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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Deep unsupervised learning using spike-timing-dependent plasticity

Abstract Spike-timing-dependent plasticity (STDP) is an unsupervised learning mechanism for spiking neural networks that has received significant attention from the neuromorphic hardware community. However, scaling such local learning techniques to deeper networks and large-scale tasks has remained elusive. In this work, we investigate a Deep-STDP framework where a rate-based convolutional network, that can be deployed in a neuromorphic setting, is trained in tandem with pseudo-labels generated by the STDP clustering process on the network outputs. We achieve 24.56% higher accuracy and 3.5 × faster convergence speed at iso-accuracy on a 10-class subset of the Tiny ImageNet dataset in contrast to a k -means clustering approach.

Lu, Sen↗
DOE OSTI2023

DeepZipper. II. Searching for Lensed Supernovae in Dark Energy Survey Data with Deep Learning

Gravitationally lensed supernovae (LSNe) are important probes of cosmic expansion, but they remain rare and difficult to find. Current cosmic surveys likely contain 5–10 LSNe in total while next-generation experiments are expected to contain several hundred to a few thousand of these systems. We search for these systems in observed Dark Energy Survey (DES) five year SN fields—10 3 sq. deg. regions of sky imaged in the griz bands approximately every six nights over five years. To perform the search, we utilize the DeepZipper approach: a multi-branch deep learning architecture trained on image-level simulations of LSNe that simultaneously learns spatial and temporal relationships from time series of images. We find that our method obtains an LSN recall of 61.13% and a false-positive rate of 0.02% on the DES SN field data. DeepZipper selected 2245 candidates from a magnitude-limited (m i < 22.5) catalog of 3,459,186 systems. We employ human visual inspection to review systems selected by the network and find three candidate LSNe in the DES SN fields.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Web-Based Tools for Data-Informed Remedy Optimization: Software Theory and User Guide

This report documents the development and application of two web-based decision-support tools for pump-and-treat (P&T) groundwater remediation systems: PTOLEMY (Pump-and-Treat Optimized Location Evaluation to Maximize Yields) and OPTIMA (Optimization for Pump-and-Treat Implementation, Management, & Assessment). These tools enhance remedy design and management by leveraging advanced computational methods – specifically deep learning and multi-objective optimization – within a user-friendly platform. By integrating data-driven models with established hydrogeological knowledge, PTOLEMY and OPTIMA enable more efficient evaluation of well placement and operational strategies, helping site managers balance multiple remediation objectives under complex conditions. Both tools are implemented as modules within the SOCRATES (Suite Of Comprehensive Rapid Analysis Tools for Environmental Sites) web platform, which provides data access, visualization, and analytics to support remedy optimization across sites in the U.S. Department of Energy Office of Environmental Management complex. PTOLEMY is a rapid screening module designed to identify promising locations for new extraction wells. It employs a multi-channel three-dimensional convolutional neural network (MC3D-CNN) trained on high-fidelity simulation data to predict the relative performance (in terms of contaminant mass recovery) of potential well sites. Through an interactive web interface, PTOLEMY visualizes the probability of high performance across a site, highlighting areas where an extraction well is likely to yield above-threshold contaminant removal over a multi-year period. PTOLEMY’s map-based displays and exportable results support transparent communication of screening analyses. By focusing attention on the most favorable candidate locations, the tool augments traditional engineering judgment and physics-based modeling, providing a data informed basis for subsequent detailed evaluations. OPTIMA is a multi objective optimization module designed to find wellfield layouts and operating schedules that meet various cleanup goals. It quickly evaluates thousands of candidate setups – combinations of well locations, timing, and rates – and returns a small set of best trade-off options for comparison. At its core, OPTIMA uses a U-Net-based surrogate model – a deep-learning emulator of a groundwater flow and transport simulator – to dramatically accelerate scenario evaluations. Coupling this fast surrogate with the NSGA-II (Non-dominated Sorting Genetic Algorithm II) evolutionary algorithm, OPTIMA explores a wide decision space of well locations and schedules to identify Pareto-optimal solutions that trade off key objectives (e.g., minimizing cleanup time, maximizing contaminant mass removal, and minimizing plume extent). The tool outputs a family of optimal configurations and visualizes their trade-offs (Pareto frontiers of cleanup metrics and maps of optimized well placements). Site managers can use these results to understand the range of viable strategies and to select candidate designs for more detailed verification. OPTIMA is currently under active development and not yet fully released; this guide provides early documentation to support planning and gather user feedback.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

