Towards AI-Ready Data in Heliophysics and Machine Learning-Driven Forecasts of Solar Transient Events
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SMD↗
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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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Quantum Leap: Evaluating the Feasibility of Quantum Machine Learning Using NASA Earth Observational Data
This study explores the feasibility of leveraging quantum machine learning (QML) to analyze NASA Earth Observational (EO) data for climate change research, with a particular focus on the phenomenon of ”crop frosting” which has become more prevalent due to climate change. We implemented and evaluated two QML models, the Variational Quantum Classifier (VQC) and Quantum Support Vector Classifier (QSVC), in both simulated and real quantum computing environments using a 127 qubit IBM quantum processor. Our study emphasizes the scientific rigor in comparing these quantum models with a classical Support Vector Machine (SVM) classifier, highlighting their performance in processing climate data. The results offer valuable insights into the potential scientific advantages, limitations, and scalability of QML for analyzing EO datasets, thus paving the way for more advanced climate modeling and predictive analytics using quantum computing. We showcased how Environmental Interaction Knowledge Graphs (EIKGs) and Digital Twins (DTs) can be integrated into this study. This research underscores the transformative potential of Classical and QML leveraging KGs and DT to address the multifaceted challenges posed by climate change.
Quantum Computing↗
RC-SFA Data Management Templates and Guidance for Standardized, Reusable AI-Ready Data Packages
This data package provides templates and supporting documentation developed by the River Corridor Science Focus Area (RC-SFA; https://www.pnnl.gov/projects/river-corridor) to communicate its approach to managing and publishing AI-ready data. The package is intended to help data users and data producers understand the structures, metadata practices, and quality-control approaches that support consistent, reusable, and machine-actionable data products across RC-SFA studies. Rather than focusing on a single experimental dataset, this package documents the data management framework used to make RC-SFA data easier to find, ingest, navigate, and interpret. The materials in this package reflect RC-SFA practices for standardized data package organization, including the use of a human- and machine-readable README, file-level metadata, data dictionaries, descriptive file naming, method identifiers, and automated and review-based quality assurance procedures. Together, these components illustrate how RC-SFA extends FAIR data principles toward AI-readiness by prioritizing deep metadata, consistency across data packages, and support for informed downstream reuse by both humans and computational tools. This dataset is comprised of (1) readme; (2) presentation slides with an overview of RC-SFA approach and guidance; (3) document of RC-SFA best practices; (4) data dictionary (dd); (5) file level metadata (flmd); and a subfolder containing templates for dd and flmd. All files are .csv and .pdf. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About.
AI-readiness↗
Multi-Level Structural Damage Characterization Using Sparse Acoustic Sensor Networks and Knowledge Transferred Deep Learning
Standard structural health monitoring techniques face well-known difficulties for comprehensive defect diagnosis in real-world structures that have structural, material, or geometric complexity. This motivates the exploration of machine-learning-based structural health monitoring methods in complex structures. However, creating sufficient training data sets with various defects is an ongoing challenge for data-driven machine (deep) learning algorithms. The ability to transfer the knowledge of a trained neural network from one component to another or to other sections of the same component would drastically reduce the required training data set. Also, it would facilitate computationally inexpensive machine learning based inspection systems. In this work, a machine-learning-based multi-level damage characterization is demonstrated with the ability to transfer trained knowledge within the sparse sensor network. A novel network spatial assistance and an adaptive convolution technique are proposed for efficient knowledge transfer within the deep learning algorithm. Proposed structural health monitoring method is experimentally evaluated on an aluminum plate with artificially induced defects. It was observed that the method improves the performance of knowledge transferred damage characterization by 50% during localization and 24% during severity assessment. Further, experiments using time windows with and without multiple edge reflections are studied. Results reveal that multiply scattered waves contain rich and deterministic defect signatures that can be mined using deep learning neural networks, improving the accuracy of both identification and quantification. In the case of a fixed sensor network, using multiply scattered waves shows 100% prediction accuracy at all levels of damage characterization.
36 MATERIALS SCIENCE↗
Machine processing of remotely sensed data; Proceedings of the Fifth Annual Symposium, Purdue University, West Lafayette, Ind., June 27-29, 1979
Papers are presented on techniques and applications for the machine processing of remotely sensed data. Specific topics include the Landsat-D mission and thematic mapper, data preprocessing to account for atmospheric and solar illumination effects, sampling in crop area estimation, the LACIE program, the assessment of revegetation on surface mine land using color infrared aerial photography, the identification of surface-disturbed features through a nonparametric analysis of Landsat MSS data, the extraction of soil data in vegetated areas, and the transfer of remote sensing computer technology to developing nations. Attention is also given to the classification of multispectral remote sensing data using context, the use of guided clustering techniques for Landsat data analysis in forest land cover mapping, crop classification using an interactive color display, and future trends in image processing software and hardware.
