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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Continental-Scale Controls on Hyporheic Respiration Revealed by Knowledge-Guided Machine Learning

Hyporheic zone sediments regulate organic matter turnover and in-stream respiration, yet controls on sediment respiration remain poorly constrained across heterogeneous river networks, limiting prediction of stream metabolism and carbon processing at continental scales. Here, we integrate observations from ~90 river corridors across the United States in the WHONDRS consortium with a knowledge-guided machine learning (KGML) framework that couples thermodynamic rate theory with machine learning to identify dominant controls on hyporheic respiration. Diagnostic analyses show that organic matter concentration and thermodynamic favorability define an upper bound on respiration potential, whereas biological catalytic capacity and physical accessibility jointly govern realized respiration rates through interaction effects. To represent unmeasurable accessibility constraints, we use the mechanistic model as a scaffold for KGML, allowing machine learning to target residual structure not explained by process theory. This hybrid framework improves predictive skill relative to both the mechanistic model alone and fully data-driven models while preserving interpretability. These results indicate that variability in hyporheic respiration is largely mechanistically structured and demonstrate how integrating process theory with explainable AI enhances predictive performance while enabling scalable synthesis of river corridor observations.

Zheng, Jianqiu↗
NASA NTRS2006

Improving Grasp Skills Using Schema Structured Learning

Abstract In the control-based approach to robotics, complex behavior is created by sequencing and combining control primitives. While it is desirable for the robot to autonomously learn the correct control sequence, searching through the large number of potential solutions can be time consuming. This paper constrains this search to variations of a generalized solution encoded in a framework known as an action schema. A new algorithm, SCHEMA STRUCTURED LEARNING, is proposed that repeatedly executes variations of the generalized solution in search of instantiations that satisfy action schema objectives. This approach is tested in a grasping task where Dexter, the UMass humanoid robot, learns which reaching and grasping controllers maximize the probability of grasp success.

Platt, Robert↗
DOE OSTI2026

Optimization of the FRIB beam dump: a hybrid genetic algorithm and reinforcement learning approach

The operational envelope of high-power-density systems, such as particle accelerators and advanced nuclear energy systems, is critically constrained by the need to manage extreme thermal loads. To address this, we present a novel hybrid optimization framework combining a genetic algorithm (GA) with a soft actor-critic (SAC) deep reinforcement learning agent. This framework was applied to a practical high-heat-flux problem: redesigning the beam dump at the Facility for Rare Isotope Beams (FRIB) for a power upgrade from 20 kW to 50 kW. The resulting design, validated by three-dimensional conjugate heat transfer simulations, suppresses hazardous hot spots and yields a markedly more uniform temperature distribution. This provides a robust operating margin, increasing the average power-handling capability by 72% relative to the current design, demonstrating the framework’s potential to solve complex thermal management challenges in both accelerator technology and advanced nuclear systems.

Accelerator↗
DOE OSTI2023

Exploring the impact of ions on oxygen K-edge X-ray absorption spectroscopy in NaCl solution using the GW-Bethe-Salpeter-equation approach

X-ray absorption spectroscopy (XAS) is a powerful experimental tool to probe the local structure in materials with the core hole excitations. Here, the oxygen K-edge XAS spectra of the NaCl solution and pure water are computed by using a recently developed GW-Bethe-Salpeter equation approach, based on configurations modeled by path-integral molecular dynamics with the deep-learning technique. The neural network is trained on ab initio data obtained with strongly constrained and appropriately normed density functional theory. The observed changes in the XAS features of the NaCl solution, compared to those of pure water, are in good agreement between experimental and theoretical results. We provided detailed explanations for these spectral changes that occur when NaCl is solvated in pure water. Specifically, the presence of solvating ion pairs leads to localization of electron-hole excitons. As a result, our theoretical XAS results support the theory that the effects of the solvating ions on the H-bond network are mainly confined within the first hydration shell of ions, however beyond the shell the arrangement of water molecules remains to be comparable to that observed in pure water.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

