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At least 1,765 records · Page 98

Threat Agnostic Virulence Assessment of Pathogens

Virulence assessment of new, emerging, and engineered pathogens is critical to mounting an appropriate response to a biothreat agent. The capacity of the pathogen to colonize human and harm tissues must be characterized to understand pathogenicity pathways and optimize diagnosis and treatment of resulting disease. Respiratory pathogens are of interest because they can have high transmissibility rates, as observed with the SARS-CoV-2 virus, the causative agent of Covid-19. Current technologies are insufficient to assess threats due to their reliance on systems with only one cell type and on sequencing the pathogen. However, it is known that sequence is not an accurate predictor of function, and sequencing can be unreliable for newly emerged or engineered pathogens. An ideal system would consist of relevant epithelial cell types and an assay sensitive enough to detect changes in host responses that do not rely on DNA sequencing. We chose a system consisting of host lung epithelial cells that can be used to assess the virulence of unknown respiratory pathogens. We interrogated pathogens using this model and assess features of pathogenicity. Our objective is to leverage PNNLs strengths in tissue engineering and proteomics capabilities to build a multiple reaction monitoring (MRM) or parallel reaction monitoring (PRM) liquid chromatography-tandem mass spectrometry assay for human host cell proteins whose abundance is influenced by infection. These responses can were then assessed for relative virulence using pathogen agnostic signatures. When confronted with a pathogen, cells activate dedicated signaling pathways, typically through phosphorylation of regulatory proteins and downstream activation of host cell networks.

59 BASIC BIOLOGICAL SCIENCES↗

LYNM PE1 Shot A Meteorology Team Technical Report

Weather support for Shot A was done by NOAA’s Air Resources Laboratory (ARL) / Special Operations and Research Division (SORD) and Lawrence Livermore National Laboratory (LLNL). Weather support activities included wind and precipitation forecasting, maintaining and monitoring PE1 meteorology towers MT02-11, maintaining and monitoring the ARL/SORD tower on Aqueduct Mesa (A12AI, also called MT01), maintaining and monitoring the Blackbrush energy flux tower, radiosonde preparation and launch, providing weather conditions on shot day for go/no-go criteria, and quality control and submission of the datasets. ARL/SORD additionally maintains and monitors the meteorological tower network (Mesonet) and sodar (at Desert Rock) for NNSS.

54 ENVIRONMENTAL SCIENCES↗

Living on the edge: a non-perturbative resolution to the negativity of bulk entropies

Lin, Maldacena, Rozenberg, and Shan (LMRS) presented a new information paradox in black hole physics by noticing that the entanglement and Rényi entropies in a two-sided black hole can become negative when the geometry contains a very large number of matter excitations behind the black hole horizon. While originally this puzzle was presented in the context of BPS two-sided black holes in two-dimensional supergravity, the negativity in fact persists for more general two-sided black holes in the presence of a large number of matter excitations. Since the entanglement and Rényi entropies in ordinary quantum systems cannot be negative, resolving this puzzle is a necessary step towards understanding the quantum mechanical description of black holes. In this paper, we explain how to address the entanglement negativity puzzle, both in the original setting discussed by LMRS and in more general non-supersymmetric settings, by summing over all non-perturbative contributions to the gravitational path integral. We then interpret this result from the point of view of a dual matrix integral, which we use to extend our analysis beyond the regime of validity of the genus re-summation performed in the gravitational path integral. In this regime, positivity is rescued by new saddles of the matrix integral, a one-eigenvalue instanton and a two-eigenvalue instanton. Finally, we formulate a similar puzzle and its resolution using random tensor network techniques.

FOS: Physical sciences↗

Multi-Kernel Adaptive Support Vector Machine for Scalable Predictive Maintenance

Application of data-driven solutions across an industry is challenging, since the data are often stored locally, and increasing privacy and security concerns restrict access to the data. In addition, it is highly unlikely that all potential data patterns are captured in a single data source. Because it is highly unlikely that all potential data patterns are captured in a single data source, machine learning (ML) models developed from a single source cannot be robust enough. An alternative is to train the ML model at each source and develop a distributed knowledge discovery and aggregation approach to build global knowledge. In this paper, we develop and demonstrate a distributed ML model, federated transfer learning (FTL), using a multi-kernel-based adaptive support vector machine (MK-A-SVM). For federated learning (FL), the multi-kernel (MK) approach enables feature-specific model aggregation under data heterogeneity; whereas for transfer learning (TL) the adaptive model enables utilization of an aggregated model from a different task. The proposed approach is validated using nuclear power plant (NPP) vertical motor-driven pump data to predict the health condition of vertical motor-driven pumps as an anomaly detection. The efficiency of the proposed approach is also quantified and compared with neural network.

