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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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At least 109 records · Page 6

Seismic signal augmentation to improve generalization of deep neural networks

Deep learning has emerged as an effective approach for seismic data processing in general, and for earthquake monitoring in particular. The ability of deep learning models to generalize beyond the training and validation data is important for comprehensive earthquake monitoring; this ability furthermore depends on the availability of a sufficiently large and complete training dataset. However, this requirement can prove challenging to meet due to significant effort and time for data collection and labeling. Data augmentation provides an efficient and effective approach for increasing the dimension of training samples and improving generalization to unseen samples. In this paper, we present augmentation methods appropriate for seismic waveforms and demonstrate their ability to reduce bias and increase performance. Furthermore, these augmentation methods can be applied to a wide range of deep learning applications designed for seismic data.

58 GEOSCIENCES↗

Comparison of model and flight test data for an augmented jet flap STOL research aircraft

Aerodynamic design data for the Augmented Jet Flap STOL Research Aircraft or commonly known as the Augmentor-Wing Jet-STOL Research Aircraft was based on results of tests carried out on a large scale research model in the NASA Ames 40- by 80-Foot Wind Tunnel. Since the model differs in some respects from the aircraft, precise correlation between tunnel and flight test is not expected, however the major areas of confidence derived from the wind tunnel tests are delineated, and for the most part, tunnel results compare favorably with flight experience. In some areas the model tests were known to be nonrepresentative so that a degree of uncertainty remained: these areas of greater uncertainty are identified, and discussed in the light of subsequent flight tests.

Cook, W. L.↗

Demonstration of background rejection using deep convolutional neural networks in the NEXT experiment

Convolutional neural networks (CNNs) are widely used state-of-the-art computer vision tools that are becoming increasingly popular in high-energy physics. In this paper, we attempt to understand the potential of CNNs for event classification in the NEXT experiment, which will search for neutrinoless double-beta decay in $^{136}$Xe. To do so, we demonstrate the usage of CNNs for the identification of electron-positron pair production events, which exhibit a topology similar to that of a neutrinoless double-beta decay event. These events were produced in the NEXT-White high-pressure xenon TPC using 2.6 MeV gamma rays from a $^{228}$Th calibration source. We train a network on Monte Carlo-simulated events and show that, by applying on-the-fly data augmentation, the network can be made robust against differences between simulation and data. The use of CNNs offers significant improvement in signal efficiency and background rejection when compared to previous non-CNN-based analyses.[graphic not available: see fulltext]

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

HST WFC3 Early Release Science: Emission-Line Galaxies from IR Grism Observations

We present grism spectra of emission line galaxies (ELGs) from 0.6-1.6 microns from the Wide Field Camera 3 (WFC3) on the Hubble Space Telescope (HST). These new infrared grism data augment previous optical Advanced Camera for Surveys G800L (0.6-0.95 micron) grism data in GOODS South, extending the wavelength coverage well past the G800L red cutoff. The ERS grism field was observed at a depth of 2 orbits per grism, yielding spectra of hundreds of faint objects, a subset of which are presented here. ELGs are studied via the Ha, [O III ], and [OII] emission lines detected in the redshift ranges 0.2 less than or equal to z less than or equal to 1.6, 1.2 less than or equal to z less than or equal to 2.4 and 2.0 less than or equal to z less than or equal to 3.6 respectively in the G102 (0.8-1.1 microns; R approximately 210) and C141 (1.1-1.6 microns; R approximately 130) grisms. The higher spectral resolution afforded by the WFC3 grisms also reveals emission lines not detectable with the G800L grism (e.g., [S II] and [S III] lines). From these relatively shallow observations, line luminosities, star formation rates, and grism spectroscopic redshifts are determined for a total of 25 ELGs to M(sub AB)(F098M) approximately 25 mag. The faintest source in our sample with a strong but unidentified emission line--is MAB(F098M)=26.9 mag. We also detect the expected trend of lower specific star formation rates for the highest mass galaxies in the sample, indicative of downsizing and discovered previously from large surveys. These results demonstrate the remarkable efficiency and capability of the WFC3 NIR grisms for measuring galaxy properties to faint magnitudes.