J-PLUS: Support vector machine applied to STAR-GALAXY-QSO classification

Context. In modern astronomy, machine learning has proved to be efficient and effective in mining big data from the newest telescopes. Aims. In this study, we construct a supervised machine-learning algorithm to classify the objects in the Javalambre Photometric Local Universe Survey first data release (J-PLUS DR1). Methods. The sample set is featured with 12-waveband photometry and labeled with spectrum-based catalogs, including Sloan Digital Sky Survey spectroscopic data, the Large Sky Area Multi-Object Fiber Spectroscopic Telescope, and VERONCAT – the Veron Catalog of Quasars & AGN. The performance of the classifier is presented with the applications of blind test validations based on RAdial Velocity Extension, the Kepler Input Catalog, the Two Micron All Sky Survey Redshift Survey, and the UV-bright Quasar Survey. A new algorithm was applied to constrain the potential extrapolation that could decrease the performance of the machine-learning classifier. Results. The accuracies of the classifier are 96.5% in the blind test and 97.0% in training cross-validation. The F1-scores for each class are presented to show the balance between the precision and the recall of the classifier. We also discuss different methods to constrain the potential extrapolation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Design-Technology Co-Optimization for NVM-based Neuromorphic Processing Elements

An emerging use-case of machine learning (ML) is to train a model on a high-performance system and deploy the trained model on energy-constrained embedded systems. Neuromorphic hardware platforms, which operate on principles of the biological brain, can significantly lower the energy overhead of a machine learning inference task, making these platforms an attractive solution for embedded ML systems. In this paper, we present a design-technology tradeoff analysis to implement such inference tasks on the processing elements (PEs) of a Non-Volatile Memory (NVM)-based neuromorphic hardware. Through detailed circuit-level simulations at scaled process technology nodes, we show the negative impact of technology scaling on the information-processing latency, which impacts the quality-of-service (QoS) of an embedded ML system. At a finer granularity, the latency inside a PE depends on 1) the delay introduced by parasitic components on its current paths, and 2) the varying delay to sense different resistance states of its NVM cells. Based on these two observations, we make the following three contributions. First, on the technology front, we propose an optimization scheme where the NVM resistance state that takes the longest time to sense is set on current paths having the least delay, and vice versa, reducing the average PE latency, which improves the QoS. Second, on the architecture front, we introduce isolation transistors within each PE to partition it into regions that can be individually power-gated, reducing both latency and energy. Finally, on the system-software front, we propose a mechanism to leverage the proposed technological and architectural enhancements when implementing a machine-learning inference task on neuromorphic PEs of the hardware. Evaluations with a recent neuromorphic hardware architecture show that our proposed design-technology co-optimization approach improves both performance and energy efficiency of machine-learning inference tasks without incurring high cost-per-bit.

42 ENGINEERING↗
DOE OSTI2023

Group-equivariant autoencoder for identifying spontaneously broken symmetries

We introduce the group-equivariant autoencoder (GE autoencoder), a deep neural network (DNN) method that locates phase boundaries by determining which symmetries of the Hamiltonian have spontaneously broken at each temperature. We use group theory to deduce which symmetries of the system remain intact in all phases, and then use this information to constrain the parameters of the GE autoencoder such that the encoder learns an order parameter invariant to these “never-broken” symmetries. This procedure produces a dramatic reduction in the number of free parameters such that the GE-autoencoder size is independent of the system size. We include symmetry regularization terms in the loss function of the GE autoencoder so that the learned order parameter is also equivariant to the remaining symmetries of the system. By examining the group representation by which the learned order parameter transforms, we are then able to extract information about the associated spontaneous symmetry breaking. We test the GE autoencoder on the 2D classical ferromagnetic and antiferromagnetic Ising models, finding that the GE autoencoder (1) accurately determines which symmetries have spontaneously broken at each temperature; (2) estimates the critical temperature in the thermodynamic limit with greater accuracy, robustness, and time efficiency than a symmetry-agnostic baseline autoencoder; and (3) detects the presence of an external symmetry-breaking magnetic field with greater sensitivity than the baseline method. Lastly, we describe various key implementation details, including a quadratic-programming-based method for extracting the critical temperature estimate from trained autoencoders and calculations of the DNN initialization and learning rate settings required for fair model comparisons.

