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DOE OSTI2024

TICC Clustering Library v.1.0

SAND2024-01234O TICC is a clustering algorithm that labels a sequence of data points according to numerical properties. This library is a Python implementation of the algorithm described in "Toeplitz Inverse Covariance-Based Clustering of Multivariate Time Series Data" (Hallac et al. 2017). It includes documentation, performance improvements, examples, and test coverage. This library allows users to automatically segment a series of multivariate data points according to their covariance—that is, the way the values at each data point are changing in relation to one another. This is useful for identifying periods in which a system is behaving. For example, if a sensor is measuring a car's velocity, steering wheel angle, braking and acceleration, TICC can determine when the car was stopped, beginning/exiting a turn, slowing or accelerating at an intersection, or driving on straight or curved roads. TICC can be applied to measure multiple quantities at known times. 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

Dalbey, Keith↗

DOE OSTI2024

HiFiPDV2 v. 2

SAND2024-01061O The HiFiPDV-2 software is similar to other photonic Doppler velocimetry (PDV) analysis codes in that it converts signals from intensity-time space to frequency-time space using a short-time Fourier transform (STFT). It then analyzes peaks of the resulting power spectral density information to extract the velocity-time history. The unique aspects of HiFiPDV and HiFiPDV-2 are that this reduction process is repeated for an array of reasonable STFT input variables. The resulting population distribution of output velocity-time histories is evaluated to determine the most likely velocity history and its associated uncertainty. This uncertainty is defined as the systematic uncertainty of the PDV signal as it is a function of input values to the reduction process. The HiFiPDV-2 program brings new functionality and efficiency to these calculations—most notably significant reductions in memory usage and calculation times, the ability to evaluate frequency-shifted signals, and the ability to filter out baseline signals. Developers recommend that users have at least 2 GB of RAM per CPU core in their system. 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.

Voorhees, Travis↗

DOE OSTI2023

VEESA R package

SAND2024-04584O R package for applying the VEESA pipeline method is a technique used for explainable machine learning with functional data. The VEESA pipeline makes use of the elastic-shape analysis framework for functional data. It also implements functional principal component analysis and permutation feature importance. 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↗

DOE OSTI2023

Qthreads Support for MPICH

SAND2024-00944O Qthread Support for MPICH is software that provides additions needed to enable the use of the Qthreads library. The high-performance message passing interface (MPICH) is an open-source implementation of MPI mainly developed and distributed by Argonne National Laboratory. Qthreads is a lightweight, user-level threading library developed and distributed by Sandia National Laboratories. MPICH currently supports Posix threads, Windows threads, and Argobots. This software enables parallel programs built with the MPICH implementation of MPI to use Qthreads user-level threads rather than Posix system-level threads. The software uses existing infrastructure in MPICH to interface to the Qthreads library. The existing interfaces in MPICH allow for creating, destroying, and managing the execution of multiple threads within a process and this software translates these calls to the equivalent Qthreads library functions. 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.

Ciesko, Jan↗

DOE OSTI2024

pvcracks

SAND2024-00922O This software uses electroluminescence images to predict power loss due to cell cracks in photovoltaic modules. The software will incorporate trained variational autoencoder(s) to parameterize cell cracks detected in electroluminescence images of photovoltaic modules and relate cracks to electrical properties; reduced-order models of finite element simulations of electrical behavior of photovoltaic modules under thermomechanical stresses; reduced-order models of stress distributions; inside photovoltaic modules resulting from x-ray topography experiments; and image segmentation and splining methods to analyze x-ray topography measurements of cracked photovoltaic cells. 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.

Hartley, James↗

DOE OSTI2024

Constitutive Models via Automatic Differentiation v.1.0.0

SAND2024-00905O Constitutive Models via Automatic Differentiation (CMAD) provides a software framework for solving constitutive or material model calibration problems. It relies on JAX's automatic differentiation capabilities to compute the derivatives needed for both forward and adjoint sensitivity analyses. The software can be used to implement constitutive models and calibrate the parameters from experimental data. 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.

Seidl, Daniel↗

DOE OSTI2023

Scribe Network API v.1.0.0

SAND2023-07864O Scribe Network API is an add-on tool for Scribe3D software. Scribe Network API documents tabletop exercises in trainings and plays back simulated videos of the scenarios and responses. Users can apply the software to compiled projects, or to a simple visual studio project solution package. The software runs a web application that relays information between computers using Scribe3D through a web application, or web app. The web app involves a representational state transfer (REST) application programming interface that handles sending and receiving Scribe save files and an SQL server that stores the save files. This follow-on package allows users to facilitate a networked tabletop exercise. 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.

Noel, Todd↗

DOE OSTI2023

DataShare Recon Assistant Tool (DSRAT) v.1.0.x

SAND2023-06798O DataShare Recon Assistant Tool (DSRAT) software is used for capturing recon data and information in an emergency response situation on an Android device. Users can capture images, video, item description and spectra information in DSRAT and upload it to DataShare, which is a multi-server application that shares data in real-time to all nodes on the network. 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.

