Sandia Analysis Workbench – Integration Framework
The Workbench Integration Framework is an application platform designed to facilitate the creation of desktop software for engineering analysis.
Hoffman, EdwardsL↗
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Fully Homomorphic Encryption
This code implements a Fully Homomorphic Encryption (FHE) system, enabling secure computation on encrypted data without requiring decryption. It supports encryption, decryption, and homomorphic operations like matrix multiplication and addition. This code is adaptable for integrating FHE into linear-time invariant (LTI) systems, including digital control and filtering. With proper configuration from subject matter expertise, encrypted system parameters and signals can be manipulated to perform tasks like state updates, output calculations, and convolution in the encrypted domain. By preserving the structure of LTI systems while ensuring privacy, the framework facilitates secure applications in areas such as autonomous systems, signal processing, and industrial automation. The code initializes the encryption system using parameters provided in the env dictionary. These parameters include the ciphertext modulus, key dimension, plaintext fixed-point scaling factor, and noise bound. During initialization, a secret key is generated, which is essential for encrypting and decrypting data securely. The modular design allows users to tailor these parameters to specific use cases or security requirements. The code implements multiple cryptographic schemes. The learning with errors (LWE) encryption method encodes cleartext message to their plaintext fixed-point representation then encrypted into ciphertext space with additive noise. This noise ensures the security of the scheme, relying on the computational hardness of the LWE problem. The code also includes the Gentry-Sahai-Waters (GSW) scheme based off the LWE problem. Homomorphic matrix multiplication is performed between the LWE and GSW to encrypted data. This is achieved using a decomposition function on the LWE ciphertext during the multiplication operation. For higher-dimensional data, the code includes a method to encrypt entire matrices (GSWMat) using GSW encryption. These encrypted matrices can then be used for homomorphic matrix multiplications (MatMult). The decryption function uses the secret key to recover the original plaintext, removing the added noise and scaling that was originally applied during encryption.
Lois, Roberts [Idaho National Laboratory (INL), Id↗
The quantum entropy cone of hypergraphs
In this work, we generalize the graph-theoretic techniques used for the holographic entropy cone to study hypergraphs and their analogously-defined entropy cone. This allows us to develop a framework to efficiently compute entropies and prove inequalities satisfied by hypergraphs. In doing so, we discover a class of quantum entropy vectors which reach beyond those of holographic states and obey constraints intimately related to the ones obeyed by stabilizer states and linear ranks. We show that, at least up to 4 parties, the hypergraph cone is identical to the stabilizer entropy cone, thus demonstrating that the hypergraph framework is broadly applicable to the study of entanglement entropy. We conjecture that this equality continues to hold for higher party numbers and report on partial progress on this direction. To physically motivate this conjectured equivalence, we also propose a plausible method inspired by tensor networks to construct a quantum state from a given hypergraph such that their entropy vectors match.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
A Systematic Evaluation of Traditional and Non-Traditional Data Streams for Integrated Global Biosurveillance (Final Report)
Living in a closely connected and highly mobile world presents many new mechanisms for rapid disease spread and in recent years, global disease surveillance has become a high priority. In addition, much like the contribution of non-traditional medicine to curing diseases, non-traditional data streams are being considered of value in disease surveillance. Los Alamos National Laboratory (LANL) was tasked by the Defense Threat Reduction Agency (DTRA)-Joint Science and Technology Office (JSTO) to determine the relevance of data streams for an integrated global biosurveillance system through the use of defined metrics and methodologies. The long-term, broad objective of this project was to provide information and analysis that can be leveraged from existing and developing national and international disease surveillance systems and methodologies, to create a global disease monitoring system, ultimately providing decision makers with timely information to prepare for and mitigate the spread of disease. Specifically, this project evaluated data streams that are currently being used in surveillance systems and data streams that had the potential for being used in surveillance to enable early disease detection. LANL’s focus was on infectious disease surveillance and the term “biosurveillance” will be used to refer to this scope hereafter. Data stream evaluation was conducted using two different methods: Multi criteria decision analysis (MCDA) using a tool called Logical Decisions ® that assigns utility scores to data streams based on weighted metrics and assigned values specific to data stream categories; and a Surveillance Window concept developed at LANL that assigns a window or windows of time specific to a disease within which information coming from various data streams can be determined to have utility. A cross method analysis was performed between the surveillance window based evaluation and the MCDA-based evaluation to identify data stream categories that showed high utility for both methods. In addition, algorithms that can integrate useful data streams to facilitate early disease detection were also examined. This project provided an understanding of data streams relevant to early warning, early detection and monitoring of disease outbreaks. The report describes the results of LANL’s evaluation of 16 data stream categories using the two methods, and recommendations for next steps. The project evolved significantly over its course, and significant improvements in our approaches were made compared to the initial proposed processes. A key outcome of this effort was that LANL was able to bring together several diverse entities involved in disease surveillance and lay the foundation for new collaborations that straddled military and civilian health surveillance. The robust evaluation framework developed by LANL has generated significant interest and there is interest in adopting this framework for various applications both within disease surveillance as well as other public health initiatives. Finally, LANL developed the Biosurveillance Resource Directory (BRD), a relational database that underwent pilot testing by members of the human, plant and animal disease surveillance community. The BRD is intended to be a global resource to facilitate rapid information access.
