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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Energy Cost Estimate Tool v2.0: Methodology and Usage

Information about home energy costs is essential for appraisers, lenders, and buyers, but reliable data are often unavailable in real estate transactions. To fill this gap, the National Laboratory of the Rockies developed the Energy Cost Estimate (ECE) tool. The tool provides flexible, data-driven estimates of annual household energy use and costs across the contiguous United States, using only a small number of inputs typically found in mortgage appraisals. This report presents the methodology behind version 2.0 of the ECE tool, demonstrates how users can generate estimates through its interface, and discusses its applications and limitations.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2026

PRIMO – The Oil & Gas Well Plugging Optimizer

This work presents PRIMO’s main capabilities and introduces the PRIMO web application, an intuitive user interface that leverages our sophisticated mathematical optimization model to rigorously optimize P&A priorities and plugging campaign efficiency. The web app simplifies user interaction, provides a powerful data management framework, and supports a broad user base (e.g., state agencies, well owners/operators, and plugging companies) to use PRIMO for decision-making. Specifically, we provide a demonstration of how to input the information on candidate wells, plugging campaign budget, user-defined priority and efficiency criteria to PRIMO. A real-world case study that consists of 1411 oil and gas wells and impact and efficiency priorities (e.g., well age, well proximity to schools/hospitals, well accessibility, distance between wells in projects) is presented to showcase PRIMO’s core capabilities: (i) ranking a candidate well population based on priorities, (ii) recommending high-impact and high-efficiency P&A projects, and (iii) assigning impact and efficiency scores to projects allowing for rigorous quantitative comparison among them.

02 PETROLEUM↗
NASA NTRS2022

Exploring Applications of Machine Learning for Wildfire Monitoring and Detection using Unmanned Aerial Vehicles

Wildfires are increasing in frequency and severity around the world, including the United States. The losses caused by wildfires could be mitigated if high-risk areas, hotspots, and flare-ups could be monitored continuously, such as through the use of Unmanned Aerial Vehicles (UAVs). This paper documents exploratory efforts using machine learning to determine efficient flight paths for UAVs and to detect wildfires using image classification. On path planning, three machine learning techniques—Genetic Algorithm, Simulated Annealing, and Dynamic Programming—were explored. Genetic Algorithm was found to be an effective approach for path planning for wildfire monitoring and surveillance by UAVs. For a scenario of 25 locations in a circular arrangement, the algorithm was able to return the optimal path. The accuracy and execution time was found to be sensitive to the algorithm hyperparameters selected, which was especially evident in scenarios with hundreds or thousands of locations. Simulated Annealing was also found to be an effective approach for UAV path planning, with a major benefit of avoiding getting trapped in local minima and being straightforward to implement. Like Genetic Algorithm, the performance of Simulated Annealing was also found to be sensitive to the algorithm hyperparameters selected. By comparison, Dynamic Programming guarantees optimality for any number of locations, but it was found to be less practical in terms of execution time for scenarios with more than about a couple dozen locations. On wildfire detection, image classification using deep learning with a convolutional neural network was explored. Transfer learning was found to be a useful technique to efficiently train deep learning models. Also, it was determined that GPU processing can increase training speed by an order of magnitude, which enables significantly faster development. For a validation test set of 500 images, there were only two false negatives and zero false positives. These results demonstrate that detecting wildfires in static cameras using machine learning is feasible and establish a baseline for using images captured by UAVs in flight for wildfire detection.