A machine learning degradation model for electrochemical capacitors operated at high temperature

Electrochemical capacitors (ECs) have only recently been considered as an alternative power source for telemetry sensors of drilling equipment for geothermal or oil and gas exploration. The lifecycle analysis and modelling of ECs is underrepresented in literature in comparison to other storage devices e.g. Li-ion batteries. This paper investigates the degradation of ECs when cycled outside the manufacturer-specified operating temperature envelope and proposes a machine learning-based approach for modelling the degradation. Experimental results show that end of life, defined as a 30% decrease in capacitance, occurs at 1,000 cycles when the environmental temperature exceeds the maximum operating temperature by 30%. The life-cycle test data is then used as an input to a Gaussian process regression (GPR) algorithm to predict the capacitance fade trend. The GPR is validated on a total of nine commercial cells from two different manufacturers, achieving an average root mean squared percent error of less than 2% and a mean calibration score of 93% when referenced to a 95% confidence interval. The model can be utilized to determine the EC degradation rate at a range of operating temperature values.

42 ENGINEERING↗
DOE OSTI2020

Stability boundary and optimal operating parameter identification in milling using Bayesian learning

Here, this paper describes a novel Bayesian learning approach for stability boundary and optimal parameter identification in milling without the knowledge of the underlying tool dynamics or material cutting force coefficients. The paper is divided into two parts. First, a Bayesian learning method for stability lobe identification using test results is described. Each axial depth and spindle speed combination is characterized by a probability of stability which is updated using Bayes’ rule when a test result (stable or unstable) is made available. A novel likelihood function is defined which incorporates knowledge of the stability behavior. Numerical results show convergence to the analytical stability lobe diagram. Second, an adaptive experimental strategy to identify optimal operating parameters that maximize material removal rate is described. Numerical evaluation shows convergence to the optimal operating point with error less than 15 % within ten tests on average. The approach is validated using experimental results. Results show that the proposed method is an efficient and robust learning method to identify the stability lobe diagram and optimal operating parameters with a limited number of tests/data points.

Bayesian machine learning↗
DOE OSTI2023

Digital holography for real-time non-invasive monitoring of larval fish at power plant intakes

Effective evaluation of technological and operational approaches to reduce entrainment of marine organisms at cooling water intake structures (CWIS) requires accurate organism-sensing systems. Current detection methods lead to large temporal data gaps, require tedious manual analysis, and are fatal to organisms. In this report we describe integrating deep learning with a non-lethal, non-intrusive imaging method—digital holography—to rapidly detect fish larvae. Laboratory experiments demonstrated that the instrument could successfully image fish larvae at flow rates exceeding ranges seen in CWIS. Holograms of two fish larvae species, in the presence of bubbles and detritus, were collected to build a large database for training a lightweight convolutional neural network. The model achieves 97% extraction accuracy in quantifying larvae, and distinguishing them from other particles, including detritus and bubbles, when applied to a dataset of manually classified images, exceeding previous metrics for non-lethal, accurate, and real-time detection. These results demonstrate the potential of in situ holographic imaging for monitoring endangered larval fish species at power plant intake structures, and for high-fidelity, real-time applications in monitoring aquatic ichthyoplankton.

endangered species↗
DOE OSTI2022

Using Deep Mutational Data and Machine Learning to Guide Outbreak and Pandemic Response

A significant fraction of pathogens known to infect humans originate in non-human (zoonotic) hosts (Taylor, Latham, and Woolhouse 2001), and new and emerging pathogens continue to spill over into the human population more frequently at an alarming rate (e.g., SARS, MERS, Cholera, etc.). The recent outbreaks of Ebola virus in West Africa and the ongoing SARS-CoV-2 pandemic demonstrate the need for rapid and reliable assessments of viral phenotype information to help inform scientists and policy makers how best to control the spread of disease. Further understanding of the virus pathogenic evolutionary space and potential trajectory could guide appropriate control measures to limit the spread of a new virus throughout the local and global human population.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Deep Learning Emulation of Subgrid-Scale Processes in Turbulent Shear Flows

Deep neural networks (DNNs) are developed from a data set obtained from the dynamic Smagorinsky model to emulate the subgrid-scale (SGS) viscosity (ν sgs ) and diffusivity (κ sgs ) for turbulent stratified shear flows encountered in the oceans and the atmosphere. These DNNs predict ν sgs and κ sgs from velocities, strain rates, and density gradients such that the evolution of the kinetic energy budget and density variance budget terms is similar to the corresponding values obtained from the original dynamic Smagorinsky model. These DNNs also compute ν sgs and κ sgs ~2–4 times quicker than the dynamic Smagorinsky model resulting in a ~2–2.5 times acceleration of the entire simulation. This study demonstrates the feasibility of deep learning in emulating the subgrid-scale (SGS) phenomenon in geophysical flows accurately in a cost-effective manner. In a broader perspective, deep learning-based surrogate models can present a promising alternative to the traditional parameterizations of the subgrid-scale processes in climate models.