42 ENGINEERING↗

Encouraging the pursuit of advanced degrees in science and engineering: Top-down and bottom-up methodologies

The MassPEP/NASA Graduate Research Development Program (GRDP) whose objective is to encourage Black Americans, Mexican Americans, American Indians, Puerto Ricans, and Pacific Islanders to pursue graduate degrees in science and engineering is described. The GRDP employs a top-down or goal driven methodology through five modules which focus on research, graduate school climate, technical writing, standardized examinations, and electronic networking. These modules are designed to develop and reinforce some of the skills necessary to seriously consider the goal of completing a graduate education. The GRDP is a community-based program which seeks to recruit twenty participants from a pool of Boston-area undergraduates enrolled in engineering and science curriculums and recent graduates with engineering and science degrees. The program emphasizes that with sufficient information, its participants can overcome most of the barriers perceived as preventing them from obtaining graduate science and engineering degrees. Experience has shown that the top-down modules may be complemented by a more bottom-up or event-driven methodology. This approach considers events in the academic and professional experiences of participants in order to develop the personal and leadership skills necessary for graduate school and similar endeavors.

Maddox, Anthony B.↗

Radio science with Voyager 2 at Uranus - Results on masses and densities of the planet and five principal satellites

Phase-coherent Doppler data generated by the Deep Space Network with the radio communication system during the Voyager 2 encounter with Uranus in January 1986, optical navigation data generated by the Voyager Navigation Team with the Voyager 2 imaging system, and ground-based astrometric data obtained over an 8-yr period are compiled and analyzed to determine the masses and densities of Uranus and its principal satellites. The data-analysis procedures are explained in detail, and the results are presented in tables and graphs. The mean density of Uranus is found to be 1.285 + or - 0.001 g/cu cm, whereas the mean uncompressed mass of all five satellites is 1.48 + or - 0.06 g/cu cm, or 0.10 g/cu cm above the density expected for a homogeneous solar mix of rock, H2O and NH3 ice, and CH4 as clathrate hydrate. This difference is tentatively attributed to the presence of 15 mass percent of pure graphite, which would provide the thermal conductivity required to keep the satellites cold and undifferentiated.

Anderson, J. D.↗

Neural Network Solver for Small Quantum Clusters

Machine learning approaches have recently been applied to the study of various problems in physics. Most of these studies are focused on interpreting the data generated by conventional numerical methods or the data on an existing experimental database. An interesting question is whether it is possible to use a machine learning approach, in particular a neural network, for solving the many-body problem. In this paper, we present a neural network solver for the single impurity Anderson model, the paradigm of an interacting quantum problem in small clusters. We demonstrate that the neural-network-based solver provides quantitative accurate results for the spectral function as compared to the exact diagonalization method. This opens the possibility of utilizing the neural network approach as an impurity solver for other many-body numerical approaches, such as the dynamical mean field theory.

36 MATERIALS SCIENCE↗

Applying Deep Learning for Wildfire Identification: Economical and Accessible Solutions Leveraging Small Datasets

Wildfires significantly impact human health, air quality, visibility, weather, and climate change and cause substantial economic losses. While state and county-operated air quality monitors provide critical insights during wildfires, they are not available in all regions. This highlights the need for affordable, accessible tools that allow the general public to assess air quality impacts. In this study, we apply machine learning with deep neural networks to diagnose air quality rapidly from sky images taken at the Pacific Northwest National Laboratory in Richland, WA, USA. Using a convolutional neural network (CNN) framework, we trained a deep learning model to classify air quality indices based on sky images. By leveraging transfer learning, our approach fine-tunes a pre-trained model on a small dataset of sky images, significantly reducing training time while maintaining high accuracy. Our results demonstrate the potential of deep learning to provide rapid air quality diagnostics during wildfire episodes, offering early warnings to the public and enabling timely mitigation strategies, particularly for vulnerable populations. Additionally, we show that lower respiratory infections pose the highest health risk during acute smoke exposures. Reactive oxygen species (ROS) from wildfire particles further exacerbate health risks by triggering inflammation and other adverse effects.

