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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2013

Semi-Supervised Eigenbasis Novelty Detection

Recent discoveries in high-time-resolution radio astronomy data have focused attention on a new class of events. Fast transients are rare pulses of radio frequency energy lasting from microseconds to seconds that might be produced by a variety of exotic astrophysical phenomena. For example, X-ray bursts, neutron stars, and active galactic nuclei are all possible sources of short-duration, transient radio signals. It is difficult to anticipate where such signals might appear, and they are most commonly discovered through analysis of high-time- resolution data that had been collected for other purposes. Transients are often faint and difficult to detect, so improved detection algorithms can directly benefit the science yield of all such commensal monitoring. A new detection algorithm learns a low-dimensional linear manifold for describing the normal data. High reconstruction error indicates a novel signal that does not match the patterns of normal data. One unsupervised portion of the manifold model adapts its representation in response to recent data. A second supervised portion of the model is made of a basis trained in advance using labeled examples of RFI; this prevents false positives due to these events. For a linear model, an orthonormalization operation is used to combine these bases prior to the anomaly detection decision. Another novel aspect of the approach lies in combining basis vectors learned in an unsupervised, online fashion from the data stream with supervised basis vectors learned in advance from known examples of false alarms. Adaptive, data-driven detection is achieved that is also informed by existing domain knowledge about signals that may be statistically anomalous, but are not interesting and should therefore be ignored. The method was evaluated using data from the Parkes Multibeam Survey. This data set was originally collected to search for pulsars, which are astronomical sources that emit radio pulses at regular periods. However, several non-pulsar anomalies have recently been discovered in this dataset, making it a compelling test case. By explicitly filtering known false alarm patterns, the approach yields significantly better performance than current transient detection methods.

Wagstaff, Kiri L.↗
DOE OSTI2026

An interactive machine learning platform for analyzing multi-particle coincidence data from cold target recoil ion momentum spectroscopy

We present SCULPT (Supervised Clustering and Uncovering Latent Patterns with Training), a comprehensive software platform for analyzing tabulated high-dimensional multi-particle coincidence data from Cold Target Recoil Ion Momentum Spectroscopy (COLTRIMS) experiments. The software addresses critical challenges in modern momentum spectroscopy by integrating advanced machine learning techniques with physics-informed analysis in an interactive web-based environment. SCULPT implements uniform manifold approximation and projection for non-linear dimensionality reduction to reveal correlations in high-dimensional data. We also discuss potential extensions to deep autoencoders for feature learning and genetic programming for automated discovery of physically meaningful observables. A novel adaptive confidence scoring system provides quantitative reliability assessments by evaluating user-selected clustering quality metrics with predefined weights that reflect each metric’s robustness. The platform features configurable molecular profiles for different experimental systems, interactive visualization with selection tools, and comprehensive data filtering capabilities. Utilizing a subset of SCULPT’s capabilities, we analyze photo-double-ionization data measured using the COLTRIMS method for three-body dissociation of the D 2 O molecule, revealing distinct fragmentation channels and their correlations with physics parameters. The software’s modular architecture and web-based implementation make it accessible to the broader atomic and molecular physics community, significantly reducing the time required for complex multi-dimensional analyses. This opens the door to finding and isolating rare events exhibiting non-linear correlations on the fly during experimental measurements, which can help steer exploration and improve the efficiency of experiments.

Artificial neural networks↗
NASA NTRS1995

Building an adaptive agent to monitor and repair the electrical power system of an orbital satellite

Over several years we have developed a multistrategy apprenticeship learning methodology for building knowledge-based systems. Recently we have developed and applied our methodology to building intelligent agents. This methodology allows a subject matter expert to build an agent in the same way in which the expert would teach a human apprentice. The expert will give the agent specific examples of problems and solutions, explanations of these solutions, or supervise the agent as it solves new problems. During such interactions, the agent learns general rules and concepts, continuously extending and improving its knowledge base. In this paper we present initial results on applying this methodology to build an intelligent adaptive agent for monitoring and repair of the electrical power system of an orbital satellite, stressing the interaction with the expert during apprenticeship learning.