60 APPLIED LIFE SCIENCES↗
Anderson Acceleration for Fixed-Point Iterations
The purpose of this grant was to support research on acceleration methods for fixed-point iterations, with applications to computational frameworks and simulation problems that are of interest to DOE.
43 PARTICLE ACCELERATORS↗
The GENIE Neutrino Monte Carlo Generator: Physics and User Manual
GENIE is a suite of products for the experimental neutrino physics community. This suite includes i) a modern software framework for implementing neutrino event generators, a state-of-the-art comprehensive physics model and tools to support neutrino interaction simulation for realistic experimental setups (the Generator product), ii) extensive archives of neutrino, charged-lepton and hadron scattering data and software to produce a comprehensive set of data/MC comparisons (the Comparisons product), and iii) a generator tuning framework and fitting applications (the Tuning product). This book provides the definite guide for the GENIE Generator: It presents the software architecture and a detailed description of its physics model and official tunes. In addition, it provides a rich set of data/MC comparisons that characterise the physics performance of GENIE. Detailed step-by-step instructions on how to install and configure the Generator, run its applications and analyze its outputs are also included.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
A New Remote Communications Link to Reduce Residential PV Solar Costs
Monitoring of PV/DER site production is expensive to install and unreliable. Among third party systems providers, lost communications links are a growing concern. Nearly 20% of links are failing, provisioning is complex, recovery is expensive, production data is lost, and access is fragmented. FleetLink is a new concept in DER system communications, purpose built for lowering the cost of maintaining active contact with residential end user sites and ensuring that production data is reliably available to third party systems providers. Systems providers require accurate, secure system monitoring and reporting of production data and system faults while driving down overall costs to compete effectively. This plug and play, independently operating communications solution lowers the cost of fleet contact from typically .08 dollars-$.12/W down to .02 dollars -.03/W including installation and maintenance expenses. FleetLink establishes a breakthrough in simplicity that facilitates rapid expansion of residential solar by reducing initial capital outlay and lowering installation labor time and skill levels. The solution also facilitates higher DER installation growth rates by driving down maintenance costs and eliminating communications trouble calls. This is accomplished by the FleetLink’s unique network technology that enables dynamic network configuration for fast changes, and active, self-healing DER site contact for uptime assurance. Using an open source network framework with proprietary, application specific enhancements, FleetLink independently manages connectivity, security, recovery, grid control communications, and fleet expansion while presenting a compliant SunSpec interface to the third party operations centers. The net system cost savings of at least .05 dollars/W supports the SunShot cost goals and the flexibility and scalability of the solution accelerates the velocity and ubiquitous adoption of solar.