54 ENVIRONMENTAL SCIENCES↗

Recent Advances in the Roles of HSFs and HSPs in Heat Stress Response in Woody Plants

A continuous increase in ambient temperature caused by global warming has been considered a worldwide threat. As sessile organisms, plants have evolved sophisticated heat shock response (HSR) to respond to elevated temperatures and other abiotic stresses, thereby minimizing damage and ensuring the protection of cellular homeostasis. In particular, for perennial trees, HSR is crucial for their long life cycle and development. HSR is a cell stress response that increases the number of chaperones including heat shock proteins (HSPs) to counter the negative effects on proteins caused by heat and other stresses. There are a large number of HSPs in plants, and their expression is directly regulated by a series of heat shock transcription factors (HSFs). Therefore, understanding the detailed molecular mechanisms of woody plants in response to extreme temperature is critical for exploring how woody species will be affected by climate changes. In this review article, we summarize the latest findings of the role of HSFs and HSPs in the HSR of woody species and discuss their regulatory networks and cross talk in HSR. In addition, strategies and programs for future research studies on the functions of HSFs and HSPs in the HSR of woody species are also proposed.

59 BASIC BIOLOGICAL SCIENCES↗

Harnessing Neural Networks for Elucidating X-ray Absorption Structure–Spectrum Relationships in Amorphous Carbon

Improved understanding of structural and chemical properties through local experimental probes, such as X-ray absorption near-edge structure (XANES) spectroscopy, is crucial for the understanding and design of functional materials. In recent years, significant advancements have been made in the development of data science approaches for the automated interpretation of XANES structure–spectrum relationships. However, existing studies have primarily focused on crystalline solids and small molecules, while fewer efforts have been devoted to disordered systems. Thus, in this work, we demonstrate the development of neural network models for predicting and interpreting XANES spectra of amorphous carbon (a-C) from local structural descriptors. Comparison between different structural descriptors expectedly shows that the inclusion of both bond length and bond angle information is necessary for an accurate prediction of the spectra. Among the descriptors considered in this work, we find that the local many-body tensor representation yields the highest accuracy and greatest interpretability so that it can be leveraged to understand the importance of structural motifs in determining XANES spectra. Furthermore, we also discuss performance of neural network models for predicting both local structure features, such as bond lengths and bond angles, and global chemical composition, such as the sp:sp 2 :sp 3 ratio.

36 MATERIALS SCIENCE↗

Fast and accurate reduced-order modeling of a MOOSE-based additive manufacturing model with operator learning

One predominant challenge in additive manufacturing (AM) is to achieve specific material properties by manipulating manufacturing process parameters during the runtime. Such manipulation tends to increase the computational load imposed on existing simulation tools employed in AM. The goal of the present work is to construct a fast and accurate reduced-order model (ROM) for an AM model developed within the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework, ultimately reducing the time/cost of AM control and optimization processes. Our adoption of the operator learning (OL) approach enabled us to learn a family of differential equations produced by altering process variables in the laser’s Gaussian point heat source. More specifically, we used the Fourier neural operator (FNO) and deep operator network (DeepONet) to develop ROMs for time-dependent responses. Furthermore, we benchmarked the performance of these OL methods against a conventional deep neural network (DNN)-based ROM. Ultimately, we found that OL methods offer comparable performance and, in terms of accuracy and generalizability, even outperform DNN at predicting scalar model responses. The DNN-based ROM afforded the fastest training time. Furthermore, all the ROMs were faster than the original MOOSE model yet still provided accurate predictions. FNO had a smaller mean prediction error than DeepONet, with a larger variance for time-dependent responses. Unlike DNN, both FNO and DeepONet were able to simulate time series data without the need for dimensionality reduction techniques. Finally, the present work can help facilitate the AM optimization process by enabling faster execution of simulation tools while still preserving evaluation accuracy.