42 ENGINEERING↗
DOE OSTI2023

Robust Resilient Signal Reconstruction under Adversarial Attacks

We consider the problem of signal reconstruction for a system under sparse signal corruption by a malicious agent. The reconstruction problem follows the standard error coding problem that has been studied extensively in the literature. We include a new challenge of robust estimation of the attack support. The problem is then cast as a constrained optimization problem merging promising techniques in the area of deep learning and estimation theory. A pruning algorithm is developed to reduce the "false positive" uncertainty of data-driven attack localization results, thereby improving the probability of correct signal reconstruction. Sufficient conditions for the correct reconstruction and the associated reconstruction error bounds are obtained for both exact and inexact attack support estimation. Moreover, a simulation of a water distribution system is presented to validate the proposed techniques.

Robust, Signal reconstruction, Resilient estimator↗
NASA NTRS2024

Shape Servoing of Deformable Objects Using Model Estimation and Barrier Lyapunov Function

An adaptive shape servoing control method is presented in this article to manipulate a deformable object into a desired shape in 3-D. A finite-point-based representation of the deformable object is used and the deformation Jacobian matrix is approximated using Fourier series basis functions. The unknown parameters of the deformation Jacobian are learned by using the velocity applied to a control point on the object and corresponding change of positions of the points describing the entire object. An integral concurrent learning (ICL)-based parameter update law is designed along with a constrained controller to satisfy the state constraints on the motion of the control point using Barrier Lyapunov function analysis. ICL-based parameter update law uses data history of velocity and corresponding positions of the points along with their current values. An efficient algorithm to update the history stack using singular value maximization is proposed based on the structure of the regressor matrix. Simulations using a physical simulator and experiments using a robot platform are performed to validate the performance of the proposed controller on two different deformable objects.

Vrithik Raj Guthikonda↗
DOE OSTI2026

Learning neural representations for X-ray ptychography reconstruction with unknown probes

X-ray ptychography provides exceptional nanoscale resolution and is widely applied in materials science, biology, and nanotechnology. However, its full potential is constrained by the critical challenge of accurately reconstructing images when the illuminating probe is unknown. Conventional iterative methods and deep learning approaches are often suboptimal, particularly under the low-signal conditions inherent to low-dose and high-speed experiments. These limitations compromise reconstruction fidelity and restrict the broader adoption of the technique. In this work, we introduce the Ptychographic Implicit Neural Representation (PtyINR), a self-supervised framework that simultaneously addresses the object- and probe-recovery problem. By parameterizing both as continuous neural representations, PtyINR performs end-to-end reconstruction directly from raw diffraction patterns without requiring any pre-characterization of the probe. Extensive evaluations demonstrate that PtyINR achieves superior reconstruction quality on both simulated and experimental data, with remarkable robustness under challenging low-signal conditions. Furthermore, PtyINR offers a generalizable, physics-informed framework for addressing probe-dependent inverse problems, making it applicable to a wide range of computational microscopy problems.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Uncertainty propagation and sensitivity analysis for constrained optimization of nuclear waste vitrification