58 GEOSCIENCES↗
DOE OSTI2022

Nanoindentation mapping defects filtration for heterogeneous materials using generative adversarial networks

Advanced composite materials with multiple phases and heterogeneous microstructure necessitate spatial mapping characterization of elastic modulus to develop constitutive relations and overall mechanical response. Such modulus mapping can be obtained using the nanoindentation technique, where the indenter tip raster over the selected microstructure region. Typically, a surface preparation procedure is done in the specimens to ensure proper contact between the indenter tip and sample surface. However, a near-perfect surface finish is unachievable in heterogeneous materials, primarily with ceramic reinforcements, due to the differential material removal rate during polishing. Thus, the nanoindenter records localized erroneous measurements due to differences in surface roughness and corresponding force response. This study establishes a novel deep learning-based strategy to rectify incorrect experimental spatial measurements acquire during nanoindentation modulus mapping. Here, the integrated bicubic interpolation and generative adversarial networks (GANs) model was trained using 14 ceramic and 18 metallic data sets, each comprising 65,536 measurements. The developed algorithm was validated against experimental measurements on four unknown specimens. The standard deviation in measured elastic modulus reduces by ~50% in ceramics and ~72% in metallic samples. This computational framework proposes a novel approach to reducing uncertainty in materials’ properties using state-of-the-art computer vision techniques.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Spectral kernel machines with electrically tunable photodetectors

Spectral machine vision collects spectral and spatial information as three-dimensional hypercubes and digitally processes them, which causes a data bottleneck, limiting power efficiency, frame rate, and spectral-spatial resolution. This work introduces spectral kernel machines (SKMs) to overcome these bottlenecks. SKM directly compresses spectral analysis through the output photocurrent and learns from example objects to identify and classify new samples in a "sniff-and-seek" mode. We experimentally demonstrated SKMs with electrically tunable bipolar black phosphorus-molybdenum disulfide (bP-MoS2) photodiodes in the near- and mid-infrared band and silicon photoconductors in the visible band, performing versatile intelligent tasks from chemometrics to semiconductor metrology. This architecture consumed substantially less power and was more than an order of magnitude faster than existing solutions for hyperspectral image analysis, defining an intelligent imaging and sensing paradigm with intriguing possibilities.

Zhang, Dehui↗
DOE OSTI2023

Predicting Short-Term Deformation in the Central Valley Using Machine Learning

Land subsidence caused by excessive groundwater pumping in Central Valley, California, is a major issue that has several negative impacts such as reduced aquifer storage and damaged infrastructures which, in turn, produce an economic loss due to the high reliance on crop production. This is why it is of utmost importance to routinely monitor and assess the surface deformation occurring. Two main goals that this paper attempts to accomplish are deformation characterization and deformation prediction. The first goal is realized through the use of Principal Component Analysis (PCA) applied to a series of Interferomtric Synthetic Aperture Radar (InSAR) images that produces eigenimages displaying the key characteristics of the subsidence. Water storage changes are also directly analyzed by the use of data from the Gravity Recovery and Climate Experiment (GRACE) twin satellites and the Global Land Data Assimilation System (GLDAS). The second goal is accomplished by building a Long Short-Term Memory (LSTM) model to predict short-term deformation after developing an InSAR time series using LiCSBAS, an open-source InSAR time series package. The model is applied to the city of Madera and produces better results than a baseline averaging model and a one dimensional convolutional neural network (CNN) based on a mean squared error metric showing the effectiveness of machine learning in deformation prediction as well as the potential for incorporation in hazard mitigation models. The model results can directly aid policy makers in determining the appropriate rate of groundwater withdrawal while maintaining the safety and well-being of the population as well as the aquifers’ integrity.