Straughn, A. N.↗

CIF Report - Information Fusion and Data Analytics for Human Lunar Exploration

This project leverages the Concept Exploration Laboratory (CEL) to collect, warehouse, and augment data relevant to human lunar exploration as a platform for NA (S&MA) to develop operational data integration techniques. The project capitalizes on 16+ years of CEL experience applied to NASA, DoD, the City of Houston, the State of Texas, and private industry. The integrated data will be utilized in the two scenarios described in a definition of concept for development of a full scale data analysis suite and storage solution, useful to all JSC organizations engaged in real time operations and safety tasks, and may be useful as pathfinders for the Digital Transformation Program.

information fusion↗

Describing Point Defect Topology in 2D Energy Materials Through Computer Vision

Point defects such as vacancies and impurity atoms strongly impact the performance of 2D materials. Traditional efforts often rely on manual detection, a process that is time-intensive, prone to human error, and challenging to scale. Here we leverage machine learning (ML) methods to identify and quantify vacancies within 2D transition metal carbides (Ti3C2, MXenes), aiming to expedite detection while improving accuracy. MXenes exhibit valuable defect-defined electrochemical properties, but we currently lack statistical understanding of defect topology needed to fully harness these materials. Here we employ a convolutional neural network for semantic segmentation of experimental MXene images, opening an opportunity to conduct a rigorous statistical study on defect hierarchy while investigating local relaxation in the lattice. We show how the integration of ML can yield fundamental insight into point defects, providing a powerful tool that will play an increasingly crucial role in the future of materials science. ML is often not just a matter of straightforward application, and pretrained models proved ineffective in this case. Instead, we trained our own neural network (NN) and applied data augmentation techniques and fine-tuning to the training dataset. Since labeled microscopy data is often scarce, we developed training data from a previously published wide-frame MXene image, using customized Gaussian fitting to locate atomic positions. Our trained model was then applied to a large dataset of experimental images, enabling a statistical study of defect configurations across three samples prepared with different HF etchant concentrations (5%, 9.1%, and 12.5%), as shown in Fig. 1. This also allowed us to investigate local strain around vacancies, though we find that we are limited by the precision of measurements using high-angle annular dark field (HAADF) images, as shown in Fig. 2. This study demonstrates how ML enables large-scale, quantitative analysis of atomic defects - an otherwise infeasible task with traditional methods. While our NN was specialized for Ti3C2 MXenes, the pipeline we developed provides a foundation for future ML models tailored to other materials. Ultimately, we envision embedding the NN onto the microscope to give real-time feedback to the user. To make this a reality, continued work is necessary to fully understand the NN's capabilities and limitations. This study gets one step closer to our goals of automated experimentation moving away from traditional methods of manual labeling. As ML capabilities advance, we hope to continue adapting and applying these techniques in microscopy.

2D materials↗

Deep Learning for Intelligent Bubble Size Detection in the Spallation Neutron Source Visual Target

The Spallation Neutron Source (SNS) at Oak Ridge National Laboratory (ORNL) will undergo proton power upgrade (PPU), increasing the proton beam power from 1.4 MW to 2.8 MW. From 2.8 MW, 2.0 MW will go to the current First Target Station and the rest will go to the future Second Target Station (STS). The First Target Station uses a liquid mercury target that is contained in a 316L stainless steel vessel. The proton beam is pulsed at 60 Hz, with a pulse of about 0.7μs. When the proton beam hits the target, the intense energy deposition leads to a rapid rise in temperature in the mercury. This temperature rise creates pressure waves that propagate through the mercury and cause cavitation erosion. The power upgrade will cause stronger pressure waves that will further increase damage because of cavitation. Injecting small helium bubbles in the mercury has been an efficient method of mitigating the pressure wave at 1.4 MW. However, at higher power, additional mitigation is necessary. Therefore, the 2 MW target vessel will be equipped with swirl bubblers and an additional gas injection port near the nose to inject more gas in the target. To develop a gas injection strategy and design, flow visualization in water with a transparent prototypical target (“visual target”) was performed. Bubble sizes and their spatial distribution in the flow loop are crucial to understanding the effectiveness of the bubbles in mitigating pressure waves. Bubbles were generated in the visual target under varied conditions of input pressures with helium and air. Images were captured using a high-speed camera at varied frame rates at different positions away from the swirl bubbler and different depths in the flow loop under varying lighting conditions. Initially, methods such as circular Hough transforms were applied after a series of images processing to obtain a general distribution of bubble sizes. Bubbles smaller than 500 μm are preferred to effectively mitigate the effect of pressure waves, which demands an accurate bubble detection and sizing system. Intelligent detection and identification of bubble sizes alleviate misdetection and improves accuracies. Employing neural networks, intelligent detection of bubble sizes and their distribution was developed and provides a robust alternative to traditional techniques. Human intervention was employed to label in-focus and out-of-focus bubbles in the set of training images. An object detection network using a pretrained convolutional neural network was created that extracted the features from the training images. Data augmentation was used to improve network accuracy through a random transformation of the original data.

