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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Energy-momentum-conserving stochastic differential equations and algorithms for the nonlinear Landau-Fokker-Planck equation

Coulomb collision is a fundamental diffusion process in plasmas that can be described by the Landau-Fokker-Planck (LFP) equation or the stochastic differential equation (SDE). While energy and momentum are conserved exactly in the LFP equation, they are conserved only on average by the conventional corresponding SDEs, suggesting that the underlying stochastic process may not be well defined by such SDEs. Here, in this study, we derive new SDEs with exact energy-momentum conservation for the Coulomb collision by factorizing the collective effect of field particles into individual particles and enforcing Newton's third law. These SDEs, when interpreted in the Stratonovich sense, have a particularly simple form that represents pure diffusion between particles without drag. To demonstrate that the new SDEs correspond to the LFP equation, we develop numerical algorithms that converge to the SDEs and preserve discrete conservation laws. Simulation results are presented in a benchmark of various relaxation processes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Algorithmic optimization of quantum optical storage in solids

Quantum memory devices with high storage efficiency and bandwidth are essential elements for future quantum networks. Solid-state quantum memories can provide broadband storage, but they primarily suffer from low storage efficiency. We use passive optimization and algorithmic optimization techniques to demonstrate nearly a sixfold enhancement in quantum memory efficiency. In this regime, we demonstrate coherent and single-photon-level storage with a high signal-to-noise ratio. The optimization technique presented here can be applied to most solid-state quantum memories to significantly improve the storage efficiency without compromising the memory bandwidth. Published by the American Physical Society 2024

Lei, Yisheng↗
DOE OSTI2025

Lanczos algorithm for lattice QCD matrix elements

Recent work [M. L. Wagman, Lanczos, the transfer matrix, and the signal-to-noise problem, .] found that an analysis formalism based on the Lanczos algorithm allows energy levels to be extracted from Euclidean correlation functions with faster ground-state convergence than effective masses, convergent estimators for multiple states from a single correlator, and two-sided error bounds. After filtering out spurious eigenvalues and using outlier-robust estimators within a nested bootstrap framework, Lanczos estimators behave more like multistate fit results than effective masses—but without involving statistical fitting. We extend this formalism to the determination of matrix elements from three-point correlation functions and provide a physical picture of “spurious-state filtering” involving restriction to a Hermitian subspace. We demonstrate similar advantages for matrix elements as for spectroscopy through example applications to noiseless mock-data and (bare) forward matrix elements of the strange scalar current between both ground and excited states with the quantum numbers of the nucleon.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

From Data to Insights: A Covariate Analysis of the IARPA BRIAR Dataset for Multimodal Biometric Recognition Algorithms at Altitude and Range

This paper examines covariate effects on fused whole body biometrics performance in the IARPA BRIAR dataset, specifically focusing on UAV platforms, elevated positions, and distances up to 1000 meters. The dataset includes outdoor videos compared with indoor images and controlled gait recordings. Normalized raw fusion scores relate directly to predicted false accept rates (FAR), offering an intuitive means for interpreting model results. A linear model is developed to predict biometric algorithm scores, analyzing their performance to identify the most influential covariates on accuracy at altitude and range. Weather factors like temperature, wind speed, solar loading, and turbulence are also investigated in this analysis. The study found that resolution and camera distance best predicted accuracy and findings can guide future research and development efforts in long-range/elevated/UAV biometrics and support the creation of more reliable and robust systems for national security and other critical domains.