Tecuci, Gheorghe↗
DOE OSTI2024

Foundation Models for the Electric Power Grid

Foundation models (FMs) currently dominate news headlines. They employ advanced deep learning architectures to extract structural information autonomously from vast datasets through self-supervision. The resulting rich representations of complex systems and dynamics can be applied to many downstream applications. Therefore, advances in FMs can find uses in electric power grids, challenged by the energy transition and climate change. This paper calls for the development of FMs for electric grids. We highlight their strengths and weaknesses amidst the challenges of a changing grid. It is argued that FMs learning from diverse grid data and topologies, which we call grid foundation models (GridFMs), could unlock transformative capabilities, pioneering a new approach to leveraging AI to redefine how we manage complexity and uncertainty in the electric grid. Finally, we discuss a practical implementation pathway and road map of a GridFM-v0, a first GridFM for power flow applications based on graph neural networks, and explore how various downstream use cases will benefit from this model and future GridFMs.

AI-based power flow simulation↗
NASA NTRSDate not supplied

Anomaly Detection in Flight Operational Data Using Deep Learning

In this session, we demonstrate two recently developed deep learning models for anomaly detection in flight operational data by the Data Sciences Group at NASA Ames Research Center. The first model is Convolutional Variational Auto-Encoder (CVAE) [1], which is an unsupervised deep encoder-decoder model, designed specifically for finding anomalies in heterogeneous multivariate time series data. We will demonstrate its application to finding anomalies in streaming data from NASA’s Digital Information Platform’s Fuser source. CVAE identifies data instances that are not representative of expected nominal behavior as anomalous. Since it is an unsupervised approach, the flagged anomalies will need to be reviewed by the subject matter experts (SMEs) for validation and labeling and is designed to assist with vulnerability discovery within Safety Monitoring System programs. The second model is Robust and Explainable Semi-supervised Anomaly Detection (RESAD) model [2], which builds on CVAE to allow learning from both minimally labeled data (previously reviewed by the SMEs) as well as majority unlabeled data. RESAD takes advantage of graph theoretic techniques to propagate the labels from the labeled data to the unlabeled data based on a pre-defined similarity metric and structures the learned feature space from flight time-series so that data of the same class would cluster tightly together. This model characteristic is enabled by training with an augmented loss function and allows learning of a more informative feature space for down-stream tasks such as search and active learning. We demonstrate RESAD using data from the NASA DASHlink project [3].

anomaly detection↗
DOE OSTI2021

GIS Resource Compilation Map Package - Applications of Machine Learning Techniques to Geothermal Play Fairway Analysis in the Great Basin Region, Nevada

This submission contains an ESRI map package (.mpk) with an embedded geodatabase for GIS resources used or derived in the Nevada Machine Learning project, meant to accompany the final report. The package includes layer descriptions, layer grouping, and symbology. Layer groups include: new/revised datasets (paleo-geothermal features, geochemistry, geophysics, heat flow, slip and dilation, potential structures, geothermal power plants, positive and negative test sites), machine learning model input grids, machine learning models (Artificial Neural Network (ANN), Extreme Learning Machine (ELM), Bayesian Neural Network (BNN), Principal Component Analysis (PCA/PCAk), Non-negative Matrix Factorization (NMF/NMFk) - supervised and unsupervised), original NV Play Fairway data and models, and NV cultural/reference data. See layer descriptions for additional metadata. Smaller GIS resource packages (by category) can be found in the related datasets section of this submission. A submission linking the full codebase for generating machine learning output models is available through the "Related Datasets" link on this page, and contains results beyond the top picks present in this compilation.

15 GEOTHERMAL ENERGY↗
DOE OSTI2022

Gradient-Based Novelty Detection Boosted by Self-Supervised Binary Classification

Novelty detection aims to automatically identify out-of-distribution (OOD) data, without any prior knowledge of them. It is a critical step in data monitoring, behavior analysis and other applications, helping enable continual learning in the field. Conventional methods of OOD detection perform multi-variate analysis on an ensemble of data or features, and usually resort to the supervision with OOD data to improve the accuracy. In reality, such supervision is impractical as one cannot anticipate the anomalous data. In this paper, we propose a novel, self-supervised approach that does not rely on any pre-defined OOD data: (1) The new method evaluates the Mahalanobis distance of the gradients between the in-distribution and OOD data. (2) It is assisted by a self-supervised binary classifier to guide the label selection to generate the gradients, and maximize the Mahalanobis distance. In the evaluation with multiple datasets, such as CIFAR-10, CIFAR-100, SVHN and TinyImageNet, the proposed approach consistently outperforms state-of-the-art supervised and unsupervised methods in the area under the receiver operating characteristic (AUROC) and area under the precision-recall curve (AUPR) metrics. We further demonstrate that this detector is able to accurately learn one OOD class in continual learning.