Gilbert, Christina↗

DOE OSTI2024

TwinMe4AD: WGAN-based Digital Twins for Anomaly Detection

SAND2024-08373O TwinMe4AD is a Python-based software tool designed for anomaly detection using digital twins that closely mimic real, wearable healthcare datasets. The tool is invaluable for scenarios where collecting data is either expensive or impractical, serving as a privacy-preserving solution. Sensitive information is protected by training deep learning models on synthetic data derived from real datasets. One of TwinMe4AD's key features is its anomaly detection capability, which is based on fourth-order moments of parameters. This versatile approach can be applied across a range of datasets, from univariate to multivariate, making it compatible with various types of data. It also generates synthetic twins using Wasserstein Generative Adversarial Networks (WGANs), allowing users to create a small cohort of a population similar to that of a village population. 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.

Poorey, Kunal↗

DOE OSTI2021

PMatch v.1.0

SAND2021-14236 O PMatch is a function matching plugin for Ghidra. PMatch uses hashing and p-code to create function databases and complete function matching on other binary files. 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.

Wright, Christopher↗

DOE OSTI2022

Repometer v.1.0

SAND2022-4256 O Online version control platforms offer insight into traffic and engagement with source code repositories, but only in limited ways and over short windows of time. Scientific software teams at Sandia National Laboratories and elsewhere want to collect and store engagement data to help tell their story and the impact their work has on the community. Repometer aims to supplement existing capabilities by collecting timely and insightful data from GitHub and GitLab repositories and passing it to a database for longer-term storage. 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.

Mundt, Miranda↗

DOE OSTI2022

sbovqaopt: Surrogate-based optimizer for variational quantum algorithms v.0.1.0

SAND2022-13232 O The sbovqaopt package provides a surrogate-based optimizer for variational quantum algorithms as introduced in the journal publication of the same title. 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.

SciDAC↗

DOE OSTI2024

IDB Loader

SAND2024-08428O The IDB Loader is a database designed to hold gamma spectra. IDB is a web-accessible database of reference gamma spectra for measuring uranium (U) and plutonium (Pu) isotopic composition. The database, developed by the International Atomic Energy Agency (IAEA), provides access to well-characterized groups of gamma spectra curated by international experts in gamma spectroscopy. It was created to promote sustainability and maintenance of software used to determine the isotopic abundances of U and Pu. The IDB Loader works by uploading one set of spectral data into an existing IDB. The Data Loader package includes documentation describing the IDB's table, the format of the spectral data, and a description of the loader program. The IDB is currently hosted by the IAEA at: https://nds.iaea.org/idb 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.

Schwartz, Steven↗

DOE OSTI2020

Python Robust Phase Estimation (PyRPE)

Robust Phase Estimation (RPE) is a quantum algorithm to determine the relative phases of eigenstates of a unitary operator. This code implements the classical portion of the RPE algorithm, useful both in simulation (e.g., Sandia's pyGSTi or IBM's Qiskit simulators) and on actual quantum hardware (e.g., IBM's Qiskit Quantum Experience). It additionally implements improvements in these dependent software packages, for both required core function of the RPE and improved usability. SAND2020-12547 M 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.

Russo, Antonio↗

DOE OSTI2020

PARAFAC_T1

This is a method of performing trilinear analysis on large data sets using a modification of the PARAFAC-ALS algorithm. It iteratively decomposes the data matrix into a core matrix and three loading matrices based on the Tucker1 model. The algorithm is particularly useful for data sets that are too large to upload into a computer?s main memory. While the performance advantage in utilizing our algorithm is dependent on the number of data elements and dimensions of the data array, we have seen a significant performance improvement over operating PARAFAC-ALS on the full data set. SAND2020-12649 M 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.

Van Benthem, Mark↗

DOE OSTI2020

IIA Incremental Interval Assignment

IIA is a solver for optimizing integer matrix problems Ax=b. It was developed to decide the number of mesh edges on model curves (intervals) for quad and hex meshing. Meshing schemes impose constraints ranging from the mild requirement (i.e. that any quad mesh must have an even number of edges on its boundary) to structured mapped patches where opposite sides of a rectangle must have exactly equal numbers of edges. 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. SAND2020-13618 M

MItchell, Scott↗

DOE OSTI2021

System Validation Platform Working Directories

A suite of software tools used to interface with power electronic equipment for laboratory testing and device certification. They are typically used as equipment drivers with using the System Validation Platform (SVP) graphical user interface (GUI). 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. SAND2021-1185 O

Johnson, JayT↗

DOE OSTI2023

Quasi-Newton Variational Bayes v.3.0

SAND2024-09052O Quasi-Newton Variational Bayes (QNVB) is a training algorithm that performs high-dimensional variational inference on machine learning models. It provides mechanisms to calibrate and control model uncertainty during training. The PyTorch implementation of projective integral updates for Gaussian mean-fields supports the manuscript, "Projective Integral Updates for High-Dimensional Variational Inference." 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.

Duersch, Jed↗