Tendam, I. M.↗
OmicsMLMentor: A Web Application for Guided Machine Learning Analysis of Omics Data
Expression-based omics technologies (e.g. proteomics, metabolomics, transcriptomics, etc.) increasingly rely on supervised and unsupervised machine learning (ML) models to find key biomolecules distinguishing conditions, identify natural groupings in biological data, or generate predictions for outcomes of interest. Fitting ML models to omics data presents several challenges, including handling missing data, selecting a normalization method, choosing a valid model, and optimizing hyperparameters, all requiring statistical programming skills to address these challenges. Thus, the open-source web application SLOPE was designed to lower the barrier to ML modeling for omics data. SLOPE supports the fitting of 15 ML models (10 supervised and 5 unsupervised) tailored to omics datasets, such as proteomics, metabolomics, lipidomics, and transcriptomics. SLOPE offers several omics-specific features, including methods for handling missingness (imputation, conversion, removal), normalization tests, ranking of models based on the structure of a user’s data and user input, and optimal hyperparameter selections using cross-validation splits. By streamlining ML workflows for omics analysis, SLOPE address critical gaps in existing online web tools, facilitating a broader adoption of these models for omics research. Here, SLOPE is applied to data from a lignin exposure study to highlight the workflow for fitting both supervised and unsupervised models to data.
lipidomics↗
Replication Data for: High-field magnetic phase diagrams of RMn6Sn6 kagome metals
ASCII and machine readable data from the publication: High-field magnetic phase diagrams of RMn6Sn6 kagome metals
McQueeney, Robert [Ames National Laboratory; Ames ↗
Conjugate point determination for multitemporal data overlay
The machine processing is discussed of spatially variant multitemporal data such as imagery obtained at different times which requires that these data be in geometrical registration so that the analysis processor may obtain the datum for a specified ground resolution element in each of the sets of imagery being utilized for analysis. Misregistration between corresponding subsets of imagery contains both a displacement and a geometrical distortion component. Search techniques utilizing the moduli of the Fourier Transforms are developed for estimating the coefficients of geometrical distortion components of this model. Following the correction of these distortion components, the displacement is located by the crosscorrelation of a template obtained from one set of data, termed the reference, with the second, or background data. This template, derived for the optimum discrimination of the reference data embedded in the background, is determined by the solution of a system of equations involving the reference data and the covariance matrix of these data.
Emmert, R. A.↗
Communication Studies of DMP and SMP Machines
Understanding the interplay between machines and problems is key to obtaining high performance on parallel machines. This paper investigates the interplay between programming paradigms and communication capabilities of parallel machines. In particular, we explicate the communication capabilities of the IBM SP-2 distributed-memory multiprocessor and the SGI PowerCHALLENGEarray symmetric multiprocessor. Two benchmark problems of bitonic sorting and Fast Fourier Transform are selected for experiments. Communication-efficient algorithms are developed to exploit the overlapping capabilities of the machines. Programs are written in Message-Passing Interface for portability and identical codes are used for both machines. Various data sizes and message sizes are used to test the machines' communication capabilities. Experimental results indicate that the communication performance of the multiprocessors are consistent with the size of messages. The SP-2 is sensitive to message size but yields a much higher communication overlapping because of the communication co-processor. The PowerCHALLENGEarray is not highly sensitive to message size and yields a low communication overlapping. Bitonic sorting yields lower performance compared to FFT due to a smaller computation-to-communication ratio.