Wildfire management↗
DOE OSTI2022

Performance and power modeling and prediction using MuMMI and 10 machine learning methods

Energy-efficient scientific applications require insight into how high performance computing system features impact the applications' power and performance. This insight can result from the development of performance and power models. Here, in this article, we use the modeling and prediction tool MuMMI (Multiple Metrics Modeling Infrastructure) and 10 machine learning methods to model and predict performance and power consumption and compare their prediction error rates. We use an algorithm-based fault-tolerant linear algebra code and a multilevel checkpointing fault-tolerant heat distribution code to conduct our modeling and prediction study on the Cray XC40 Theta and IBM BG/Q Mira at Argonne National Laboratory and the Intel Haswell cluster Shepard at Sandia National Laboratories. Our experimental results show that the prediction error rates in performance and power using MuMMI are less than 10% for most cases. By utilizing the models for runtime, node power, CPU power, and memory power, we identify the most significant performance counters for potential application optimizations, and we predict theoretical outcomes of the optimizations. Based on two collected datasets, we analyze and compare the prediction accuracy in performance and power consumption using MuMMI and 10 machine learning methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Dynamic machine learning-based optimization algorithm to improve boiler efficiency

With decreasing computational costs, improvement in algorithms, and the aggregation of large industrial and commercial datasets, machine learning is becoming a ubiquitous tool for process and business innovations. Machine learning is still lacking applications in the field of dynamic optimization for real-time control. This work presents a novel framework for performing constrained dynamic optimization using a recurrent neural network model combined with a metaheuristic optimizer. The framework is designed to augment an existing control system and is purely data-driven, like most industrial Model Predictive Control applications. Several recurrent neural network models are compared as well as several metaheuristic optimizers. Hyperparameters and optimizer parameters are tuned with parameter sweeps, and the resulting values are reported. Further, the best parameters for each optimizer and model combination are demonstrated in closed-loop control of a dynamic simulation, and several recommendations are made for generalizing this framework to other systems. Up to 0.953% improvement is realized over the non-optimized case for a simulated coal-fired boiler. While this is not a large improvement in percentage, the total economic impact is $991,000 per year, and this study builds a foundation for future machine learning with dynamic optimization.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRSDate not supplied

Autonomous Spacecraft Attitude Control Using Deep Reinforcement Learning

While machine learning and spacecraft autonomy continue to gain research interest, significant work remains to be done in efficiently applying modern machine learning techniques to problems in space ight. This study presents a framework for deriving a discrete neural spacecraft attitude controller using reinforcement learning, a paradigm of machine learning, without the need for high-performance computing. The developed attitude controller is an approximately time-optimal solution to a highly constrained control problem, able to achieve well above industry-standard pointing accuracies. Control examples are also presented of the agent performing large-angle spacecraft slews in the developed simulation environment and future extensions of this work are discussed.

ATAP↗
DOE OSTI2020

Automatic microseismic event picking via unsupervised machine learning

SUMMARY Effective and efficient arrival picking plays an important role in microseismic and earthquake data processing and imaging. Widely used short-term-average long-term-average ratio (STA/LTA) based arrival picking algorithms suffer from the sensitivity to moderate-to-strong random ambient noise. To make the state-of-the-art arrival picking approaches effective, microseismic data need to be first pre-processed, for example, removing sufficient amount of noise, and second analysed by arrival pickers. To conquer the noise issue in arrival picking for weak microseismic or earthquake event, I leverage the machine learning techniques to help recognizing seismic waveforms in microseismic or earthquake data. Because of the dependency of supervised machine learning algorithm on large volume of well-designed training data, I utilize an unsupervised machine learning algorithm to help cluster the time samples into two groups, that is, waveform points and non-waveform points. The fuzzy clustering algorithm has been demonstrated to be effective for such purpose. A group of synthetic, real microseismic and earthquake data sets with different levels of complexity show that the proposed method is much more robust than the state-of-the-art STA/LTA method in picking microseismic events, even in the case of moderately strong background noise.