Abstract The vitrification of high‐level waste (HLW) by heating a mixture of glass‐forming chemicals (GFCs) with the waste can be improved using a constrained optimization problem. This study explores how different uncertainty propagation (UP) methods implemented with the optimization process can affect the glass formulation of nuclear waste glasses. UP is the effort of propagating uncertain inputs through a system to understand and quantify output distributions. Uncertainty intervals are crafted from output distributions to inform the optimization algorithm. UP is often implemented with Monte Carlo (MC) sampling for large nonlinear systems, which can be difficult to implement within a constrained optimization algorithm that requires derivative information. Other UP methods often used for optimization under uncertainty (OUU) can be designed to work within an established constrained optimization framework. Methods of UP are evaluated in this study including iterative sampling approaches, first‐order approximations, and surrogate modeling with machine learning (ML). A method of dimensional reduction based on global sensitivity analysis is introduced to support the UP methods for the large dimensionality of the problem. Analytical UP methods able to achieve similar optimums 10 times faster than the baseline MC approach, and produce 93.9% similar output distributions are reported.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Event Selection in the MicroBooNE Deep Learning Based Low Energy Excess Analysis Using Two-Body Scattering Criteria

The uniquely detailed neutrino event information from liquid argon time projection chambers allows reconstruction of a set of kinematic quantities that over-constrain the expectations for charged current quasielastic scattering (CCQE). MicroBooNE makes use of the CCQE consistency requirements in a deep-learning-based search for the MiniBooNE low energy excess analysis. This requirement rejects backgrounds as well as events with poorly reconstructed neutrino energy due to final state interactions of the outgoing proton. The results presented here demonstrate the quality of the selection of $\nu_e$ and $\nu_µ$ events. We show excellent agreement between the data and the simulation across many data sets. This positions us to be ready to unblind the MicroBooNE low energy excess analysis in the very near future.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Knowledge-guided machine learning can improve carbon cycle quantification in agroecosystems

Abstract Accurate and cost-effective quantification of the carbon cycle for agroecosystems at decision-relevant scales is critical to mitigating climate change and ensuring sustainable food production. However, conventional process-based or data-driven modeling approaches alone have large prediction uncertainties due to the complex biogeochemical processes to model and the lack of observations to constrain many key state and flux variables. Here we propose a Knowledge-Guided Machine Learning (KGML) framework that addresses the above challenges by integrating knowledge embedded in a process-based model, high-resolution remote sensing observations, and machine learning (ML) techniques. Using the U.S. Corn Belt as a testbed, we demonstrate that KGML can outperform conventional process-based and black-box ML models in quantifying carbon cycle dynamics. Our high-resolution approach quantitatively reveals 86% more spatial detail of soil organic carbon changes than conventional coarse-resolution approaches. Moreover, we outline a protocol for improving KGML via various paths, which can be generalized to develop hybrid models to better predict complex earth system dynamics.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2010

Exploiting Expertise and Knowledge Sharing Online for the Benefit of NASA's GN&C Community of Practice

In 2004, NASA faced major knowledge sharing challenges due to geographically isolated field centers that inhibited engineers from sharing their experiences, expertise, ideas, and lessons learned. The necessity to collaborate on complex development projects and the reality of constrained project resources together drove the need for ensuring that personnel at all NASA centers had comparable skill sets and that engineers could find resources in a timely fashion. Mission failures and new directions for the Agency also demanded better collaborative tools for NASA's engineering workforce. In response to these needs, the online NASA Engineering Network (NEN) was formed by the NASA Office of the Chief Engineer to provide a multi-faceted system for overcoming geographic and cultural barriers. NEN integrates communities of practice with a cross-repository search and the Lessons Learned Information System. This paper describes the features of the GN&C engineering discipline CoP site which went live on NEN in May of 2008 as an online means of gathering input and guidance from practitioners. It allows GN&C discipline expertise captured at one field center to be shared in a collaborative way with the larger discipline CoP spread across the entire Agency. The site enables GN&C engineers to find the information they need quickly, to find solutions to questions from experienced engineers, and to connect with other practitioners regardless of geographic location, thus increasing the probability of project success.

control↗
DOE OSTI2026

Challenges and Vision for Standardization of Biopolymer Data Sets for Machine Learning

