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DOE OSTI2025

SQuaD: Smart Quantum Detection for Photon Recognition and Dark Count Elimination

Quantum detectors of single photons are an essential component for quantum information processing across computing, communication and networking. Today's quantum detection system, which consists of single photon detectors, timing electronics, control and data processing software, is primarily used for counting the number of single photon detection events. However, it is largely incapable of extracting other rich physical characteristics of the detected photons, such as their wavelengths, polarization states, photon numbers, or temporal waveforms. This work, for the first time, demonstrates a smart quantum detection system, SQuaD, which integrates a field programmable gate array (FPGA) with a neural network model, and is designed to recognize the features of photons and to eliminate detector dark-count. The SQuaD is a fully integrated quantum system with high timing-resolution data acquisition, onboard multi-scale data analysis, intelligent feature recognition and extraction, and feedback-driven system control. Our \name experimentally demonstrates 1) reliable photon counting on par with the state-of-the art commercial systems; 2) high-throughput data processing for each individual detection events; 3) efficient dark count recognition and elimination; 4) up to 100% accurate feature recognition of photon wavelength and polarization. Additionally, we deploy the SQuaD to an atomic (erbium ion) photon emitter source to realize noise-free control and readout of a spin qubit in the telecom band, enabling critical advances in quantum networks and distributed quantum information processing.

Linne, Karl C. [U. Chicago (main)] (ORCID:00090009↗

DOE OSTI2023

Graph Metric Learning Quantifies Morphological Differences between Two Genotypes of Shoot Apical Meristem Cells in Arabidopsis

We present a method for learning “spectrally descriptive” edge weights for graphs. We generalize a previously known distance measure on graphs (Graph Diffusion Distance), thereby allowing it to be tuned to minimize an arbitrary loss function. Because all steps involved in calculating this modified GDD are differentiable, we demonstrate that it is possible for a small neural network model to learn edge weights which minimize loss. We apply this method to discriminate between graphs constructed from shoot apical meristem images of two genotypes of Arabidopsis thaliana specimens: wild-type and trm678 triple mutants with cell division phenotype. Training edge weights and kernel parameters with contrastive loss produces a learned distance metric with large margins between these graph categories. We demonstrate this by showing improved performance of a simple k-nearest-neighbors classifier on the learned distance matrix. We also demonstrate a further application of this method to biological image analysis. Once trained, we use our model to compute the distance between the biological graphs and a set of graphs output by a cell division simulator. Comparing simulated cell division graphs to biological ones allows us to identify simulation parameter regimes which characterize mutant vs. wild-type Arabidopsis cells. We find that trm678 mutant cells are characterized by increased randomness of division planes and decreased ability to avoid previous vertices between cell walls.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Response of U.S. West Coast Mountain Snowpack to Local Sea Surface Temperature Perturbations: Insights from Numerical Modeling and Machine Learning

Sea surface temperature (SST) significantly modulates the precipitation and temperature over land, with important consequences on land surface processes such as snowpack. Compared to the impact of remote SST, the effect of nearshore/local SST is less well understood. In this study, the impact of local SST on the mountain snowpack of the U.S. West Coast is investigated using two 6-km regional climate simulations driven by the same lateral boundary conditions but with time-varying versus time-invariant and warmer local SSTs during 2003–15. Results show that local SST warming leads to warmer winter with more precipitation over the mountains. Meanwhile, the removal of SST temporal variability results in reduced temperature variability but increased precipitation variability. As a result, winter snow accumulation decreases by ~200 mm per season in the Cascade Mountains in the north but increases by ~100 mm per season in the Sierra Nevada in the south. Such a dipole response results from the competing effects of precipitation and temperature change at different elevations and are amplified by the enhanced atmospheric river moisture transport. To further delineate the relative contributions of different meteorological factors to the snowpack response, two neural network models were developed to predict the snow behaviors at seasonal and monthly scales. These models reveal the dominant influence of the total amount and the average temperature of precipitation on the snowpack response. Furthermore, these findings highlight the sensitivity of mountain snowpack to local SST in the western United States and underscore the importance of local SST and atmospheric rives to accurate snowpack estimations for water management.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Application of Machine Learning to Multigroup Microscopic Cross Sections