Chen, Yangkang↗
DOE OSTI2020

APOGEE Net: Improving the Derived Spectral Parameters for Young Stars through Deep Learning

Machine learning allows for efficient extraction of physical properties from stellar spectra that have been obtained by large surveys. The viability of machine-learning approaches has been demonstrated for spectra covering a variety of wavelengths and spectral resolutions, but most often for main-sequence (MS) or evolved stars, where reliable synthetic spectra provide labels and data for training. Spectral models of young stellar objects (YSOs) and low-mass MS stars are less well-matched to their empirical counterparts, however, posing barriers to previous approaches to classify spectra of such stars. In this work, we generate labels for YSOs and low-mass MS stars through their photometry. We then use these labels to train a deep convolutional neural network to predict logg, T {sub eff}, and Fe/H for stars with Apache Point Observatory Galactic Evolution Experiment (APOGEE) spectra in the DR14 data set. This “APOGEE Net” has produced reliable predictions of logg for YSOs, with uncertainties of within 0.1 dex and a good agreement with the structure indicated by pre-MS evolutionary tracks, and it correlates well with independently derived stellar radii. These values will be useful for studying pre-MS stellar populations to accurately diagnose membership and ages.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Efficient simulation of optical spectra via machine learning and physical decomposition of environmental effects

Simulations of optical spectra can provide key insights to aid experimental interpretation of electronic excitation phenomena. For chromophores in the condensed phase, these spectra, which incorporate the coupling between electronic excitation and molecular and solvent nuclear motions, can be simulated using excitation energies obtained from molecular dynamics simulations of the chromophore and solvent. Here, we present a hybrid scheme that exploits machine learning and physically informed spectral densities to show that as few as 25 ground and excited state energetic gradient calculations can be used to construct models that accurately predict environment-influenced vibronic coupling in optical spectra. We demonstrate our approach for the green fluorescent protein chromophore in water and the cresyl violet chromophore in methanol. We show that our hybrid approach, employing a machine learning model for the high-frequency spectral density and an ab initio parameterized Debye spectral density for the low-frequency, results in a systematic improvement of the optical absorption lineshape, leading to a simple machine learning scheme that can be used for the simulation of spectral densities and optical spectra.

Snider, Andrew [Univ. of California, Merced, CA (U↗
DOE OSTI2020

A Novel Active Optimization Approach for Rapid and Efficient Design Space Exploration Using Ensemble Machine Learning

In this work, a novel design optimization technique based on active learning, which involves dynamic exploration and exploitation of the design space of interest using an ensemble of machine learning algorithms, is presented. In this approach, a hybrid methodology incorporating an explorative weak learner (regularized basis function model) that fits high-level information about the response surface and an exploitative strong learner (based on committee machine) that fits finer details around promising regions identified by the weak learner is employed. For each design iteration, an aristocratic approach is used to select a set of nominees, where points that meet a threshold merit value as predicted by the weak learner are selected for evaluation. In addition to these points, the global optimum as predicted by the strong learner is also evaluated to enable rapid convergence to the actual global optimum once the most promising region has been identified by the optimizer. Additionally, this methodology is first tested by applying it to the optimization of a two-dimensional multi-modal surface and, subsequently, to a complex internal combustion (IC) engine combustion optimization case with nine control parameters related to fuel injection, initial thermodynamic conditions, and in-cylinder flow. It is found that the new approach significantly lowers the number of function evaluations that are needed to reach the optimum design configuration (by up to 80%) when compared to conventional optimization techniques, such as particle swarm and genetic algorithm-based optimization techniques.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Invited: Software defined accelerators from learning tools environment

Next generation systems, such as edge devices, will need to provide efficient processing of machine learning (ML) algorithms along several metrics, including energy, performance, area, and latency. However, the quickly evolving field of ML makes it extremely difficult to generate accelerators able to support a wide variety of algorithms. At the same time, designing accelerators in hardware description languages (HDLs) by hand is hard and time consuming, and does not allow quick exploration of the design space. In this paper we present the Software Defined Accelerators From Learning Tools Environment (SODALITE), an automated open source high-level ML framework-to-verilog compiler targeting ML Application-Specific Integrated Circuits (ASICs) chiplets. The SODALITE approach will implement optimal designs by seamlessly combining custom components generated through high-level synthesis (HLS) with templated and fully tunable Intellectural Properties (IPs) and macros, integrated in an extendable resource library. Through a closed loop design space exploration engine, developers will be able to quickly explore their hardware designs along different dimensions.

