for ports and utilities, informing them of the trade-offs in the choice of hydrogen carriers, and the ability to increase public capacity for dialog and engagement. This paves the way toward decarbonization of the Port activities, bringing about awareness around jobs in the market for risk assessments, and the need to ramp up community engagement long before any hydrogen system deployment is undertaken.

08 HYDROGEN↗

DOE OSTI2025

OpenCSP Step-by-Step: Getting Started Guide for Windows (V.1.0)

This document provides a step-by-step tutorial on how to set up OpenCSP for both users and developers. It is meant to support novice users and does not require software engineering experience. It is a detailed extension of the OpenCSP getting started on-line documentation, found here: https://opencsp.readthedocs.io/en/main/contributing.html#getting-started. For an overview of OpenCSP overall, see the OpenCSP website: https://opencsp.sandia.gov. For details on OpenCSP components and algorithm, see the references.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

DeepDiagnostics: A Software Package for Streamlined Posterior Evaluation

Automated prediction techniques like simulation-based inference (SBI) are important tasks for science experiments that produce large amounts of complex, raw data. However, their development remains in its early stages because the uncertainties of these techniques lack sufficient trustworthiness and interpretability. Packages for SBI provide a growing set of diagnostics; however, the software requirements are substantial, as they are tied to the inference technology itself, and the APIs lack adaptability. We introduce the DeepDiagnostics package for diagnosing posteriors from analytic likelihood-based methods and SBI methods, such as neural posterior estimation. DeepDiagnostics produces a comprehensive set of high-quality visualizations and metrics in a highly accessible, easy-to-use, and flexible package. We address all of these goals by providing a command-line inference tool and a Python API that is controlled through a configuration file. The package includes common diagnostics, such as parity plots, corner (covariance) plots, simulation-based calibration (SBC) diagnostics (including posterior coverage and rank histograms), Lemos et al. s PQMass and TARP, Masserano et al. s WALDO, Linhart et al. s LC2ST, as well as credible region diagnostics developed by our group.

Voetberg, Maggie [Fermilab]↗