58 GEOSCIENCES↗
DOE OSTI2020

Big Data and AI at DoE's Legacy Sites - 20546

More than 30 years have passed since DOE started the decommissioning of nuclear weapon complexes and the clean-up of soil and groundwater. All the sites have been collecting and archiving soil and groundwater monitoring datasets; particularly contaminant concentration time-series. These datasets provide unparalleled opportunities to understand the system behavior (including more fundamental hydrological and geochemical processes, the response to various perturbations, the long-term trend and environmental decay rate towards the regulatory limit). This understanding is critical for providing multiple lines of evidences that can support site closure. In this study, we explore the machine learning (ML) and artificial intelligence (AI) applications to the long-term soil and groundwater management at DoE's legacy sites. ML can improve our understanding of the subsurface systems, which is critical for long-term monitoring and management of the sites, while AI can automate or support some of decision-making processes (e.g., anomaly detection, monitoring well placements). The particular focuses are to develop general algorithms to: (1) to identify distinct spatiotemporal patterns and to identify several groups that have similar temporal behaviors, using unsupervised clustering methods, (2) identify the different temporal scales of hydrological responses to climate perturbations by time-series analysis, and (3) reduce the number of monitoring wells by identifying the minimum sufficient number of wells to capture the heterogeneity of the groundwater contaminant plume and concentration distribution, using the Gaussian Process model. We demonstrate our methodology at the Savannah River Site F-Area. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Machine learning modeling and model predictive control of a closed-circuit reverse osmosis system

Closed-circuit reverse osmosis (CCRO) offers a flexible and energy-efficient alternative to conventional reverse osmosis by operating in a semi-batch mode that recycles brine, enabling higher recovery rates and reduced specific energy consumption (SEC). However, developing accurate, system-level dynamic models for CCRO remains challenging due to its nonlinear, multi-phase operation and sensitivity to variable feed water conditions. Traditional modeling approaches, such as NARMAX (nonlinear autoregressive moving average with exogenous inputs), often struggle to generalize across varying inlet feed concentrations, necessitating frequent parameter re-estimation and limiting their utility for real-time control applications. To address these limitations, we developed a long short-term memory (LSTM) neural network model trained on an extensive experimental data set from a CCRO pilot plant. The model accepts three inputs, feed flow rate, recirculation flow rate, and initial feed conductivity, and predicts three key outputs: reject conductivity, feed pump power draw, and recirculation pump power draw. We validated the LSTM model against experimental data, demonstrating its ability to distinguish between different feed conductivities and adapt to variable flow rates. Subsequently, we incorporated the LSTM model within a nonlinear model predictive control (MPC) scheme and conducted closed-loop simulations to optimize the integrated SEC (iSEC). In conclusion, the results project up to a 6% reduction in iSEC by using MPC to optimize performance over the entire experiment duration, without requiring any random excitation for data collection or parameter re-estimation.

Desalination↗
DOE OSTI2025

Criticality analysis of nuclear binding energy neural networks

Machine learning methods, in particular deep learning methods such as artificial neural networks (ANNs) with many layers, have become widespread and useful tools in nuclear physics. However, these ANNs are typically treated as ‘black boxes’, with their architecture (width, depth, and weight/bias initialization) and the training algorithm and parameters chosen empirically by optimizing learning based on limited exploration. We test a non-empirical approach to understanding and optimizing nuclear physics ANNs by adapting a criticality analysis based on renormalization group flows in terms of the hyperparameters for weight/bias initialization, training rates, and the ratio of depth to width. This treatment utilizes the statistical properties of neural network initialization to find a generating functional for network outputs at any layer, allowing for a path integral formulation of the ANN outputs as a Euclidean statistical field theory. We use a prototypical example to test the applicability of this approach: a simple ANN for nuclear binding energies. We find that with training using a stochastic gradient descent optimizer, the predicted criticality behavior is realized, and optimal performance is found with critical tuning. However, the use of an adaptive learning algorithm leads to somewhat superior results without concern for tuning and thus obscures the analysis. Nevertheless, the criticality analysis offers a way to look within the black box of ANNs, which is a first step towards potential improvements in network performance beyond using adaptive optimizers.

artificial neural network↗
DOE OSTI2024

High-Performance Iridium–Molybdenum Oxide Electrocatalysts for Water Oxidation in Acid: Bayesian Optimization Discovery and Experimental Testing