14 SOLAR ENERGY↗
In Situ Indexing and Query Processing of AMR Data
We have developed the first, holistic, Adaptive Mesh Refinement (AMR) capable, in situ query framework to ensure the tractability of the current- and next-generation AMR simulation analysis on the path to extreme scale. We have addressed key issues pertaining to in situ analysis, memory hierarchy, generalized parallel indexing, index-compression, and real-time access pattern detection. We have published the following research papers in high profile peer reviewed computer science conferences: (a) Parallel In Situ Detection of Connected Components in Adaptive Mesh Refinement Data; (b) AMR-aware In Situ Indexing and Scalable Querying; (c) Pattern-driven dynamic data layout optimization; (d) In situ Storage Layout Optimization for AMR Spatio-temporal Read Accesses; (e) AMRZone: A Runtime AMR Data Sharing Framework for Scientific Applications; (f) Exploring Memory Hierarchy and Network Topology for Runtime AMR Data Sharing Across Scientific Applications.
96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
Multiphysics Coupling of PROTEUS-NODAL and SAM for Molten Salt Reactor Simulation
The purpose of this report is to document the new features and capabilities that have been implemented in the PROTEUS-NODAL code and the coupling procedure of PROTEUS-NODAL with SAM to analyze MSRs. This report is organized as follows. Section 2 presents the variational nodal P 1 solver for cylindrical geometries and its verification test results. Section 3 discusses the transient analysis capability implemented in the P 1 solvers of PROTEUS-NODAL. The solution methods for the coupled system of TFSP and precursor drift equations, the coarse mesh finite difference (CMFD) acceleration, the kinetics parameter evaluation method, and the thermal feedback are discussed. The verification test results against the SP 3 solutions are also discussed. Section 4 describes the coupling scheme of PROTEUS-NODAL and SAM under the MOOSE framework for MSR applications. The developed MOOSE applications named “TreeFrog” and “TreeKangaroo” are discussed. Verification test results for the coupled system are also discussed by comparing the MSFR steady state solution with that obtained from a manually coupled PROTEUS-NODAL and ANSYS CFX computational fluid dynamics (CFD) calculations and the MSFR transient analysis results with the open literature solutions and the PROTEUS-NODAL solutions obtained with the standalone thermal-hydraulics solver. Section 5 provides conclusions and future works.
21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
Identification of Hydrogen Material Risk Research Areas
This report presents a research framework for the application of quantitative risk assessment to hydrogen materials, based on the identification of potential areas of research, a literature review, and a plan for future work in the area of hydrogen materials risk. After outlining basics on hydrogen infrastructure, with a focus on pressure vessels, a number of materials risk topics are identified and discussed. Of these, four important areas of risk application to hydrogen materials are highlighted and discussed in further detail. The four topics are initial crack distribution in metals, damage and stress rupture in composites, and polymer behavior in high pressure hydrogen. These topics vary in scope, specificity, level of anticipated resources required, and potential impact to the field. Finally, recommendations are made for future research on the highest priority topics.
08 HYDROGEN↗
Performance Metrics to Evaluate Utility Resilience Investments
In 2019, Sandia National Laboratories (Sandia) contracted Synapse Energy Economics (Synapse) to research the integration of community and electric grid resilience investment planning as part of the Designing Resilient Communities (DRC): A Consequence-Based Approach for Grid Investment project. Synapse produced a series of reports to explore the challenges and opportunities in several key areas, including benefit-cost analysis (BCA), performance metrics, microgrids, and regulatory mechanisms. This report focuses on BCA. BCA is an approach that electric utilities, electric utility regulators, and communities can use to evaluate the costs and benefits of a wide range of grid resilience investments in a comprehensive and consistent way. While BCA is regularly applied to some types of grid investments, application of BCA to grid resilience investments is in the early stages of development. Though resilience is increasingly cited in connection with grid investment proposals and plans, the resilience- related costs and benefits of grid resilience investments are typically not fully identified, infrequently quantified, and almost never monetized. Without complete assessments of costs and benefits, regulators can be hesitant to approve some types of grid resilience investments. This report provides the first application of the framework developed in the 2020 National Standard Practice Manual for Benefit-Cost Analysis of Distributed Energy Resources (NSPM for DERs) to grid resilience investments. We provide guidance on next steps for implementation to enable grid resilience investments to receive due consideration. We suggest developing BCA principles and standards for jurisdiction-specific BCA tests. We also recommend identifying the resilience impacts of the investments and quantification of these impacts by establishing utility performance metrics for resilience. Proactive integration of grid resilience investments into existing regulatory processes and practices can increase the capacity of jurisdictions to respond to and recover from the consequences of extreme events. 1 National Energy Screening Project. 2020. National Standard Practice Manual for Benefit-Cost Analysis of Distributed Energy Resources.