Presentation discussing the research and development of deep neural network models for modeling microscopic neutron cross-section data in the Griffin reactor physics application for pebble-bed reactors. This work details advancements made between the last review meeting in July 2024 until July 2025.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2014

Maximization of permanent trapping of CO{sub 2} and co-contaminants in the highest-porosity formations of the Rock Springs Uplift (Southwest Wyoming): experimentation and multi-scale modeling

Under this project, a multidisciplinary team of researchers at the University of Wyoming combined state-of-the-art experimental studies, numerical pore- and reservoir-scale modeling, and high performance computing to investigate trapping mechanisms relevant to geologic storage of mixed scCO{sub 2} in deep saline aquifers. The research included investigations in three fundamental areas: (i) the experimental determination of two-phase flow relative permeability functions, relative permeability hysteresis, and residual trapping under reservoir conditions for mixed scCO{sub 2}-brine systems; (ii) improved understanding of permanent trapping mechanisms; (iii) scientifically correct, fine grid numerical simulations of CO{sub 2} storage in deep saline aquifers taking into account the underlying rock heterogeneity. The specific activities included: (1) Measurement of reservoir-conditions drainage and imbibition relative permeabilities, irreducible brine and residual mixed scCO{sub 2} saturations, and relative permeability scanning curves (hysteresis) in rock samples from RSU; (2) Characterization of wettability through measurements of contact angles and interfacial tensions under reservoir conditions; (3) Development of physically-based dynamic core-scale pore network model; (4) Development of new, improved high-performance modules for the UW-team simulator to provide new capabilities to the existing model to include hysteresis in the relative permeability functions, geomechanical deformation and an equilibrium calculation (Both pore- and core-scale models were rigorously validated against well-characterized core- flooding experiments); and (5) An analysis of long term permanent trapping of mixed scCO{sub 2} through high-resolution numerical experiments and analytical solutions. The analysis takes into account formation heterogeneity, capillary trapping, and relative permeability hysteresis.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Sparse-Data Deep Learning Strategies for Radiographic Non-Destructive Testing

Radiography is an imaging technique used in a variety of applications, such as medical diagnosis, airport security, and nondestructive testing. We present a deep learning system for extracting information from radiographic images. We perform various prediction tasks using our system, including material classification and regression on the dimensions of a given object that is being radiographed. Our system is designed to address the sparse-data issue for radiographic nondestructive testing applications. It uses a radiographic simulation tool for synthetic data augmentation, and it uses transfer learning with a pre-trained convolutional neural network model. Using this system, our preliminary results indicate that the object geometry regression task saw an improvement of 70% in the R-squared value when using a multi-regime model. In addition, we increase the performance of the object material classification tasks by utilizing data from different imaging systems. In particular, using neutron imaging improved the material classification accuracy by 20% when compared to x-ray imaging.

convolutional neural networks↗

DOE OSTI2019

Tau covariance patterns in Alzheimer's disease patients match intrinsic connectivity networks in the healthy brain