Rasheed, Fayaz↗

Large Scale Caching and Streaming of Training Data for Online Deep Learning

The training of deep neural network models on large data remains a difficult problem, despite progress towards scalable techniques. In particular, there is a mismatch between the random but predetermined order in which AI flows select training samples and the streaming I/O patterns for which traditional HPC data storage (e.g., parallel file systems) are designed. In addition, as more data are obtained, it is feasible neither simply to train learning models incrementally, due to catastrophic forgetting (i.e., bias towards new samples), nor to train frequently from scratch, due to prohibitive time and/or resource constraints. In this paper, we study data management techniques that combine caching and streaming with rehearsal support in order to enable efficient access to training samples in both offline training and continual learning. We revisit state-of-art streaming approaches based on data pipelines that transparently handle prefetching, caching, shuffling, and data augmentation, and discuss the challenges and opportunities that arise when combining these methods with data-parallel training techniques. We also report on preliminary experiments that evaluate the I/O overheads involved in accessing the training samples from a parallel file system (PFS) under several concurrency scenarios, highlighting the impact of the PFS on the design of the data pipelines.

data pipelines↗

2025 TEM Workshop

The TEM Data Management Workshop will take place on August 26 from 9 a.m. to 12 p.m. MT, and will be held virtually on TEAMS. The primary goal of this workshop is to engage NSUF users and stakeholders in discussions about the data needs for the utilization of AI and ML in the analysis of TEM data. Key topics to be covered include data storage, data sharing, data tagging, metadata inclusion, standardized data formats, data augmentation, and annotated training datasets. Additionally, the workshop will provide valuable insights into resources such as the Nuclear Research Data System (NRDS) for data storage and sharing, as well as open-source codes for data analysis.

Bachhav, Mukesh↗

Multiresolution 3D-DenseNet for Chemical Shift Prediction in NMR Crystallography

We have developed a deep learning algorithm for chemical shift prediction for atoms in molecular crystals that utilizes an atom-centered Gaussian density model for the 3D data representation of a molecule. We define multiple channels that describe different spatial resolutions for each atom type that utilizes cropping, pooling, and concatenation to create a multiresolution 3D-DenseNet architecture (MR-3D-DenseNet). Because the training and testing time scale linearly with the number of samples, the MR-3D-DenseNet can exploit data augmentation that takes into account the property of rotational invariance of the chemical shifts, thereby also increasing the size of the training data set by an order of magnitude without additional cost. We obtain very good agreement for 13 C, 15 N, and 17 O chemical shifts when compared to ab initio quantum chemistry methods, with the highest accuracy found for 1 H chemical shifts that is comparable to the error between the ab initio results and experimental measurements. Principal component analysis (PCA) is used to both understand these greatly improved predictions for 1 H , as well as indicating that chemical shift prediction for 13 C, 15 N, and 17 O, which have far fewer training environments than the 1 H atom type, will improve once more unique training samples are made available to exploit the deep network architecture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Integrated analysis of X-ray diffraction patterns and pair distribution functions for machine-learned phase identification

Abstract To bolster the accuracy of existing methods for automated phase identification from X-ray diffraction (XRD) patterns, we introduce a machine learning approach that uses a dual representation whereby XRD patterns are augmented with simulated pair distribution functions (PDFs). A convolutional neural network is trained directly on XRD patterns calculated using physics-informed data augmentation, which accounts for experimental artifacts such as lattice strain and crystallographic texture. A second network is trained on PDFs generated via Fourier transform of the augmented XRD patterns. At inference, these networks classify unknown samples by aggregating their predictions in a confidence-weighted sum. We show that such an integrated approach to phase identification provides enhanced accuracy by leveraging the benefits of each model’s input representation. Whereas networks trained on XRD patterns provide a reciprocal space representation and can effectively distinguish large diffraction peaks in multi-phase samples, networks trained on PDFs provide a real space representation and perform better when peaks with low intensity become important. These findings underscore the importance of using diverse input representations for machine learning models in materials science and point to new avenues for automating multi-modal characterization.