36 MATERIALS SCIENCE↗

Cassini Information Management System in Distributed Operations Collaboration and Cassini Science Planning

Launched on October 15, 1997, the Cassini-Huygens spacecraft began its ambitious journey to the Saturnian system with a complex suite of 12 scientific instruments, and another 6 instruments aboard the European Space Agencies Huygens Probe. Over the next 6 1/2 years, Cassini would continue its relatively simplistic cruise phase operations, flying past Venus, Earth, and Jupiter. However, following Saturn Orbit Insertion (SOI), Cassini would become involved in a complex series of tasks that required detailed resource management, distributed operations collaboration, and a data base for capturing science objectives. Collectively, these needs were met through a web-based software tool designed to help with the Cassini uplink process and ultimately used to generate more robust sequences for spacecraft operations. In 2001, in conjunction with the Southwest Research Institute (SwRI) and later Venustar Software and Engineering Inc., the Cassini Information Management System (CIMS) was released which enabled the Cassini spacecraft and science planning teams to perform complex information management and team collaboration between scientists and engineers in 17 countries. Originally tailored to help manage the science planning uplink process, CIMS has been actively evolving since its inception to meet the changing and growing needs of the Cassini uplink team and effectively reduce mission risk through a series of resource management validation algorithms. These algorithms have been implemented in the web-based software tool to identify potential sequence conflicts early in the science planning process. CIMS mitigates these sequence conflicts through identification of timing incongruities, pointing inconsistencies, flight rule violations, data volume issues, and by assisting in Deep Space Network (DSN) coverage analysis. In preparation for extended mission operations, CIMS has also evolved further to assist in the planning and coordination of the dual playback redundancy of highvalue data from targets such as Titan and Enceladus. This paper will outline the critical role that CIMS has played for Cassini in the distributed ops paradigm throughout operations. This paper will also examine the evolution that CIMS has undergone in the face of new science discoveries and fluctuating operational needs. And finally, this paper will conclude with theoretical adaptation of CIMS for other projects and the potential savings in cost and risk reduction that could potentially be tapped into by future missions.

Equils, Douglas J.↗

Palladium-Percolated Networks Enabled by Low Loadings of Branched Nanorods for Enhanced H 2 Separations

Nanoparticles (NPs) at high loadings are often used in mixed matrix membranes (MMMs) to improve gas separation properties, but they can lead to defects and poor processability that impede membrane fabrication. Herein, it is demonstrated that branched nanorods (NRs) with controlled aspect ratios can significantly reduce the required loading to achieve superior gas separation properties while maintaining excellent processability, as demonstrated by the dispersion of palladium (Pd) NRs in polybenzimidazole for H 2 /CO 2 separation. Increasing the aspect ratio from 1 for NPs to 40 for NRs decreases the percolation threshold volume fraction by a factor of 30, from 0.35 to 0.011. An MMM with percolated networks formed by Pd NRs at a volume fraction of 0.039 exhibits H 2 permeability of 110 Barrer and H 2 /CO 2 selectivity of 31 when challenged with simulated syngas at 200 °C, surpassing Robeson's upper bound. In conclusion, this work highlights the advantage of NRs over NPs and nanowires and shows that right-sizing nanofillers in MMMs is critical to construct highly sieving pathways at minimal loadings. In conclusion, this work paves the way for this general feature to be applied across materials systems for a variety of chemical separations.

36 MATERIALS SCIENCE↗

High throughput, accurate gene annotation through AI and HPC-enabled structural analysis

With the advances in next generation sequencing technologies, the number of sequenced genomes is growing exponentially, resulting in a technology bottleneck for the translation of sequence information into usable hypotheses about the function of each gene. We have proposed leveraging our leadership high-performance computing (HPC) resources to help break this annotation bottleneck. Here we design an HPC-based framework to infer gene function from gene sequence by incorporating information about protein structure and interactions predicted by deep learning approaches. Accurate functional prediction and gene annotation using computational methods will facilitate breakthroughs in the genomic sciences essential to understanding and harnessing life processes in bacteria, fungi and plants. The development and applications of the state-of-the-art deep neural networks to protein structural modeling, interaction prediction, sequence comparison, and quality assessment of protein structural models will be made possible by leadership computational resources. These HPC-enabled bioinformatics and molecular modeling tools will provide powerful insights into molecular functions of genes.

59 BASIC BIOLOGICAL SCIENCES↗

NH-PINN: Neural homogenization-based physics-informed neural network for multiscale problems

Physics-informed neural network (PINN) is a data-driven approach to solving equations. It is successful in many applications; however, the accuracy of the PINN is not satisfactory when it is used to solve multiscale equations. Homogenization approximates a multiscale equation by a homogenized equation without multiscale property; it includes solving cell problems and the homogenized equation. The cell problems are periodic, and we propose an oversampling strategy that significantly improves the PINN accuracy on periodic problems. The homogenized equation has a constant or slow dependency coefficient and can also be solved by PINN accurately. We hence proposed a 3-step method, neural homogenization based PINN (NH-PINN), to improve the PINN accuracy for solving multiscale problems with the help of homogenization.