Sun, Jingbo↗
DOE OSTI2022

Evaluating the Impact of Proprietary Oil & Gas Data on Machine Learning Model Performance Using a Quasi-Experimental Analytical Approach

This study implements a data-intensive supervised ML approach through a quasi-experimental framework with the objective of quantifying the impact of oil and gas operator-specific proprietary data on ML-based predictive model performance relative to using oil and gas datasets that may be more commonly publicly available. The models are designed to jointly predict daily oil, gas, and water production for horizontal wells as a function of bottom-hole pressure drawdown, spatial placement across the study domain, and well completion attributes. Model performance is quantified on holdout test data to evaluate how each dataset affects resulting model variant performance.

02 PETROLEUM↗
DOE OSTI2023

Towards deep computer vision for in-line defect detection in polymer electrolyte membrane fuel cell materials

Polymer Electrolyte Membrane (PEM) fuel cells are a promising source of alternative energy. However, their production is limited by a lack of well-established methods for quality control of their constituent materials like the membrane-electrode assembly during roll-to-roll manufacturing. One potential solution is the implementation of deep learning methods to detect unwanted defects through their detection in scanned images. Here we explore the detection of defects like scratches, pinholes, and scuffs in a sample dataset of PEM optical images using two deep learning algorithms: Patch Distribution Modeling (PaDiM) for unsupervised anomaly detection and Faster-RCNN for supervised object detection. Both methods achieve scores on performance metrics (ROC-AUC and PRO-AUC for PaDiM and AP for Faster-RCNN) that are comparable to their scores on benchmark datasets. These methods also have the potential to detect a wider range of defects compared to IR thermography and previous optical inspection methods. Overall, deep learning shows promise at detecting relevant defects of interest and has the potential to achieve real-time defect detection.

30 DIRECT ENERGY CONVERSION↗
NASA NTRS2019

Application of High-Dimensional Fuzzy K-Means Cluster Analysis to CALIOP/CALIPSO Version 4.1 Cloud-Aerosol Discrimination

This study applies fuzzy k-means (FKM) cluster analyses to a subset of the parameters reported in the CALIPSO lidar level 2 data products in order to classify the layers detected as either clouds or aerosols. The results obtained are used to assess the reliability of the cloud–aerosol discrimination (CAD) scores reported in the version 4.1 release of the CALIPSO data products. FKM is an unsupervised learning algorithm, whereas the CALIPSO operational CAD algorithm (COCA) takes a highly supervised approach. Despite these substantial computational and architectural differences, our statistical analyses show that the FKM classifications agree with the COCA classifications for more than 94 % of the cases in the troposphere. This high degree of similarity is achieved because the lidar-measured signatures of the majority of the clouds and the aerosols are naturally distinct, and hence objective methods can independently and effectively separate the two classes in most cases. Classification differences most often occur in complex scenes (e.g., evaporating water cloud filaments embedded in dense aerosol) or when observing diffuse features that occur only intermittently (e.g., volcanic ash in the tropical tropopause layer). The two methods examined in this study establish overall classification correctness boundaries due to their differing algorithm uncertainties. In addition to comparing the outputs from the two algorithms, analysis of sampling, data training, performance measurements, fuzzy linear discriminants, defuzzification, error propagation, and key parameters in feature type discrimination with the FKM method are further discussed in order to better understand the utility and limits of the application of clustering algorithms to space lidar measurements. In general, we find that both FKM and COCA classification uncertainties are only minimally affected by noise in the CALIPSO measurements, though both algorithms can be challenged by especially complex scenes containing mixtures of discrete layer types. Our analysis results show that attenuated backscatter and color ratio are the driving factors that separate water clouds from aerosols; backscatter intensity, depolarization, and mid-layer altitude are most useful in discriminating between aerosols and ice clouds; and the joint distribution of backscatter intensity and depolarization ratio is critically important for distinguishing ice clouds from water clouds.