According to the network model of neurodegeneration, the spread of pathogenic proteins occurs selectively along connected brain regions. We tested in vivo whether the distribution of filamentous tau (measured with [ 18 F]flortaucipir-PET), fibrillar amyloid-β ([ 11 C]PIB-PET) and glucose hypometabolism ([ 18 F]FDG-PET) follows the intrinsic functional organization of the healthy brain. We included 63 patients with Alzheimer's disease (AD; 30 male, 63 ± 8 years) who underwent [ 18 F]flortaucipir, [ 11 C]PIB and [ 18 F]FDG PET, and 1000 young adults (427 male, 21 ± 3 years) who underwent task-free fMRI. We selected six predefined disease epicenters as seeds for whole-brain voxelwise covariance analyses to compare correlated patterns of tracer uptake across AD patients against fMRI intrinsic connectivity patterns in young adults. We found a striking convergence between [18F]flortaucipir covariance patterns and intrinsic connectivity maps (range Spearman rho's: 0.32-0.78, p < .001), which corresponded with expected functional networks (range goodness-of-fit: 3.8-8.2). The topography of amyloid-β covariance patterns was more diffuse and less network-specific, while glucose hypometabolic patterns were more spatially restricted than tau but overlapped with functional networks. These findings suggest that the spatial patterns of tau and glucose hypometabolism observed in AD resemble the functional organization of the healthy brain, supporting the notion that tau pathology spreads through circumscribed brain networks and drives neurodegeneration.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2018

Microstructure and Performance of Nano-WC Particle-Strengthened Ni Coatings by Electro-brush Plating

Nano-WC particle-strengthened Ni composite coatings were prepared by electro-brush plating. A series of artificial neural network models was developed for the analysis and prediction of the coating performance. The microstructure and phase structure were studied with SEM, XRD and EDS. Nano-WC particles as the hard phase were distributed evenly and dispersed in the coatings, which was conducive to the hardness enhancement of the coatings. Additionally, nano-WC particles as microballs inserted in the coatings could reduce the friction when wear of the coating surface occurred. Furthermore, the addition of nano-WC particles delayed the time of crack initiation and propagation in the coatings, which increased the service lifetime when they worked in a thermal shock environment.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

NASA NTRS1993

GE networked mass storage solutions supporting IEEE network mass storage model

The General Electric Government Communications Systems Department (GE/GCSD) has developed a near real time digital data storage and retrieval system that extends the capabilities currently available in today's marketplace. This system called DuraStore uses commercially available rotary tape drive technology with ANSI/IEEE standards for automated magnetic tape based data storage. It uses a nonproprietary approach to satisfy a wide range of data rates and storage capabilities requirements and is compliant with the IEEE Network Storage Model. Rotary tape drives, standard interfaces, application specific hardware/software, networked automated tape libraries, library administrator, write protection, volume/physical media linkages, and maximum resource utilization are addressed.

Herzog, Donald↗

DOE OSTI2023

Natural Language Processing-Enhanced Nuclear Industry Operating Experience Data Analysis: Aggregation and Interpretation of Multi-Report Analysis Results

Industry-wide operating experience is a critical source of raw data for reliability and risk model parameter estimations for nuclear power plants. A large portion of operating experience data are failure events stored as reports that contain unstructured data, such as narratives. In current practice, a failure report is usually reviewed and manually coded by analysts. The coding is based on extracting several event characteristics such as system name, component type, sub-part type, failure mode, and failure cause. Event narratives are mostly used to help understand events and extract their characteristics. In this line of research, we aim to maximize the usage of event narratives by leveraging natural language processing (NLP) methods to automatically convert an event narrative to a causal graph. This research has promise to improve physical understanding of failure initiation and propagation and to facilitate use of non-failure data (e.g., near-misses and degradations) to complement the limited data pool of failures. In our previous work, we developed an NLP tool and applied it to analyze a number of licensee event reports submitted by U.S. nuclear power plants to the Nuclear Regulatory Commission. In this paper, we will report our recent research progress in aggregating the results of multiple reports, developing network model(s), and drawing statistical insights.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2018

