Automating Manual Quality Control (QC) of Tropospheric Doppler Radar Wind Profiler (TDRWP) Archive Data with Machine Learning
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Corey Walker↗
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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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Effective delineation of rare metal-bearing granites from remote sensing data using machine learning methods: A case study from the Umm Naggat Area, Central Eastern Desert, Egypt
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Mohamed A. Abdelkader↗
Multi-channel, multi-template event reconstruction for SuperCDMS data using machine learning
SuperCDMS SNOLAB uses kilogram-scale germanium and silicon detectors to search for dark matter. Each detector has Transition Edge Sensors (TESs) patterned on the top and bottom faces of a large crystal substrate, with the TESs electrically grouped into six phonon readout channels per face. Noise correlations are expected among a detector's readout channels, in part because the channels and their readout electronics are located in close proximity to one another. Moreover, owing to the large size of the detectors, energy deposits can produce vastly different phonon propagation patterns depending on their location in the substrate, resulting in a strong position dependence in the readout-channel pulse shapes. Both of these effects can degrade the energy resolution and consequently diminish the dark matter search sensitivity of the experiment if not accounted for properly. We present a new algorithm for pulse reconstruction, mathematically formulated to take into account correlated noise and pulse shape variations. This new algorithm fits N readout channels with a superposition of M pulse templates simultaneously - hence termed the N$\times$M filter. We describe a method to derive the pulse templates using principal component analysis (PCA) and to extract energy and position information using a gradient boosted decision tree (GBDT). We show that these new N$\times$M and GBDT analysis tools can reduce the impact from correlated noise sources while improving the reconstructed energy resolution for simulated mono-energetic events by more than a factor of three and for the 71Ge K-shell electron-capture peak recoils measured in a previous version of SuperCDMS called CDMSlite to $<$ 50 eV from the previously published value of $\sim$100 eV. These results lay the groundwork for position reconstruction in SuperCDMS with the N$\times$M outputs.
Albakry, M. F. [British Columbia U.; TRIUMF]↗
A data-driven framework for predicting machining stability: employing simulated data, operational modal analysis, and enhanced transfer learning
Chatter, a self-excited vibration phenomenon, presents a significant challenge in machining operations, particularly in high-speed milling, where it can degrade tool life, reduce material removal efficiency, and compromise workpiece quality. Addressing this challenge requires a reliable predictive model that can accommodate the complex dynamics of various machining scenarios. This study introduces a novel, data-driven approach to predicting machining stability, leveraging over 140,000 simulated datasets and employing advanced techniques such as operational modal analysis (OMA), enhanced transfer learning (TL), and receptance coupling substructure analysis (RCSA). By integrating these methodologies, the framework effectively classifies and predicts chatter across diverse operational modes, achieving robust and accurate outcomes. Our model utilizes a Random Forest (RF) classifier trained with the comprehensive dataset, which demonstrates substantial improvements in both predictive accuracy and robustness. Specifically, the RF model achieved an accuracy rate of 85%, an area under the curve (AUC) of 0.90, and an F1 score of 0.88, underscoring its capability to adapt to varying machining configurations. These results highlight the framework’s potential to enhance operational efficiency and machining quality by providing reliable chatter predictions across a broad range of machining parameters. In conclusion, this research thus offers a significant advancement in predictive maintenance for machining processes, enabling more stable and efficient manufacturing operations.
42 ENGINEERING↗
Quantum-Inspired Bayesian Sampling for Uncertainty Quantification and Machine Learning (Final Technical Report)
With increasing simulation and measurement data, machine learning and artificial intelligence have been widely used in computational decision-making of complex engineering systems. The resulting tools, such as uncertainty quantification solvers, reinforcement learning, and physics-informed machine learning, have achieved great success in critical DOE tasks such as material discovery and design, energy system modeling and control, and numerical weather and climate prediction. A core topic in scientific machine learning and artificial intelligence is Bayesian inference: given an observed data set, people want to estimate the posterior distribution of a (possibly large) number of hidden parameters. Due to the flexibility and weak assumptions, Bayesian sampling has been the mainstream Bayesian inference solvers despite the rapid progress of approximate Bayesian inference. Classical Bayesian sampling methods such as Markov-chain Monte Carlo suffer from a low-acceptance rate due to the random walk nature, therefore state-of-the-art techniques use Hamiltonian Monte Carlo and its variants to efficiently draw posterior samples in a high dimension. The key idea of Hamiltonian Monte Carlo and its variants is to simulate the Hamiltonian dynamics of a classical particle with a fixed mass, and their performance significantly degrades when the posterior distribution is highly spiky or has multiple modes. Leveraging the idea of quantum physics, this project has investigated new theory, algorithms and applications of Bayesian inference (especially Bayesian sampling). The main results include: (1) novel quantum-inspired Bayesian sampling methods that can lead to better accuracy for challenging multi-modal or spiky distributions, (2) more scalable machine learning framework leveraging tensor-compressed Bayesian inference, and (3) Bayesian and sampling approaches for verifying the robustness of continuous and binary neural networks.