Zeng, Shan↗
DOE OSTI2025

Weakly supervised anomaly detection for resonant new physics in the dijet final state using proton-proton collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

An anomaly detection search for narrow-width resonances beyond the Standard Model that decay into a pair of jets is presented. The search is based on 139 fb −1 of proton-proton collisions at $\sqrt{s}$ = 13 TeV recorded during 2015–2018 with the ATLAS detector at the Large Hadron Collider. The analysis is optimized without a particular signal model and aims to be sensitive to a broad range of new physics. It uses two different machine learning strategies to estimate the background in different signal regions. In each region, a weakly supervised classifier is trained to distinguish this background model from data. The analysis focuses on events with high transverse momentum jets reconstructed as large-radius jets. The mass and substructure of these jets are used as inputs to the classifiers. After a classifier-based selection, the distribution of the invariant mass of the two jets is used to search for potential local excesses. The model-independent results of both the anomaly detection methods show no signs of significant local excesses. In addition to model-independent results, a representative set of signal models is injected into the data, and the sensitivity of the methods to these scenarios is reported.

Aad, G. [Aix-Marseille Université] (ORCID:00000002↗
DOE OSTI2020

Clustering earthquake signals and background noises in continuous seismic data with unsupervised deep learning

The continuously growing amount of seismic data collected worldwide is outpacing our abilities for analysis, since to date, such datasets have been analyzed in a human-expert intensive, supervised fashion. Moreover, analyses that are conducted can be strongly biased by the standard models employed by seismologists. In response to both of these challenges, we develop a new unsupervised machine learning framework for detecting and clustering seismic signals in continuous seismic records. Our approach combines a deep scattering network and a Gaussian mixture model to cluster seismic signal segments and detect novel structures. To illustrate the power of the framework, we analyze seismic data acquired during the June 2017 Nuugaatsiaq, Greenland landslide. We demonstrate the blind detection and recovery of the repeating precursory seismicity that was recorded before the main landslide rupture, which suggests that our approach could lead to more informative forecasting of the seismic activity in seismogenic areas.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Improved Architectures and Training Algorithms for Deep Operator Networks

Operator learning techniques have recently emerged as a powerful tool for learning maps between infinite-dimensional Banach spaces. Trained under appropriate constraints, they can also be effective in learning the solution operator of partial differential equations (PDEs) in an entirely self-supervised manner. In this work we analyze the training dynamics of deep operator networks (DeepONets) through the lens of Neural Tangent Kernel theory, and reveal a bias that favors the approximation of functions with larger magnitudes. To correct this bias we propose to adaptively re-weight the importance of each training example, and demonstrate how this procedure can effectively balance the magnitude of back-propagated gradients during training via gradient descent. We also propose a novel network architecture that is more resilient to vanishing gradient pathologies. Taken together, our developments provide new insights into the training of DeepONets and consistently improve their predictive accuracy by a factor of 10-50x, demonstrated in the challenging setting of learning PDE solution operators in the absence of paired input-output observations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Exploratory analysis of machine learning techniques in the Nevada geothermal play fairway analysis

Play fairway analysis (PFA) is commonly used to generate geothermal potential maps and guide exploration studies, with a particular focus on locating and characterizing blind geothermal systems. This study evaluates the application of machine learning techniques to PFA in the Great Basin region of Nevada. Following the evaluation of various techniques, we identified two approaches to PFA that produced promising results, 1) supervised Bayesian probabilistic neural networks to generate geothermal potential maps with confidence intervals, and 2) unsupervised principal component analysis paired with k-means clustering to generate both cluster maps to help identify spatial patterns, as well as new combined feature inputs. We applied these techniques to perform a comparative analysis between two principal sets of geological and geophysical features related to permeability and heat and a set of positive (known geothermal resources) and negative training sites (known drill sites with unsuitable geothermal conditions). We found that these methods constrain previously unrecognized feature controls on geothermal favorability, many of which are spatially organized within the extent of cluster groups and the major structural-hydrologic domains of the study area. Furthermore, we utilized exploratory unsupervised modeling to highlight spatial relationships between input data and predictive output results of our supervised modeling. As a result, we demonstrate how our models compare to the previous Nevada PFA and how the rapid insights these machine learning techniques offer may support future assessments of both known and undiscovered blind geothermal systems in the Great Basin region of Nevada and beyond.