Bolme, David↗
DOE OSTI2025

Anomaly Detection in Electronic Health Records Across Hospital Networks: Integrating Machine Learning With Graph Algorithms

In a large hospital system, a network of hospitals relies on electronic health records (EHRs) to make informed decisions regarding their patients in various clinical domains. Consequently, the dependability of the health information technology (HIT) systems responsible for collecting EHR data is of utmost importance for patient safety. Recently, novel methods and tools aimed at identifying anomalies in EHR data to bolster the reliability of HIT systems have been introduced. However, these existing methods and tools primarily concentrate on individual hospitals, which limits our understanding of system-wide anomalous events and their potential impact on patient safety across multiple hospitals. In this article, we introduce a new approach to detecting anomalies in EHR data within a network of hospitals. This is achieved by combining advanced machine learning techniques with graph algorithms to create a tool capable of swiftly identifying and responding to deviations. Our proposed approach employs a combination of five machine learning models, harnessing the unique strengths of each model to provide a more robust detection system. The detected anomalies are then represented as graphs, allowing us to recognize patterns across the hospital network. This aids in identifying anomalies that span multiple medical facilities, potentially indicating broader system-level risks. Extensive real-world testing of our approach demonstrated its ability to offer actionable insights compared to existing methods. Additionally, its scalable design ensures seamless integration into existing HIT infrastructures.

Niu, Haoran [Oak Ridge National Laboratory (ORNL),↗
DOE OSTI2024

Benchmarking Optimizers for Qumode State Preparation with Variational Quantum Algorithms

Quantum state preparation involves preparing a target state from an initial system, a process integral to applications such as quantum machine learning and solving systems of linear equations. Recently, there has been a growing interest in qumodes due to advancements in the field and their potential applications. However there is a notable gap in the literature specifically addressing this area. This paper aims to bridge this gap by providing performance benchmarks of various optimizers used in state preparation with Variational Quantum Algorithms. We conducted extensive testing across multiple scenarios, including different target states, both ideal and sampling simulations, and varying numbers of basis gate layers. Our evaluations offer insights into the complexity of learning each type of target state and demonstrate that some optimizers perform better than others in this context. Notably, the Powell optimizer was found to be exceptionally robust against sampling errors, making it a preferred choice in scenarios prone to such inaccuracies. Additionally, the Simultaneous Perturbation Stochastic Approximation optimizer was distinguished for its efficiency and ability to handle increased parameter dimensionality effectively.

Kan, Shuwen [Fordham University]↗
DOE OSTI2025

A Game-Theoretic Quantum Algorithm for Solving Magic Squares

Variational quantum algorithms (VQAs) offer a promising near-term approach to finding optimal quantum strategies for playing non-local games. These games test quantum correlations beyond classical limits and enable entanglement verification. In this work, we present a variational framework for the Magic Square Game (MSG), a two-player non-local game with perfect quantum advantage. We construct a value Hamiltonian that encodes the game’s parity and consistency constraints, then optimize parameterize quantum circuits to minimize this cost. Our approach build on the stabilizer formalism, leverages commutation structure for circuit design, and is hardware-efficient. Compared to existing work, our contribution emphasizes algebraic structure an interpretability. We validate our method through numerical experiments and outline generalizations to larger games.

Chehade, Sarah [ORNL]↗
DOE OSTI2025

Quantum Approximate Optimization Algorithm on Different Qubit Systems

Solving optimization problems is critical across many research domains, but the high dimensionality of parameter spaces often poses significant challenges. The Quantum Approximate Optimization Algorithm (QAOA) has emerged as a promising approach for accelerating optimization in the Noisy Intermediate-Scale Quantum (NISQ) era by leveraging both classical and quantum computational resources. However, its performance can vary depending on the underlying quantum hardware architecture. In this work, we evaluate the performance of QAOA on different quantum hardware platforms, specifically, superconducting transmon qubits and trapped-ion qubits, targetting real-world optimization problems formulated as fully connected Quadratic Unconstrained Binary Optimization (QUBO) instances. We evaluate both the solution quality and time-to-solution using dense QUBO matrices. Furthermore, we show that large-scale problems, such as a 100-bit QUBO instance, can be effectively tackled by integrating quantum computing with high-performance computing (HPC) resources. This study provides practical insights into the strengths and limitations of different qubit technologies and advances the application of quantum computing in solving real-world optimization problems.