97 MATHEMATICS AND COMPUTING↗
BatteryPro: A Python Toolkit for Battery Data Analysis and Machine Learning Predictions
Analyzing battery test data for research & development can be time-consuming since battery tests often run on the order of months to years, generating large volumes of data. BatteryPro is a comprehensive Python package and software designed to facilitate advanced analysis and performance predictions for battery test data. Developed for battery researchers, it supports data types from widely used battery testing instruments, including MACCOR and Biologic cycling systems. The software provides a variety of tools for extracting and plotting key battery parameters such as time, voltage, capacity, current, and pressure. In addition to its extensive data analysis capabilities, BatteryPro features a dedicated machine learning module that employs a Bayesian Gaussian Mixture Model (GMM) to predict battery performance and degradation. Users can generate synthetic capacity fade data, calculate fade metrics, and leverage predictive models to forecast long-term battery behavior. The software's graphical user interface (GUI) enhances usability, allowing researchers to upload, merge, and analyze multiple data files with full customizability. The GUI also supports machine learning predictions, enabling users to fit models and make predictions based on selected data and parameters. BatteryPro is built using QtDesigner, scikit-learn, matplotlib, and pandas, ensuring a high level of customization, flexibility, and accuracy in battery data analysis. This tool aims to empower researchers with the ability to perform detailed battery analysis and make informed predictions, ultimately advancing the field of battery research.
25 - ENERGY STORAGE↗
The preparation and archiving of machine-readable astronomical data
The preparation of machine-readable astronomical catalogs for archiving and distribution from the ADC is described. Examples of specific format and data structure changes to improve compatibility with other computers, to homogenize the presentation of astronomical data among catalogs, and to increase storage efficiency are given. Various checks which are often made to insure internal consistency and for comparison with published versions are identified and the importance of permanently archiving astronomical data in the best possible condition is emphasized.
Warren, W. H., Jr.↗
Data processing 1: Advancements in machine analysis of multispectral data
Multispectral data processing procedures are outlined beginning with the data display process used to accomplish data editing and proceeding through clustering, feature selection criterion for error probability estimation, and sample clustering and sample classification. The effective utilization of large quantities of remote sensing data by formulating a three stage sampling model for evaluation of crop acreage estimates represents an improvement in determining the cost benefit relationship associated with remote sensing technology.
Swain, P. H.↗
A computational fluid dynamics algorithm on a massively parallel computer
The implementation and performance of a finite-difference algorithm for the compressible Navier-Stokes equations in two or three dimensions on the Connection Machine are described. This machine is a single-instruction multiple-data machine with up to 65536 physical processors. The implicit portion of the algorithm is of particular interest. Running times and megadrop rates are given for two- and three-dimensional problems. Included are comparisons with the standard codes on a Cray X-MP/48.
Jespersen, Dennis C.↗
Near 40 Years MERRA-2 Data at NASA GES DISC -Opportunity and Challenge to Support Extremes Study
To the end of 2019, 40 years NASA climate reanalysis data sets from the Modern Era Retrospective-analysis for Research and Applications, Version 2 (MERRA-2) will be available at NASA Goddard Earth Sciences Data and Information Services Center (GES DISC). MERRA-2 consists atmosphere, land, and ocean data, which may be used for the studies ranging from the short scale weather events to the large scale decadal vulnerabilities. The hourly products, such as precipitation, soil moisture, temperature, and aerosols etc., have been used widely to study extreme events.In supporting users from broad communities, GES DISC have developed various data access services, including subsetter for downloading only data of interest with preferred format; OPeNDAP - for machine-to-machine data access; and Giovanni- for online visualization and analysis, etc. A big challenge for extreme study is to downloading and processing long-term hourly or daily data. The data downloading performance is not very satisfied by many users with current services and the native archived data structure. Late June 2019, many people in Europe had experienced extreme heat waves. The temperatures in several countries exceeded 40°C (104°F). For example, MERRA-2 shows that the near surface daily maximum temperature of June 28 2019 over Marseille, a city in southern France, reached 41.1 °C (106°F), which is the record breaking temperature in the last 40 years. GES DISC is working together with domain science experts to improve the performance of long time series access, making analysis ready data sets in supporting application researches, such as extreme study. In this presentation, using Europe heat wave as an example, we will show prototype of the in developing service for finding extremes from near 40 years MERRA-2 data at a given location. MERRA-2 data can be accessed from NASA GES DISC(https://disc.gsfc.nasa.gov/ ) by search keyword "MERRA-2".