24 POWER TRANSMISSION AND DISTRIBUTION↗
Component-to-Optimization Workflow Demonstration
This report aims to demonstrate workflow-generating algorithms for optimizing dispatch across a broad range of Integrated Energy System applications using the Framework for Optimization of Resources and Economics (FORCE) tool suite. The optimization is performed at two different time scales. In the coarse time scale, the optimization focuses on a class of energy sources and consumers and aims to find the optimal combinations and flows of energy based on real-time price data information. In the fine time scale, the optimization focuses on a specific thermal energy delivery system and aims to find the optimal setpoints of components in order to meet the energy demands from coarse-time-scale optimizations. In this demonstration, the coarse-scale optimization is implemented using the newly developed Dispatch Optimization Variable Engine (DOVE), while the fine-scale optimization used Optimization of Real-Time Capacity Allocation (ORCA).
29 ENERGY PLANNING, POLICY, AND ECONOMY↗
Randomized Federated Learning Methods for Nonsmooth, Nonconvex, and Hierarchical Optimization (Final Technical Report)
This final technical report summarizes the outcomes of a DOE-funded project on federated scientific machine learning (FL) under nonsmooth, nonconvex, and hierarchical optimization settings. The project develops new mathematical models, algorithms, and theoretical guarantees for decentralized stochastic, bilevel, and minimax optimization problems arising in DOE mission-relevant applications. A unified framework of randomized and zeroth-order federated optimization methods is introduced, providing provable convergence, communication efficiency, and sample-complexity guarantees. The report documents algorithmic design, theoretical analysis, and empirical validation of the proposed federated learning methods. The project also contributes to workforce development through graduate training and dissemination of results via publications and seminars.
97 MATHEMATICS AND COMPUTING↗
Data and Code for Understanding Generative AI Content with Embedding Models
This repository contains code for the experiments in the paper "Understanding Generative AI Content with Embedding Models". Constructing high-quality features is critical to any quantitative data analysis. While feature engineering was historically addressed by carefully hand-crafting data representations based on domain expertise, deep neural networks (DNNs) now offer a radically different approach. DNNs implicitly engineer features by transforming their input data into hidden feature vectors called embeddings. For embedding vectors produced by foundation models -- which are trained to be useful across many contexts -- we demonstrate that simple and well-studied dimensionality-reduction techniques such as Principal Component Analysis uncover inherent heterogeneity in input data concordant with human-understandable explanations. Of the many applications for this framework, we find empirical evidence that there is intrinsic separability between real samples and those generated by artificial intelligence (AI).
Vargas, Max [Pacific Northwest National Laboratory↗
Approximation Framework of Embodied Energy of Safety: Insights and Analysis
Transportation safety, as a critical component of an efficient and reliable transportation system, has been extensively studied with respect to societal economic impacts by transportation agencies and policy officials. However, the embodied energy impact of safety, other than induced congestion, is lacking in studies. This research proposes an energy equivalence of safety (EES) framework to provide a holistic view of the long-term energy and fuel consequences of motor vehicle crashes, incorporating both induced congestion and impacts from lost human productivity resulting from injury and fatal accidents and the energy content resulting from all consequences and activities from a crash. The method utilizes a ratio of gross domestic product (GDP) to national energy consumed in a framework that bridges the gap between safety and energy, leveraging extensive studies of the economic impact of motor vehicle crashes. The energy costs per fatal, injury, and property-damage-only (PDO) crashes in gasoline gallon equivalent (GGE) in 2017 were found to be 200,259, 4442, and 439, respectively, which are significantly greater than impacts from induced congestion alone. The results from the motor vehicle crash data show a decreasing trend of EES per crash type from 2010 and 2017, due primarily in part to a decreasing ratio of total energy consumed to GDP over those years. In addition to the temporal analysis, we conducted a spatial analysis addressing national-, state-, and local-level EES comparisons by using the proposed framework, illustrating its applicability.