Kim, Seongmin [ORNL] (ORCID:0000000159063004)↗
DOE OSTI2024

Defining blood hematology reference values in female pig-tailed macaques ( Macaca nemestrina ) using the Isolation Forest algorithm

Background: Pig-tailed macaques (PTMs) are commonly used as preclinical models to assess antiretroviral drugs for HIV prevention research. Drug toxicities and disease pathologies are often preceded by changes in blood hematology. To better assess the safety profile of pharmaceuticals, we defined normal ranges of hematological values in PTMs using an Isolation Forest (iForest) algorithm. Methods: Eighteen female PTMs were evaluated. Blood was collected 1–24 times per animal for a total of 159 samples. Complete blood counts were performed, and iForest was used to analyze the hematology data to detect outliers. Results: Median, IQR, and ranges were calculated for 13 hematology parameters. From all samples, 22 outliers were detected. These outliers were excluded from the reference index. Conclusions: Using iForest, we defined a normal range for hematology parameters in female PTMs. This reference index can be a valuable tool for future studies evaluating drug toxicities in PTMs.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Iterative Stress Reconstruction Algorithm to Estimate Three-Dimensional Residual Stress Fields in Manufactured Components

Residual stress (RS) significantly impacts the mechanical performance of components. Measurement of RS often provides incomplete data in terms of components of stress and spatial density. Employing such fields in finite element simulations results in significant modification of the field to achieve equilibrium and compatibility among strains. To overcome this, an iterative stress reconstruction algorithm (ISRA) is developed to estimate 3D RS fields that satisfy equilibrium, are stress component-wise complete, and represent the characterized data sampled. An Al 7075-T651 plate and an additively manufactured (AM) A36 steel wall are considered for RS reconstruction using measurement data from the literature. A maximum variation of ~2.5 MPa in the Al plate, and ~10 MPa in the steel wall are observed between the reconstructed and measured stresses. Furthermore, unknown stress components emerge and reach significant magnitudes (upto ~2.3 MPa in the Al plate and ~45 MPa in the AM wall) during ISRA. Indeed, it is found that minor errors in measurement or data processing are eliminated through the physical requirements during ISRA. Employing a reconstructed RS field is hence not just more accurate given its compatibility, but it additionally corrects for minor errors in measurement. Furthermore, it is found that spatially dense measurement data result in convergence with fewer iterations. Finally, although ISRA yields a nonunique solution dependent on boundary conditions, measurement errors, fitting errors, and mesh density, it accommodates for uncertainties and inaccuracies in measurement, as opposed to failing to reach a physically realistic converged solution.

42 ENGINEERING↗
DOE OSTI2024

Remark on Algorithm 1012: Computing Projections with Large Datasets

In ACM TOMS Algorithm 1012, the DELAUNAYSPARSE software is given for performing Delaunay interpolation in medium to high dimensions. When extrapolating outside the convex hull of the training set, DELAUNAYSPARSE calls the nonnegative least squares solver DWNNLS to compute projections onto the convex hull. However, DWNNLS and many other available sum-of-squares optimization solvers were not intended for usage with many variable problems, which result from the large training sets that are typical in machine learning applications. Thus, a new PROJECT subroutine is given, based on the highly customizable quadratic program solver BQPD. This solution is shown to be as robust as DELAUNAYSPARSE for projection onto both synthetic and real-world datasets, where other available solvers frequently fail. Although it is intended as an update for DELAUNAYSPARSE, due to the difficulty and prevalence of the problem, this solution is likely to be of external interest as well.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Solovay-Kitaev Algorithm and Randomized Compilation Data Availability

This zipped folder contains simulation notebooks, simulated data, and experimental data from the QSCOUT trapped-ion device that were used in the publication "Solovay-Kitaev Algorithm and Randomized Compilation" (https://doi.org/10.1103/ll6m-dbl7). The raw data is in the form of measurement outcomes of simple tomographic quantum circuits that were executed on the QSCOUT device and simulated using JAQALPAQ. These data are used to create plots within the jupyter notebooks that were included in the publication.