36 MATERIALS SCIENCE↗

Detecting change as it occurs

Traditionally climate changes have been detected from long series of observations and long after they have happened. Our 'inverse sequential' procedure, for detecting change as soon as it occurs, describes the existing or most recent data by their frequency distribution. Its parameter(s) are estimated both from the existing set of observations and from the same set augmented by 1,2,....j new observations. Individual-value probability products ('likelihoods') are used to form ratios which yield two probabilities for erroneously accepting the existing parameter(s) as valid for the augmented data set, and vice versa. A genuine parameter change is signaled when these probabilities (or a more stable compound probability) show a progressive decrease. New parameter values can then be estimated from the new observations alone using standard statistical techniques. The inverse sequential procedure will be illustrated for global annual mean temperatures (assumed normally distributed), and for annual numbers of North Atlantic hurricanes (assumed to represent Poisson distributions). The procedure was developed, but not yet tested, for linear or exponential trends, and for chi-squared means or degrees of freedom, a special measure of autocorrelation.

Radok, Uwe↗

Know Your Space: Inlier and Outlier Construction for Calibrating Medical OOD Detectors

This software offers methods and functions for training calibrated out-of-distribution detectors for medical image classification tasks. It includes functionalities for training, synthesizing data augmentations, calibration, and out-of-distribution detection. Developed using PyTorch, this software is compatible with standard neural network architectures used for imaging data. Additionally, it provides capabilities to compute evaluation metrics for assessing the performance and quality of the detectors.

Narayanaswamy, VivekSivaraman↗

Stakeholder analysis for designing an urban air quality data governance ecosystem in smart cities

Cities, the world over, are fuelling economic growth. At the same time, rapid urbanization is a root cause of serious environmental damage. Recent WHO global air pollution guidelines highlight air pollution as a critical environmental threat along with climate change. To address these threats, smart cities and clean air programs are on a rise. In smart cities, data and Information and Communication Technologies (ICT) are major drivers of city transformations. The 4th Industrial Revolution (4IR) technologies such as the Internet of Things (IoT), big data, artificial intelligence (AI), and cloud computing have the potential to accelerate these transformations toward urban resilience. However, the success of smart cities and clean air programs depends on cohesive multi-sector stakeholder contributions. This study conducted interdisciplinary participative stakeholder analysis to understand the data, and sectorial challenges, to outline the technological opportunities to facilitate clean air programs in Indian smart cities. The research highlights gaps due to siloed stakeholder operations, lack of data calibration, non-alignment of smart city and air quality management services, non-availability of health exposure data, and difficulty in translating scientific data into implementable actions. Stakeholders expressed potential ‘fit for the purpose’ use of IoT devices, satellites, smartphones, and mobility data augmented by AI methods in bridging these gaps. In conclusion, the analysis points toward a need to develop an easily accessible and ubiquitous urban data governance ecosystem enabling seamless cross-sector data exchanges to build trusting relationships among the stakeholders across the air quality management value chain.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Transplatformer: translating toxicogenomic profiles between generations of platforms

Background Transcriptomic profiling technologies have advanced the analysis of biological and toxicological responses. However, substantial differences in probe design, dynamic range, gene coverage, and preprocessing pipelines across platforms introduce artifacts that limit cross-study integration and hinder the reuse of historical datasets. We aim to develop computational methods for accurate cross-platform translation to maximize the value of legacy resources. Results We present TransPlatformer a deep learning framework for translating gene expression profiles across heterogeneous toxicogenomics platforms. TransPlatformer employs a novel attention-based architecture to map high-dimensional fold-change vectors from legacy microarray technologies to current platforms. Models are trained and evaluated using DrugMatrix, spanning three technological generations. We investigate mixed-tissue, single-tissue, and cross-tissue training paradigms and benchmark performance against multilayer perceptron and matrix-completion baselines. In mixed-tissue training, TransPlatformer achieves a greater than 50% reduction in mean absolute error (0.043 vs. 0.09) and nearly doubles Pearson correlation ( ≈ 0.71 vs. 0.37) relative to baseline methods. Importantly, TransPlatformer preserves rare but biologically meaningful over- and under-expressed signals, with mean absolute error below 0.22. Single-tissue models yield further improvements for well-represented organs, such as a 10% reduction in liver mean absolute error, while underscoring the need for data augmentation strategies in low-sample tissues.ra Conclusions TransPlatformer provides an effective and scalable computational solution for cross-platform transcriptomic translation. By enabling biologically faithful harmonization of gene expression data, the proposed approach facilitates the reuse of legacy toxicogenomics datasets, enhances downstream biomarker discovery, and supports more reproducible predictive modeling in toxicology.