Machine learning (ML) is transforming materials research, yet potential for biopolymer discovery remains constrained by fragmented data and nonstandardized reporting. Biopolymers differ significantly from synthetic polymers, requiring specialized approaches to represent their biosynthetic origins, hierarchical structures, and application-specific metrics. In this Perspective, we identify three core challenges limiting biopolymer representation: information encoding, data quality, and data sharing. We describe the most pressing issues and propose commensurate approaches to address each key challenge. Recommendations include the design and adoption of biopolymer-specific fingerprinting and representation frameworks, development of hybrid human-large language model (LLM) data extraction strategies, and expanding Findable, Accessible, Interoperable, Reusable (FAIR)-compliant repositories. We propose a robust foundation to define interoperable, high-quality data sets that capture the full context of biopolymer materials. Standardized metadata, shared ontologies, and community-driven infrastructure would enable scalable, reproducible workflows and accelerate the ML-driven development of biopolymers.

36 MATERIALS SCIENCE↗
DOE OSTI2020

One-component order parameter in URu 2 Si 2 uncovered by resonant ultrasound spectroscopy and machine learning

The unusual correlated state that emerges in URu 2 Si 2 below T HO = 17.5 K is known as “hidden order” because even basic characteristics of the order parameter, such as its dimensionality (whether it has one component or two), are “hidden.” We use resonant ultrasound spectroscopy to measure the symmetry-resolved elastic anomalies across T HO . We observe no anomalies in the shear elastic moduli, providing strong thermodynamic evidence for a one-component order parameter. We develop a machine learning framework that reaches this conclusion directly from the raw data, even in a crystal that is too small for traditional resonant ultrasound. Our result rules out a broad class of theories of hidden order based on two-component order parameters, and constrains the nature of the fluctuations from which unconventional superconductivity emerges at lower temperature. Our machine learning framework is a powerful new tool for classifying the ubiquitous competing orders in correlated electron systems.

42 ENGINEERING↗
NASA NTRS2008

Lessons Learned

This paper is organized around three themes that have interested me over my career: covariance analysis, constrained estimation, and angular momentum. Both analytical and numerical approaches to covariance analysis are discussed. The section on constraints begins with general considerations arising from the nature of the rotation group before moving to Wahba's Problem and quaternion Kalman filters. The discussion of angular momentum includes its use in attitude determination and control as well as in the detection and diagnosis of spacecraft anomalies. Relevant illustrative examples are included.

Markley, F. Landis↗
DOE OSTI2024

First application of a liquid argon time projection chamber for the search for intranuclear neutron-antineutron transitions and annihilation in 40 Ar using the MicroBooNE detector

We present a novel methodology to search for intranuclear neutron-antineutron transition (n→n̅) followed by n̅-nucleon annihilation within an 40 Ar nucleus, using the MicroBooNE liquid argon time projection chamber (LArTPC) detector. A discovery of n→n̅ transition or a new best limit on the lifetime of this process would either constitute physics beyond the Standard Model or greatly constrain theories of baryogenesis, respectively. The approach presented in this paper makes use of deep learning methods to select n→n̅ events based on their unique features and differentiate them from cosmogenic backgrounds. The achieved signal and background efficiencies are (70.22 ± 6.04)% and (0.0020 ± 0.0003)%, respectively. A demonstration of a search is performed with a data set corresponding to an exposure of 3.32 ×10 26 neutron-years, and where the background rate is constrained through direct measurement, assuming the presence of a negligible signal. With this approach, no excess of events over the background prediction is observed, setting a demonstrative lower bound on the n→n̅ lifetime in 40 Ar of τ m ≳ 1.1×10 26 years, and on the free n→n̅ transition time of τ n→n̅ ≳ 2.6×10 5 s, each at the 90% confidence level. This analysis represents a first-ever proof-of-principle demonstration of the ability to search for this rare process in LArTPCs with high efficiency and low background.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