Quantum benchmarking↗
DOE OSTI2024

Control Algorithms for Multi-Wavefront Sensor Adaptive Optics for Astronomical Exoplanet Imaging

This package consists of simulations of control algorithms being proposed for upcoming adaptive optics projects for exoplanet direct imaging, in which one wavefront affector (deformable mirror) is controlled by two wavefront sensors. Simulations include time-domain behavior under various assumed conditions, parameter optimization routines for the controllers, and stability analysis.

Sengupta, Aditya↗
DOE OSTI2025

Phlex: Parallel, Hierarchical, and Layered EXecution of data-processing algorithms

Phlex is a computing framework supporting the parallel, hierarchical, and layered execution of data-processing algorithms. It is based on the functional-programming paradigm, thus guaranteeing thread-safety when invoking user-defined pure functions. Phlex allows users to specify arbitrary graph-based hierarchies of data organization, enabling more flexible processing of data as required by the constraints of the program.

Knoepfel, KyleJ. [Fermi National Accelerator Labor↗
DOE OSTI2025

DCVD Image Analysis Algorithm

The purpose of the software algorithm is to assist in the sustainability and improvement of the Cerenkov viewing devices, especially the DCVD, used by Euratom and the IAEA safeguards inspectors to verify the presence and completeness of spent nuclear fuel.

McGinnis, Brent [Pacific Northwest National Labora↗
DOE OSTI2025

Regional Source-Type Discrimination Using Nonlinear Alignment Algorithms

The discrimination problem in seismology aims to accurately classify different underground source types based on local, regional, and/or teleseismic observations of ground motion. Typical discriminant approaches are rooted in fundamental, physics-based differences in radiation pattern or wave excitation, which can be frequency-dependent and may not make use of the full waveform. In this article, we explore whether phase and amplitude distances derived from dynamic time warping (DTW) and elastic shape analysis (ESA) can inform event discrimination. We demonstrate the ability to distinguish underground point sources using synthetic waveforms calculated for a 1D Earth model and various source mechanisms. We then apply the method to recorded data from events in the Korean Peninsula, which includes declared nuclear explosions, a collapse event, and naturally occurring earthquakes. Phase and amplitude distances derived from DTW and ESA are then used to classify the event types via dendrogram and k-nearest-neighbor clustering analyses. Using information from the full waveform, we show how different underground sources can be distinguished at regional distances. We highlight the potential of these nonlinear alignment algorithms for discrimination and comment on ways we can extend the framework presented here.

58 GEOSCIENCES↗
DOE OSTI2024

Decomposition and Algorithmic Approaches for Solving Large-Scale Process Family Design Problems

Our most recent work expands the water desalination case study from 76 variants to 10,897 variants using the equation-oriented model built in Pyomo as part of the PARETO project. Using the discretization formulation presented in Stinchfield (2024a), rather than solving for all 10,897 variants simultaneously, we decompose the formulation into subproblems containing subsets of variants from the process family. We solve the overall problem with Progressive Hedging (PH) deployed in parallel on a distributed HPC cluster using the open-source Python package mpi-sppy (Knueven et al., 2023). This approach allowed us to solve this process family design problem to ~1.5% relative optimality gap in about 5 hours; in comparison, Gurobi reached ~50% relative optimality gap in about 6 hours (Stinchfield et al., 2024b). However, this approach still requires discretization of the common unit module design ranges; additionally, PH acts as a heuristic for MILP’s with gap-closing capabilities. Ideally, we would not have to use ML surrogates or discretization to solve this problem, instead solving the process family design problem with the equation-oriented model directly to achieve the most accurate results. However, recall that we did not consider solving the MINLP directly due to complexity and size. In this work, we aim to decompose and solve this large-scale MINLP using a Structured Nonlinear Global Optimization algorithm presented by Cao and Zavala (2019).

Stinchfield, Georgia↗