59 BASIC BIOLOGICAL SCIENCES↗

Deep learning to estimate permeability using geophysical data

Time-lapse electrical resistivity tomography (ERT) is a popular geophysical method to estimate three-dimensional (3D) permeability fields from electrical potential difference measurements. Traditional inversion and data assimilation methods are used to ingest this ERT data into hydrogeophysical models to estimate permeability. Due to ill-posedness and the curse of dimensionality, existing inversion strategies provide poor estimates and low resolution of the 3D permeability field. Recent advances in deep learning provide us with powerful algorithms to overcome this challenge. This paper presents a deep learning (DL) framework to estimate the 3D subsurface permeability from time-lapse ERT data. To test the feasibility of the proposed framework, we train DL-enabled inverse models on simulation data. Each measurement in both synthetic and field data is standardized by removing the mean and scaling the time-series to unit variance. This pre-processing step is necessary to bring simulation data closer to field observations. Subsurface process models based on hydrogeophysics are used to generate this synthetic data. Training performed on limited simulation data resulted in the DL model over-fitting. An advanced data augmentation based on mixup is implemented to generate additional training samples to overcome this issue. This mixup technique creates weakly labeled (low-fidelity) samples from strongly labeled (high-fidelity) data. The weakly labeled training data is then used to develop DL-enabled inverse models and reduce over-fitting. As both time-lapse ERT (1133048 features/realization) and 3D permeability (585453 features/realization) data samples are from a high-dimensional space, principal component analysis (PCA) is employed to reduce dimensionality. Encoded ERT and encoded permeability are generated using the trained PCA estimators. A deep neural network is then trained to map the encoded ERT to encoded permeability. This mixup training and unsupervised learning allowed us to build a fast and reasonably accurate DL-based inverse model under limited simulation data. Results show that proposed weak supervised learning can capture salient spatial features in the 3D permeability field. Quantitatively, the average mean squared error (in terms of the natural log) on the strongly labeled training, validation, and test datasets is less than 0.5. The R 2 -score (global metric) is greater than 0.75, and the percent error in each cell (local metric) is less than 10%. Finally, an added benefit in terms of computational cost is that the proposed DL-based inverse model is at least O(10 4 ) times faster than running a forward model once it is trained. Data generation, DL model training, and hyperparameter tuning to identify optimal neural network architectures utilized high-performance computing resources while the DL inference is performed on a standard laptop. Approximately, O(10 5 ) processor hours are used for generating data and DL tuning and training. We acknowledge that the data generation and DL model development are expensive. But once a DL model is trained, it can be re-used for inversion rapidly for the given system, with set physics and domain. Note that traditional inversion may require multiple forward model simulations (e.g., in the order of 10 to 1000), which are very expensive. This computational savings ≈ O(10 5 ) – O(10 7 )) makes the proposed DL-based inverse model attractive for subsurface imaging and real-time ERT monitoring applications due to fast and yet reasonably accurate estimations of permeability field.

58 GEOSCIENCES↗

Roadmap for transforming heterogeneous catalysis with artificial intelligence

Artificial intelligence (AI) is poised to transform heterogeneous catalysis, opening avenues for catalytic materials discovery. By uncovering intricate patterns in high-dimensional data, AI has been reshaping our pursuit of sustainable catalytic processes across the energy, environmental and chemical sectors. This promise, however, hinges on overcoming fundamental barriers, including limitations in data availability and quality, challenges in the generalizability and interpretability of data-augmented decisions, and the persistent gap between in silico predictions and experiments. Furthermore, we outline a forward-looking roadmap for deeply integrating AI into heterogeneous catalysis with an AI-ready data ecosystem, multimodal foundation models, and ultimately autonomous laboratories to accelerate the development of next-generation catalytic technologies via AI-empowered human–machine collaboration.

Computational methods↗

Names Don't Fly: Smart Filters for Profanity Detection and Classification in User-Generated Content

Generally, names associate with a person’s identity. But what if in the pretext of a legitimate name and given the opportunity, users of software provide names to online web forms that carry along offensive language, slurs, and other profanity that is then sent to Mars ? The answer is simple: they don’t fly. In this paper,we perform model explorations to detect and classify inappropriate content in the names submitted from people across the world to ‘Send Your Names to MARS’ public engagement campaign.We propose a novel pipeline approach, that can effectively overcome the issues of lack of negative samples, noisy labels by gathering expert knowledge over time with human(s) in the loop and data augmentation, and achieve high accuracy in classifying inappropriate names with very little or no context. We describe cloud-based infrastructure to deploy our application and run predictions on large-scale data through our pipeline and achieve significant speedup over offline processes, with enhanced reliability and security.

Soderstrom, Tomas↗