Shen, Suhung↗
Developing Data-Driven Synthetic Infrastructure Models for Resilience Analysis
Research on infrastructure resilience has produced promising methods to simulate and optimize complex networks to improve performance. However, restrictions on sharing infrastructure models and the steep cost of developing and maintaining infrastructure models presents a roadblock to adoption. To overcome this limitation, this research focuses on methods to create data-driven infrastructure models that will help improve infrastructure resilience and security. The analysis couples incomplete utility data, geospatial data, machine learning, and synthetic network generation methods to rapidly develop and update infrastructure models. The methods are validated using realistic utility models and site-specific data, with a focus on Puerto Rico due to its unique infrastructure challenges and available data. This research highlights promising opportunities for the use of synthetic network generation and machine learning to create infrastructure models when very little data is available. Results demonstrate that hybrid methods, which combine sparse utility data with synthetic models, can enhance model accuracy, and machine learning can predict model attributes using training data from other models. However, the complexity of infrastructure systems means that even minor changes in network connectivity can significantly impact simulation results. Resilience analysis using synthetic infrastructure models shows that while some system behaviors are preserved, the magnitude of disruptions may not be accurately represented, indicating the need for more research and validation before using synthetic models for critical infrastructure investment decisions. The framework outlined in this report represents a significant advance to infrastructure model development and could be applied to additional domains and sites. Future research will continue to streamline and validate methods to help reduce roadblocks to resilience analysis.
24 POWER TRANSMISSION AND DISTRIBUTION↗
Cluster-Graph Fingerprinting: A Framework for Quantitative Analysis of Machine-Learned Interatomic Model Training and Simulation Data
Machine-learned interatomic models represent a significant advancement in simulation methods, extending the predictive ability of first-principles methods to previously inaccessible length and time scales. However, the data-driven nature of these models can lead to difficult-to-detect errors that can compromise prediction accuracy. To address this challenge, we introduce a novel fingerprinting approach based on the Chebyshev Interaction Model for Efficient Simulation (ChIMES) ML-IAM graph-based descriptor. Our strategy enables efficient and statistically rigorous analysis of system configurations used in ML-IAM training and those generated by their application, e.g., in molecular dynamics simulations. We demonstrate that these fingerprints can effectively assess novelty of a configuration relative to an existing data set and determine dissimilarity among individual configurations, which are two key tasks in workflows for active learning-based ML-IAM training, data set curation, and on-the-fly uncertainty quantification.
36 MATERIALS SCIENCE↗
Open Power System Datasets and Open Simulation Engines: A Survey Toward Machine Learning Applications
A major factor behind the success of machine learning (ML) models in multiple domains is the availability and accessibility of large, labeled, and well-organized datasets for training and benchmarking. In comparison, power grid datasets face three major challenges: (i) real-world data is often restricted by regulatory constraints, privacy reasons, or security concerns, making it difficult to obtain and work with; (ii) synthetic datasets, which are created to address these limitations, often have incomplete information and are released using specialized tools, making them inaccessible to the broader community; and, (iii) input-output datasets are difficult to generate through simulation for non-experts because open-source simulators are not known outside the power system community. This survey addresses these challenges by serving as an entry point to publicly available datasets and simulators for researchers venturing in this area. We review the current landscape of open-source power network data, machine models, consumer demand profiles, renewable generation data, and inverter models. We also examine open-source power system simulators, which are crucial for generating high-quality, high-fidelity power grid datasets. We aim to provide a foundation for overcoming data scarcity and advance towards a structured web of datasets and simulators to support the development of ML for power systems.