Sohn, Andrew↗
Machine-Learned Committor Functions for Reactive Molecular Dynamics
Reactive molecular dynamics (MD) is a powerful tool for atomistic-scale modeling of a diverse range of chemical processes. However, scaling these simulations to large systems and long times scales remains a challenge because of the complexity of the potential energy function required. The authors previously developed a heuristic approach, called REACTER, that incorporates reactivity in MD simulations in a less general but much more computationally efficient manner. REACTER uses standard, fixed valence force fields as the underlying potentialenergy surface for describing all interatomic interactions but adds a procedure for enforcing user-defined reactions that occur when certain geometric constraints on relative atomic positions are satisfied. Further, these bonding changes can be accepted or rejected with a probability related tothe local thermal energy. This work seeks to generalize this approach by replacing the set of user defined geometric constraints and energetic criteria with a committor function that specifies the probability of a reaction occurring on the basis of the local atomic configuration. The committor function is a useful mathematical tool for modeling rare events but, unfortunately, is very difficult to compute for realistic systems in a general way. This work describes a method for approximating the committor function using a machine learning approach, specifically a deep neural network trained with data from reactive MD and DFT-based dynamics simulations. This network is coupled to the existing REACTER protocol, as implemented in the LAMMPS MD package, and used to make on-the-fly predictions of reaction probabilities without the more extensive user input previously required. The new method is demonstrated using the polymerization of polystyrene as a case study. Although very dependent on the quality and quantity of training data, machine-learned committor functions show promise as a method for incorporating reaction probability from higher level calculations into highly scalable MD simulations.
polymer simulations↗
Machine processing of remotely sensed data; Proceedings of the Conference, Purdue University, West Lafayette, Ind., October 16-18, 1973
Topics discussed include the management and processing of earth resources information, special-purpose processors for the machine processing of remotely sensed data, digital image registration by a mathematical programming technique, the use of remote-sensor data in land classification (in particular, the use of ERTS-1 multispectral scanning data), the use of remote-sensor data in geometrical transformations and mapping, earth resource measurement with the aid of ERTS-1 multispectral scanning data, the use of remote-sensor data in the classification of turbidity levels in coastal zones and in the identification of ecological anomalies, the problem of feature selection and the classification of objects in multispectral images, the estimation of proportions of certain categories of objects, and a number of special systems and techniques. Individual items are announced in this issue.
Source record↗
Towards a program of record of inland water quality: Exploiting present and heritage multispectral sensors for maximum information extraction
Degradation of Earth’s inland water resources due to anthropogenic perturbations and climate anomalies at both local and global scales continues to place human health at substantial risk. There is now a growing necessity to develop pragmatic approaches that allow timely and effective extrapolation of local processes, to spatially resolved global products, and to promote operational and sustainable resource policy management. This research exploits recent advancements in bio-optical modeling, cloud computing, and machine learning to enhance our capacity to leverage present and heritage satellite data. Recent research suggests that sensors with low spectral resolution, such as Sentinel 2 and Landsat missions, contain enough hidden spectral variation which can be exploited using data-driven approaches. The availability of three decades of archival imagery will open doors to discover global trends of eutrophication and increased cyanobacteria dominance and provide valuable insight to the development of predictive methodologies. Preliminary efforts in synthetic emulation of global natural inland waters will be discussed and contextualized against satellite radiometric measurement uncertainty, satellite data product uncertainties and causal signal ambiguity over the visible wavelength range, supported by high quality field and image data for selected inland aquatic sites. Insights on water quality estimation via data-driven machine learning models versus matrix inversions will be discussed, and how we can exploit spectral-spatial relationships in high spatial resolution data. A cross-sensor synergistic approach with detailed uncertainty analysis based on optical water types, will allow for unprecedented global snapshots of fine scale ecological dynamics of inland waters.
Inland↗
Advancing NASA SatCORPS Global Data Products with Cloud Computing and Machine Learning
Operational satellite imager radiances are valuable for deriving many different physical parameters that can be used for a variety of weather, aviation, and energy applications. The NASA Satellite ClOud and Radiation Property retrieval System (SatCORPS) applies a suite of algorithms to meteorological satellite data to provide cloud properties, radiative fluxes and other parameters on a global scale. The use of cloud computing has enabled recent enhancements to process a constellation of geostationary satellites at higher spatiotemporal resolutions than previously possible that meet low latency and near real-time needs. Data taken from Meteosat-8 and -11, Himawari, GOES-16, and -17 are processed and combined with operational polar orbiting satellite data and composited on a 3-km grid to provide global coverage. To improve the utility of the data products, machine learning and other innovative methods are applied in various ways to help minimize data product uncertainties under the most challenging conditions and to improve their consistency at all times of day. An update on recent SatCORPS enhancements is presented, highlighting the community benefits achieved with the use of cloud computing and machine learning.