99 GENERAL AND MISCELLANEOUS↗
Beyond the List: Bioagent-Agnostic Signatures Could Enable a More Flexible and Resilient Biodefense Posture Than an Approach Based on Priority Agent Lists Alone
As of 2021, the biothreat policy and research communities organize their efforts around lists of priority agents, which elides consideration of novel pathogens and biotoxins. For example, the Select Agents and Toxins list is composed of agents that historic biological warfare programs had weaponized or that have previously caused great harm during natural outbreaks. Similarly, lists of priority agents promulgated by the World Health Organization and the National Institute of Allergy and Infectious Diseases are composed of previously known pathogens and biotoxins. To fill this gap, we argue that the research/scientific and biodefense/biosecurity communities should categorize agents based on how they impact their hosts to augment current list-based paradigms. Specifically, we propose integrating the results of multi-omics studies to identify bioagent-agnostic signatures (BASs) of disease—namely, patterns of biomarkers that accurately and reproducibly predict the impacts of infection or intoxication without prior knowledge of the causative agent. Here, we highlight three pathways that investigators might exploit as sources of signals to construct BASs and their applicability to this framework. The research community will need to forge robust interdisciplinary teams to surmount substantial experimental, technical, and data analytic challenges that stand in the way of our long-term vision. However, if successful, our functionality-based BAS model could present a means to more effectively surveil for and treat known and novel agents alike.
59 BASIC BIOLOGICAL SCIENCES↗
COSMIC-RAY SMALL-SCALE ANISOTROPIES AND LOCAL TURBULENT MAGNETIC FIELDS
Cosmic-ray anisotropy has been observed in a wide energy range and at different angular scales by a variety of experiments over the past decade. However, no comprehensive or satisfactory explanation has been put forth to date. The arrival distribution of cosmic rays at Earth is the convolution of the distribution of their sources and of the effects of geometry and properties of the magnetic field through which particles propagate. It is generally believed that the anisotropy topology at the largest angular scale is adiabatically shaped by diffusion in the structured interstellar magnetic field. On the contrary, the medium- and small-scale angular structure could be an effect of nondiffusive propagation of cosmic rays in perturbed magnetic fields. In particular, a possible explanation for the observed small-scale anisotropy observed at the TeV energy scale may be the effect of particle propagation in turbulent magnetized plasmas. We perform numerical integration of test particle trajectories in low- β compressible magnetohydrodynamic turbulence to study how the cosmic rays’ arrival direction distribution is perturbed when they stream along the local turbulent magnetic field. We utilize Liouville’s theorem for obtaining the anisotropy at Earth and provide the theoretical framework for the application of the theorem in the specific case of cosmic-ray arrival distribution. In this work, we discuss the effects on the anisotropy arising from propagation in this inhomogeneous and turbulent interstellar magnetic field.
79 ASTRONOMY AND ASTROPHYSICS↗
AthenaK: A Performance-portable Version of the Athena++ Adaptive Mesh Refinement Framework
We describe AthenaK: a new implementation of the Athena++ block-based adaptive mesh refinement framework using the Kokkos programming model. Finite volume methods for Newtonian, special relativistic, and general relativistic (GR) hydrodynamics and magnetohydrodynamics (MHD), and GR-radiation hydrodynamics and MHD, as well as a module for evolving Lagrangian tracer or charged test particles (e.g., cosmic rays) are implemented using the framework. In two companion papers, we describe (1) a new solver for the Einstein equations based on the Z4c formalism, and (2) a GRMHD solver in dynamical spacetimes also implemented using the framework, enabling new applications in numerical relativity. By adopting Kokkos, the code can be run on virtually any hardware, including CPUs, GPUs from multiple vendors, and emerging Advanced RISC Machine processors. AthenaK shows excellent performance and weak scaling, achieving over 1 billion cell updates per second for hydrodynamics in three dimensions on a single NVIDIA Grace Hopper processor. It does this with a typical parallel efficiency of 80% on 65,536 AMD GPUs on the OLCF Frontier system. Such performance portability enables AthenaK to leverage modern exascale computing systems for challenging applications in astrophysical fluid dynamics, numerical relativity, and multimessenger astrophysics.
79 ASTRONOMY AND ASTROPHYSICS↗