Detection of Lung Contour with Closed Principal Curve and Machine Learning

Radiation therapy plays an essential role in the treatment of cancer. In radiation therapy, the ideal radiation doses are delivered to the observed tumor while not affecting neighboring normal tissues. In three-dimensional computed tomography (3D-CT) scans, the contours of tumors and organs-at-risk (OARs) are often manually delineated by radiologists. The task is complicated and time-consuming, and the manually delineated results will be variable from different radiologists. We propose a semi-supervised contour detection algorithm, which firstly uses a few points of region of interest (ROI) as an approximate initialization. Then the data sequences are achieved by the closed polygonal line (CPL) algorithm, where the data sequences consist of the ordered projection indexes and the corresponding initial points. Finally, the smooth lung contour can be obtained, when the data sequences are trained by the backpropagation neural network model (BNNM). We use the private clinical dataset and the public Lung Image Database Consortium and Image Database Resource Initiative (LIDC-IDRI) dataset to measure the accuracy of the presented method, respectively. To the private dataset, experimental results on the initial points which are as low as 15% of the manually delineated points show that the Dice coefficient reaches up to 0.95 and the global error is as low as 1.47 × 10{sup −2}. The performance of the proposed algorithm is also better than the cubic spline interpolation (CSI) algorithm. While on the public LIDC-IDRI dataset, our method achieves superior segmentation performance with average Dice of 0.83.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2024

Machine learning assisted search for Fe–Co–C ternary compounds with high magnetic anisotropy

We employ a machine learning (ML)-guided framework to explore rare earth free magnetic materials, specifically focusing on Fe–Co–C ternary compounds for potential use in permanent magnets. Utilizing a specifically trained crystal graph convolutional neural network model, we efficiently screen a vast space of nearly a million substitutional structures to select 620 promising structures for further investigation by first-principles calculation. We predict five low-energy metastable Fe–Co–C compounds with formation energy less than 150 meV/atom above the convex hull. These compounds exhibit high magnetization (Js > 1.0 T) and significant magnetic anisotropy (K1 > 1.0 MJ/m3), making them promising candidates for permanent magnet applications. The phonon calculations indicate these compounds are dynamically stable. Our ML-guided framework demonstrates the utility of rapidly identifying novel materials with tailored magnetic properties.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Water – Polysaccharide Interactions in the Primary Cell Wall of Arabidopsis thaliana from Polarization Transfer Solid-State NMR

Explore the source record for details and available documents.

biofuels (including algae and biomass), bio-inspir↗

NASA NTRSDate not supplied

Next Steps: Laying the Groundwork for Bundle Protocol v7

Delay/Disruption Tolerant Networking (DTN) is a networking model and protocol suite that extends the terrestrial internet to the challenging communication environments of space. These environments are typically subject to frequent disruptions, which can cause delays or errors. DTN protects data transmission by wrapping data into bundles (similar to Internet Protocol packets), storing them until a connection can be established between two nodes (similar to terrestrial routers or computers), and forwarding them to their destinations. Bundle Protocol (BP) is responsible for generating those bundles and creates the transport layer of DTN, much like how Transmission Control Protocol (TCP) and User Datagram Protocol (UDP) create the transport layer of the Internet Protocol. BPv6 is the current, accepted version of the Bundle Protocol standard. However, recent missions and test implementations have revealed missing components and areas for improvement in the standard. Using lessons learned from NASA missions and gathering inspiration from the Internet Protocol, BPv7 is intended to be a more robust Bundle Protocol that improves upon its predecessor and increases the technology readiness level of the DTN architecture. The DTN Standard Interface Design team, a sub-team of the DTN Infusion Project at the Goddard Space Flight Center, worked to create a dictionary of terms for bundle components and functional decomposition of the protocol. These efforts aided in the standardization of BP interfaces, something missing from BPv6, and supported parallel network management and configuration work. This standardization will ultimately contribute to LunaNet (a lunar communications and navigation architecture that will bring networking, positioning, navigation, timing and science services to the Moon), the Solar System Internet (SSI), and expand crewed and uncrewed space exploration opportunities.