William L Smith↗
Concurrent Image Processing Executive (CIPE). Volume 1: Design overview
The design and implementation of a Concurrent Image Processing Executive (CIPE), which is intended to become the support system software for a prototype high performance science analysis workstation are described. The target machine for this software is a JPL/Caltech Mark 3fp Hypercube hosted by either a MASSCOMP 5600 or a Sun-3, Sun-4 workstation; however, the design will accommodate other concurrent machines of similar architecture, i.e., local memory, multiple-instruction-multiple-data (MIMD) machines. The CIPE system provides both a multimode user interface and an applications programmer interface, and has been designed around four loosely coupled modules: user interface, host-resident executive, hypercube-resident executive, and application functions. The loose coupling between modules allows modification of a particular module without significantly affecting the other modules in the system. In order to enhance hypercube memory utilization and to allow expansion of image processing capabilities, a specialized program management method, incremental loading, was devised. To minimize data transfer between host and hypercube, a data management method which distributes, redistributes, and tracks data set information was implemented. The data management also allows data sharing among application programs. The CIPE software architecture provides a flexible environment for scientific analysis of complex remote sensing image data, such as planetary data and imaging spectrometry, utilizing state-of-the-art concurrent computation capabilities.
Lee, Meemong↗
Concurrent Image Processing Executive (CIPE)
The design and implementation of a Concurrent Image Processing Executive (CIPE), which is intended to become the support system software for a prototype high performance science analysis workstation are discussed. The target machine for this software is a JPL/Caltech Mark IIIfp Hypercube hosted by either a MASSCOMP 5600 or a Sun-3, Sun-4 workstation; however, the design will accommodate other concurrent machines of similar architecture, i.e., local memory, multiple-instruction-multiple-data (MIMD) machines. The CIPE system provides both a multimode user interface and an applications programmer interface, and has been designed around four loosely coupled modules; (1) user interface, (2) host-resident executive, (3) hypercube-resident executive, and (4) application functions. The loose coupling between modules allows modification of a particular module without significantly affecting the other modules in the system. In order to enhance hypercube memory utilization and to allow expansion of image processing capabilities, a specialized program management method, incremental loading, was devised. To minimize data transfer between host and hypercube a data management method which distributes, redistributes, and tracks data set information was implemented.
Lee, Meemong↗
Progressive transfer learning for advancing machine learning-based reduced-order modeling
Abstract To maximize knowledge transfer and improve the data requirement for data-driven machine learning (ML) modeling, a progressive transfer learning for reduced-order modeling (p-ROM) framework is proposed. A key concept of p-ROM is to selectively transfer knowledge from previously trained ML models and effectively develop a new ML model(s) for unseen tasks by optimizing information gates in hidden layers. The p-ROM framework is designed to work with any type of data-driven ROMs. For demonstration purposes, we evaluate the p-ROM with specific Barlow Twins ROMs (p-BT-ROMs) to highlight how progress learning can apply to multiple topological and physical problems with an emphasis on a small training set regime. The proposed p-BT-ROM framework has been tested using multiple examples, including transport, flow, and solid mechanics, to illustrate the importance of progressive knowledge transfer and its impact on model accuracy with reduced training samples. In both similar and different topologies, p-BT-ROM achieves improved model accuracy with much less training data. For instance, p-BT-ROM with four-parent (i.e., pre-trained models) outperforms the no-parent counterpart trained on data nine times larger. The p-ROM framework is poised to significantly enhance the capabilities of ML-based ROM approaches for scientific and engineering applications by mitigating data scarcity through progressively transferring knowledge.
97 MATHEMATICS AND COMPUTING↗
Detecting Abnormal Machine Characteristics in Cloud Infrastructures
In the cloud computing environment resources are accessed as services rather than as a product. Monitoring this system for performance is crucial because of typical pay-peruse packages bought by the users for their jobs. With the huge number of machines currently in the cloud system, it is often extremely difficult for system administrators to keep track of all machines using distributed monitoring programs such as Ganglia1 which lacks system health assessment and summarization capabilities. To overcome this problem, we propose a technique for automated anomaly detection using machine performance data in the cloud. Our algorithm is entirely distributed and runs locally on each computing machine on the cloud in order to rank the machines in order of their anomalous behavior for given jobs. There is no need to centralize any of the performance data for the analysis and at the end of the analysis, our algorithm generates error reports, thereby allowing the system administrators to take corrective actions. Experiments performed on real data sets collected for different jobs validate the fact that our algorithm has a low overhead for tracking anomalous machines in a cloud infrastructure.
Bhaduri, Kanishka↗