15 GEOTHERMAL ENERGY↗
NASA NTRSDate not supplied

Image-to-Image Wildfire Detection via Quantum-Compatible Variational Segmentation from Remotely-sensed Data

Over the last decade, the incidence of wildfires has surged, causing widespread destruction globally. To better comprehend and manage these incidents, remote sensing and aerial missions have been implemented in recent efforts. However, this has resulted in an exponential rise in the amount of remote sensing data utilization, leading to a need for intelligent automation of data extraction in wildfire studies. Machine learning provides an accurate automated approach for detecting these natural anomalies and facilitates decision-makers to take prompt actions. To make insightful decisions in wildfire management, it is imperative to move beyond simple detection and explore the potential of probabilistic generative machine learning for creating "what-if" scenarios for various wildfire conditions. Such models offer improved representation of the stochastic nature of wildfire events. However, the optimization of these models can be computationally expensive, especially when using classical computers. Quantum computers have recently emerged as a promising solution to reduce the computational cost of training such models and improve their performance. In this study, we aim to utilize quantum-compatible machine learning techniques to implement our probabilistic generative approach. To that end, we propose a supervised probabilistic variational model consisting of a U-NET-based image-to-image component along with encoder and decoder networks which work as a variational autoencoder (VAE) component. Additionally, we explore the type of latent distribution type in the VAE component and implement different means for modeling the prior distribution. We further investigate the quantum-compatible versions of the model compared to the classical counterpart and benchmark potential benefits of quantum compatibility over the classical model.

quantum machine learning↗
DOE OSTI2021

Deep graph representations embed network information for robust disease marker identification

We report that the accurate disease diagnosis and prognosis based on omics data rely on the effective identification of robust prognostic and diagnostic markers that reflect the states of the biological processes underlying the disease pathogenesis and progression. In this article, we present GCNCC, a Graph Convolutional Network-based approach for Clustering and Classification, that can identify highly effective and robust network-based disease markers. Based on a geometric deep learning framework, GCNCC learns deep network representations by integrating gene expression data with protein interaction data to identify highly reproducible markers with consistently accurate prediction performance across independent datasets possibly from different platforms. GCNCC identifies these markers by clustering the nodes in the protein interaction network based on latent similarity measures learned by the deep architecture of a graph convolutional network, followed by a supervised feature selection procedure that extracts clusters that are highly predictive of the disease state. By benchmarking GCNCC based on independent datasets from different diseases (psychiatric disorder and cancer) and different platforms (microarray and RNA-seq), we show that GCNCC outperforms other state-of-the-art methods in terms of accuracy and reproducibility.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Augmenting Graph Convolution with Distance Preserving Embedding for Improved Learning

Graph convolution incorporates topological information of a graph into learning. Message passing corresponds to traversal of a local neighborhood in classical graph algorithms. We show that incorporating additional global structures, such as shortest paths, through distance preserving embedding can improve performance. Our approach, Gavotte, significantly improves the performance of a range of popular graph neu-ral networks such as GCN, GA T,Graph SAGE, and GCNII for transductive learning. Gavotte also improves the performance of graph neural networks for full-supervised tasks, albeit to a smaller degree. As high-quality embeddings are generated by Gavotte as a by-product, we leverage clustering algorithms on these embed dings to augment the training set and introduce Gavotte+. Our results of Gavotte+ on datasets with very few labels demonstrate the advantage of augmenting graph convolution with distance preserving embedding.

Cong, Guojing↗
DOE OSTI2023

Quantum anomaly detection for collider physics

We explore the use of Quantum Machine Learning (QML) for anomaly detection at the Large Hadron Collider (LHC). In particular, we explore a semi-supervised approach in the four-lepton final state where simulations are reliable enough for a direct background prediction. This is a representative task where classification needs to be performed using small training datasets - a regime that has been suggested for a quantum advantage. We find that Classical Machine Learning (CML) benchmarks outperform standard QML algorithms and are able to automatically identify the presence of anomalous events injected into otherwise background-only datasets.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