High-Level Synthesis, Accelerators, Hardware-Softw↗
DOE OSTI2022

Graph neural networks for efficient learning of mechanical properties of polycrystals

Herein we present graph neural networks (GNNs) as an efficient and accurate machine learning approach to predict mechanical properties of polycrystalline materials. Here, a GNN was developed based on graph representation of polycrystals incorporating only fundamental features of grains including their crystallographic orientation, size, and grain neighbor connectivity information. We tested our method on modeling stiffness and yield strength of α -Ti microstructures, varying in their crystallographic texture. We find the GNN predicts both properties with high accuracy with mean relative errors of ~1% for unseen microstructures from a given set of textures and < 2% for microstructures of unseen texture, even when presented with limited training data. This accuracy is comparable to methods that require high-resolution three-dimensional (3D) microstructure data, such as 3D convolutional neural networks (3D-CNNs) and models that depend on the computation of spatial statistics. The present results show that graph-based deep learning is a promising framework for property prediction, especially considering the high cost associated with obtaining high-resolution 3D microstructure data and the general scarcity of experimental materials datasets.

36 MATERIALS SCIENCE↗
NASA NTRS2016

A Quantum-Assisted Algorithm for Sampling Applications in Machine Learning

An increase in the efficiency of sampling from Boltzmann distributions would have a significant impact in deep learning and other machine learning applications. Recently, quantum annealers have been proposed as a potential candidate to speed up this task, but several limitations still bar these state-of-the-art technologies from being used effectively. One of the main limitations is that, while the device may indeed sample from a Boltzmann-like distribution, quantum dynamical arguments suggests it will do so with an instance-dependent effective temperature, different from the physical temperature of the device. Unless this unknown temperature can be unveiled, it might not be possible to effectively use a quantum annealer for Boltzmann sampling. In this talk, we present a strategy to overcome this challenge with a simple effective-temperature estimation algorithm. We provide a systematic study assessing the impact of the effective temperatures in the learning of a kind of restricted Boltzmann machine embedded on quantum hardware, which can serve as a building block for deep learning architectures. We also provide a comparison to k-step contrastive divergence (CD-k) with k up to 100. Although assuming a suitable fixed effective temperature also allows to outperform one step contrastive divergence (CD-1), only when using an instance-dependent effective temperature we find a performance close to that of CD-100 for the case studied here. We discuss generalizations of the algorithm to other more expressive generative models, beyond restricted Boltzmann machines.

Perdomo-Ortiz, Alejandro↗
DOE OSTI2026

Hybrid Quantum–Classical Graph Transformers for Efficient Sentiment Analysis

Quantum Machine Learning (QML) offers a promising paradigm that leverages quantum computing principles to develop efficient and expressive models for learning from complex and structured data. Recent advances in natural language processing (NLP) and artificial intelligence (AI) have demonstrated capabilities in understanding, generating, and reasoning over linguistic and multimodal information. In this work, we present the Quantum Graph Transformer (QGT), a hybrid quantum–classical architecture that extends graph transformer capabilities through quantum self-attention. The QGT models variable-length sentences as token graphs, where both the embedding encoding and the self-attention mechanisms are implemented using parameterized quantum circuits (PQCs), enabling efficient contextual learning with significantly fewer trainable parameters. We train QGT using both fully connected and 𝑘 -nearest-neighbor graph structures and evaluate it on five benchmark sentiment-classification datasets. Experimental results show that QGT consistently achieves higher or comparable accuracy to existing quantum NLP models and outperforms a Classical Graph Transformer (CGT) baseline with identical architecture, achieving 29.4 × fewer parameters while requiring 3–5 × fewer samples to reach comparable performance. These findings highlight the potential of graph-based quantum models as scalable and data-efficient architectures for natural language understanding.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