DTN↗

NASA NTRSDate not supplied

Next Steps: Laying the Groundwork for Bundle Protocol v7

dtn↗

DOE OSTI2013

Rapid Countermeasure Discovery against Francisella tularensis Based on a Metabolic Network Reconstruction

In the future, we may be faced with the need to provide treatment for an emergent biological threat against which existing vaccines and drugs have limited efficacy or availability. To prepare for this eventuality, our objective was to use a metabolic network-based approach to rapidly identify potential drug targets and prospectively screen and validate novel small molecule antimicrobials. Our target organism was the fully virulent Francisella tularensis subspecies tularensis Schu S4 strain, a highly infectious intracellular pathogen that is the causative agent of tularemia and is classified as a category A biological agent by the Centers for Disease Control and Prevention. We proceeded with a staggered computational and experimental workflow that used a strain-specific metabolic network model, homology modeling and X-ray crystallography of protein targets, and ligand- and structure-based drug design. Selected compounds were subsequently filtered based on physiological-based pharmacokinetic modeling, and we selected a final set of 40 compounds for experimental validation of antimicrobial activity. We began screening these compounds in whole bacterial cell-based assays in biosafety level 3 facilities in the 20th week of the study and completed the screens within 12 weeks. Six compounds showed significant growth inhibition of F. tularensis, and we determined their respective minimum inhibitory concentrations and mammalian cell cytotoxicities. The most promising compound had a low molecular weight, was non-toxic, and abolished bacterial growth at 13 mM, with putative activity against pantetheine-phosphate adenylyltransferase, an enzyme involved in the biosynthesis of coenzyme A, encoded by gene coaD. The novel antimicrobial compounds identified in this study serve as starting points for lead optimization, animal testing, and drug development against tularemia. Our integrated in silico/in vitro approach had an overall 15% success rate in terms of active versus tested compounds over an elapsed time period of 32 weeks, from pathogen strain identification to selection and validation of novel antimicrobial compounds.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2017

UAV Trajectory Modeling Using Neural Networks

Massive small unmanned aerial vehicles are envisioned to operate in the near future. While there are lots of research problems need to be addressed before dense operations can happen, trajectory modeling remains as one of the keys to understand and develop policies, regulations, and requirements for safe and efficient unmanned aerial vehicle operations. The fidelity requirement of a small unmanned vehicle trajectory model is high because these vehicles are sensitive to winds due to their small size and low operational altitude. Both vehicle control systems and dynamic models are needed for trajectory modeling, which makes the modeling a great challenge, especially considering the fact that manufactures are not willing to share their control systems. This work proposed to use a neural network approach for modelling small unmanned vehicle's trajectory without knowing its control system and bypassing exhaustive efforts for aerodynamic parameter identification. As a proof of concept, instead of collecting data from flight tests, this work used the trajectory data generated by a mathematical vehicle model for training and testing the neural network. The results showed great promise because the trained neural network can predict 4D trajectories accurately, and prediction errors were less than 2:0 meters in both temporal and spatial dimensions.

Neural Networks↗

DOE OSTI2018

Validating quantum-classical programming models with tensor network simulations

The exploration of hybrid quantum-classical algorithms and programming models on noisy near-term quantum hardware has begun. As hybrid programs scale towards classical intractability, validation and benchmarking are critical to understanding the utility of the hybrid computational model. In this paper, we demonstrate a newly developed quantum circuit simulator based on tensor network theory that enables intermediate-scale verification and validation of hybrid quantum-classical computing frameworks and programming models. We present our tensor-network quantum virtual machine (TNQVM) simulator which stores a multi-qubit wavefunction in a compressed (factorized) form as a matrix product state, thus enabling single-node simulations of larger qubit registers, as compared to brute-force statevector simulators. Our simulator is designed to be extensible in both the tensor network form and the classical hardware used to run the simulation (multicore, GPU, distributed). The extensibility of the TNQVM simulator with respect to the simulation hardware type is achieved via a pluggable interface for different numerical backends (e.g., ITensor and ExaTENSOR numerical libraries). We demonstrate the utility of our TNQVM quantum circuit simulator through the verification of randomized quantum circuits and the variational quantum eigensolver algorithm, both expressed within the eXtreme-scale ACCelerator (XACC) programming model.

97 MATHEMATICS AND COMPUTING↗