97 MATHEMATICS AND COMPUTING↗

Using artificial intelligence to detect human errors in nuclear power plants: A case in operation and maintenance

Human error (HE) is an important concern in safety-critical systems such as nuclear power plants (NPPs). HE has played a role in many accidents and outage incidents in NPPs. Despite the increased automation in NPPs, HE remains unavoidable. Hence, the need for HE detection is as important as HE prevention efforts. In NPPs, HE is rather rare. Hence, anomaly detection, a widely used machine learning technique for detecting rare anomalous instances, can be repurposed to detect potential HE. In this study, we develop an unsupervised anomaly detection technique based on generative adversarial networks (GANs) to detect anomalies in manually collected surveillance data in NPPs. More specifically, our GAN is trained to detect mismatches between automatically recorded sensor data and manually collected surveillance data, and hence, identify anomalous instances that can be attributed to HE. We test our GAN on both a real-world dataset and an external dataset obtained from a testbed, and we benchmark our results against state-of-the-art unsupervised anomaly detection algorithms, including one-class support vector machine and isolation forest. Our results show that the proposed GAN provides improved anomaly detection performance. Our study is promising for the future development of artificial intelligence based HE detection systems.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Predicting future well performance for environmental remediation design using deep learning

Here in this study, we developed a deep learning (DL) framework with a multi-channel three-dimensional convolutional neural network (MC3D-CNN) to predict well performance and thereby assist future environmental remediation design. Such prediction of extraction well performance at designated locations is critical for configuring pump-and-treat (P&T) well network design and operation, setting reasonable target closure dates for overall remedying, and estimating remedy costs. The framework is developed with operational and monitoring data routinely collected during P&T remedy operations, including well extraction and injection rates as well as in situ contaminant concentrations. Traditionally, the collected data were rarely used for purposes other than assessing past well performance and the accuracy of the conceptual site model. However, recent advances in data-driven computational approaches enable better use of the large datasets to inform future well performance, enhance site characterization, and improve remediation planning. In this study, we established a DL framework to integrate transient three-dimensional contaminant plumes and multiple aquifer properties (e.g., hydraulic conductivity and hydrostratigraphic maps) to identify characteristic patterns controlling and representing extraction well mass recovery, aiming at providing future mass recovery estimates for existing wells and candidate wells at any proposed locations. We evaluated our framework by using a realistic synthetic dataset generated from a well-calibrated flow and transport model used in the 200 West Area of the U.S. Department of Energy’s Hanford Site in southeastern Washington state. The multi-channel feature in our framework allows integration of various types and temporal densities of training datasets for DL model development. Overall, we found that the trained DL model achieved an accuracy of over 90% in ranking extraction well performance in validation datasets, and over 80% in predicting high-performance-ranking well locations. This data-informed approach provides a flexible tool to support adaptive site management, streamline decision-making, and potentially reduce remediation time and costs. Our DL framework can be used as a filtering tool to improve the current P&T network optimization design by reducing the number of candidate well locations.

54 ENVIRONMENTAL SCIENCES↗

The GPS Topex/Poseidon precise orbit determination experiment - Implications for design of GPS global networks

Topex/Poseidon, a cooperative satellite mission between United States and France, aims to determine global ocean circulation patterns and to study their influence on world climate through precise measurements of sea surface height above the geoid with an on-board altimeter. To achieve the mission science aims, a goal of 13-cm orbit altitude accuracy was set. Topex/Poseidon includes a Global Positioning System (GPS) precise orbit determination (POD) system that has now demonstrated altitude accuracy better than 5 cm. The GPS POD system includes an on-board GPS receiver and a 6-station GPS global tracking network. This paper reviews early GPS results and discusses multi-mission capabilities available from a future enhanced global GPS network, which would provide ground-based geodetic and atmospheric calibrations needed for NASA deep space missions while also supplying tracking data for future low Earth orbiters. Benefits of the enhanced global GPS network include lower operations costs for deep space tracking and many scientific and societal benefits from the low Earth orbiter missions, including improved understanding of ocean circulation, ocean-weather interactions, the El Nino effect, the Earth thermal balance, and weather forecasting.

Lindqwister, Ulf J.↗