42 ENGINEERING↗
Information display and interaction in real-time environments
The available information bandwidth as a funcion of system's complexity and time constraints in a real time control environment were examined. Modern interactive graphics techniques provide very high bandwidth data displays. In real time control environments, effective information interaction rates are a function not only of machine data technologies but of human information processing capabilities and the four dimensional resolution of available interaction techniques. The available information bandwidth as a function of system's complexity and time constraints in a real time control environment were examined.
Bocast, A. K.↗
Metadata and supplementary data files for "Machine learning enables reconstruction of past fire regimes from charcoal-derived fire intensity and fuel composition"
Briefly, these data files contain Fourier-transform Infrared Spectroscopy (FTIR) and machine learning data that support the results from LA-UR-25-31202. This dataset was published under LA-UR-26-24024.
54 ENVIRONMENTAL SCIENCES↗
MS25: Materials Science-Focused Benchmark Data Set for Machine Learning Interatomic Potentials
Here, we present MS25, a benchmark data set for evaluating machine learning interatomic potentials (MLIPs) across diverse materials-relevant systems including MgO surfaces, liquid water, zeolites, a catalytic Pt surface reaction, high-entropy alloys (HEAs), and disordered Zr-oxides. Five MLIP architectures (MACE, NequIP, Allegro, MTP, and Torch-ANI) are trained and tested, focusing not only on traditional metrics (energies, forces, and stresses) but also explicitly validating derived physical observables such as lattice constants, volumes, and reaction barriers. We find that most models reach comparable accuracy on standard error metrics across the simple systems, although equivariant MLIPs offer 1.5–2× improvements over nonequivariant MLIPs in energy and force error for structurally complex or compositionally disordered environments such as HEAs and Zr–O systems. Our analysis highlights that low errors in energy and force predictions do not guarantee reliable observables, emphasizing the necessity of explicit validation. We demonstrate limitations in cross-framework transferability, as models trained on one zeolite framework (CHA) fail to reliably generalize to predictions of structurally distinct frameworks (e.g., MFI). Size-extensive tests show some dependence on system size for MgO, resulting from forced periodicity. The HEA and Zr–O data sets are identified as challenging tests for future benchmarks and MLIP model architecture developments as they show significant differentiation in error between MLIP architectures and are still relatively difficult at 1000 training images. Moving forward, we recommend that benchmarking efforts shift their focus from marginal accuracy improvements in energy and force errors toward identifying and understanding model failure modes, rigorously assessing transferability, and evaluating how their errors affect observable predictions. For researchers looking to choose an MLIP architecture, we suggest selecting equivariant MLIP architectures if the complexity of the system is a challenge. For simple materials problems, auxiliary features such as integration with molecular dynamics engines, trade-offs between computational data set generation cost vs MLIP inference speed, and framework integration may play a more important decision factor than small differences in error metrics that are unlikely to matter for production-level research.
chemical structure↗
Fermilab PIP-II machine protection system digitized data noise elimination scheme and its FPGA implementation
In Fermilab's PIP-II machine protection system, beam loss signals from various detectors are digitized at 125 MS/s. Noise from both high-frequency sources and low-frequency 60 Hz AC power equipment can contaminate the data. To suppress noise across these ranges—especially 60 Hz and its harmonics, which overlap with beam loss signal frequencies—advanced digital processing beyond standard filtering is required. Several real-time functional blocks were simulated and tested on an FPGA: (1) a dual time-constant discharging integrator filter, (2) a de-ripple baseline extraction and storage block, and (3) a fast-recovery discharging integrator. The nonlinear IIR integrator filter removes high-frequency noise and feeds into the baseline extractor. Upon detecting abrupt beam loss, it switches to a longer time constant to prevent baseline distortion. The de-ripple block calculates a valid baseline by averaging over multiple 60 Hz periods, storing results in a 4096-word FPGA RAM. This baseline is subtracted from raw data before integration by the fast-recovery block, which resets quickly after use. All blocks achieved expected performance and were successfully implemented on a low-cost FPGA.
Wu, Jinyuan [Fermilab]↗
Software design and documentation language, revision 1
The Software Design and Documentation Language (SDDL) developed to provide an effective communications medium to support the design and documentation of complex software applications is described. Features of the system include: (1) a processor which can convert design specifications into an intelligible, informative machine-reproducible document; (2) a design and documentation language with forms and syntax that are simple, unrestrictive, and communicative; and (3) methodology for effective use of the language and processor. The SDDL processor is written in the SIMSCRIPT II programming language and is implemented on the UNIVAC 1108, the IBM 360/370, and Control Data machines.
Kleine, H.↗