Ir oxides are costly and scarce catalysts for oxygen evolution reaction (OER) in acid. There has been extensive interest in developing alternatives that are either Ir-free or require smaller amounts of Ir to drive the reactions at acceptable rates. One design strategy is to identify Ir-based mixed oxides that achieve similar performance while requiring smaller amounts of Ir. The obstacle to this strategy has been a very large phase space of the Ir-based mixed metal oxides, in terms of the metals combined with Ir and the different crystallographic structures of the mixed oxides, which prevents a thorough exploration of possible materials. In this work, we developed a workflow that uses machine-learning-aided Bayesian optimization in combination with density functional theory to make the exploration of this phase space plausible. This screening identified Mo as a promising dopant for forming acid-tolerant Ir-based oxides for the OER. We synthesized and characterized the Ir–Mo mixed oxides in the form of thin-film electrocatalysts with a known surface area. We show that these mixed oxides exhibited overpotentials ~30 mV lower than a pure Ir control while maintaining 24% lower Ir dissolution rates than the Ir control. Furthermore, these findings suggest that Mo is a promising dopant and highlight the promise of machine learning to guide the experimental exploration and optimization of catalytic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Protein–Protein Interaction Networks Derived from Classical and Machine Learning-Based Natural Language Processing Tools

The study of protein-protein interactions (PPIs) provides insight into various biological mechanisms, including the binding of antibodies to antigens, enzymes to inhibitors or promoters, and receptors to ligands. Recent studies of PPIs have led to significant biological breakthroughs. For example, the study of PPIs involved in the human:SARS-CoV-2 viral infection mechanism aided in the development of the SARS-CoV-2 vaccines. Though several databases exist for the manual curation of PPI networks, text mining methods have been routinely demonstrated as useful alternatives for newly studied or understudied species where databases are incomplete. Here, the relationship extraction (RE) performance of several open-source classical text processing, machine learning (ML)-based natural language processing (NLP), and large language model (LLM)-based NLP tools were compared. Overall, our results indicated that networks derived from classical methods tend to have high true positive rates at the expense of having overconnected-networks, ML-based NLP methods have lower true positive rates but networks with the closest structures to the target network, and LLM-based NLP methods tend to exist in-between the two other approaches, with variable performances. Finally, the selection of a specific NLP approach should be tied to the needs of a study and text availability, as models varied in performance due to the amount of text provided.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Internal variability and forcing influence model–satellite differences in the rate of tropical tropospheric warming

Climate-model simulations exhibit approximately two times more tropical tropospheric warming than satellite observations since 1979. The causes of this difference are not fully understood and are poorly quantified. Here, we apply machine learning to relate the patterns of surface-temperature change to the forced and unforced components of tropical tropospheric warming. This approach allows us to disentangle the forced and unforced change in the model-simulated temperature of the midtroposphere (TMT). In applying the climate-model-trained machine-learning framework to observations, we estimate that external forcing has produced a tropical TMT trend of 0.25 ± 0.08 K⋅decade −1 between 1979 and 2014, but internal variability has offset this warming by 0.07 ± 0.07 K⋅decade −1 . Using the Community Earth System Model version 2 (CESM2) large ensemble, we also find that a discontinuity in the variability of prescribed biomass-burning aerosol emissions artificially enhances simulated tropical TMT change by 0.04 K⋅decade −1 . The magnitude of this aerosol-forcing bias will vary across climate models, but since the latest generation of climate models all use the same emissions dataset, the bias may systematically enhance climate-model trends over the satellite era. Our results indicate that internal variability and forcing uncertainties largely explain differences in satellite-versus-model warming and are important considerations when evaluating climate models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Performance Comparison of Clipping Detection Techniques in AC Power Time Series

In this research, a variety of methods were developed to detect clipping periods in AC power time series. AC power data streams associated with 36 unique systems across the United States were collected, and data points representing clipping periods were manually labeled by experts. Using this data set for training and validation, novel logic-based and machine learning (ML) approaches were developed to classify time series values as clipping or non-clipping. These approaches were compared to the RdTools method for detecting clipping periods. The logic-based and ML XGBoost approaches achieved F-scores of 85.0 and 77.6, respectively, when cross-validated against the manually labeled data, as compared to the current RdTools approach (F-score of 56.4), indicating a significant improvement at detecting clipping periods. Additionally, the effects of each clipping filter when evaluating system degradation rates were assessed, using 31 unique systems across the United States. Results indicate that estimated system degradation rate can vary based on the type of clipping filter used, by up to 0.6% degradation rate for some cases.

clipping↗