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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 73 records · Page 4

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NASA NTRS1993

Neural-network-directed alignment of optical systems using the laser-beam spatial filter as an example

This report describes an effort at NASA Lewis Research Center to use artificial neural networks to automate the alignment and control of optical measurement systems. Specifically, it addresses the use of commercially available neural network software and hardware to direct alignments of the common laser-beam-smoothing spatial filter. The report presents a general approach for designing alignment records and combining these into training sets to teach optical alignment functions to neural networks and discusses the use of these training sets to train several types of neural networks. Neural network configurations used include the adaptive resonance network, the back-propagation-trained network, and the counter-propagation network. This work shows that neural networks can be used to produce robust sequencers. These sequencers can learn by example to execute the step-by-step procedures of optical alignment and also can learn adaptively to correct for environmentally induced misalignment. The long-range objective is to use neural networks to automate the alignment and operation of optical measurement systems in remote, harsh, or dangerous aerospace environments. This work also shows that when neural networks are trained by a human operator, training sets should be recorded, training should be executed, and testing should be done in a manner that does not depend on intellectual judgments of the human operator.

Decker, Arthur J.↗

DOE OSTI2025

Geometry-aware framework for deep energy method: An application to structural mechanics with hyperelastic materials

Here, in this work, we introduce a novel physics-informed framework named the Geometry-Aware Deep Energy Method (GADEM) for solving structural mechanics problems on different geometries. As the weak form of the physical system equation (or the energy-based approach) has demonstrated clear advantages compared to the strong form for solving solid mechanics problems, GADEM employs the weak form and aims to infer the solution on multiple shapes of geometries. Integrating a geometry-aware framework into an energy-based method results in an effective physics-informed deep learning model in terms of accuracy and computational cost. Different ways to represent the geometric information and to encode the geometric latent vectors are investigated in this work. We introduce a loss function of GADEM which is minimized based on the potential energy of all considered geometries. An adaptive learning method is also employed for the sampling of collocation points to enhance the performance of GADEM. We present some applications of GADEM to solve solid mechanics problems, including a loading simulation of a toy tire involving contact mechanics and large deformation hyperelasticity. The numerical results of this work demonstrate the remarkable capability of GADEM to infer the solution on various and new shapes of geometries using only one trained model.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

OmniXAS: A universal deep-learning framework for materials x-ray absorption spectra

X-ray absorption spectroscopy (XAS) is a powerful characterization technique for probing the local chemical environment of absorbing atoms. However, analyzing XAS data presents significant challenges, often requiring extensive, computationally intensive simulations, as well as significant domain expertise. These limitations hinder the development of fast, robust XAS analysis pipelines that are essential in high-throughput studies and for autonomous experimentation. Here, we address these challenges with OmniXAS, a framework that contains a suite of transfer learning approaches for XAS prediction, each uniquely contributing to improved accuracy and efficiency, as demonstrated on the K-edge spectra database covering eight 3⁢d transition metals (Ti–Cu). The OmniXAS framework is built upon three distinct strategies. First, we use M3GNet [Nat. Comput. Sci. 2, 718 (2022)] to derive latent representations of the local chemical environment of absorption sites as input for XAS prediction, achieving significant improvements over conventional featurization techniques. Second, we employ a hierarchical transfer learning strategy, training a universal multitask model across elements before fine-tuning for element-specific predictions. Models based on this cascaded approach after elementwise fine-tuning outperform element-specific models by up to 69%. Third, we implement cross-fidelity transfer learning, adapting a universal model to predict spectra generated by simulation of a different fidelity with a much higher computational cost. This approach improves prediction accuracy by up to 11% over models trained on the target fidelity alone. Our approach significantly boosts the throughput of XAS modeling by orders of magnitude as compared to first-principles simulations and is extendable to XAS prediction for a broader range of elements. The proposed transfer learning framework is generalizable to enhance deep-learning models that target other properties in materials research.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Protonation Dynamics of Confined Ethanol–Water Mixtures in H-ZSM-5 from Machine Learning-Driven Metadynamics

Zeolites are indispensable heterogeneous catalysts in industrial chemical processes, valued for their strong Brønsted acidity, well-defined microporous frameworks, and tunable pore structures. Their catalytic activity arises primarily from Brønsted acid sites (BAS), typically present as bridging hydroxyl groups (Si–OH–Al). Under aqueous reaction conditions, these protons interact dynamically with water and alcohol molecules, leading to complex solvation and protonation behavior within confined pores. In this study, we investigate the protonation equilibrium occurring between ethanol and water at the BAS of acidic zeolites under varying hydration levels, i.e., C2H5OH–(H2O)n, n=1–4. Local structure was analyzed through an adaptive-learning global optimization algorithm, while enhanced sampling molecular dynamics simulations with Well-Tempered Metadynamics (WMetaD) and machine learning interatomic potentials (MLPs) provide free-energy surfaces (FES) at variable hydration levels. The results reveal a strong dependence of proton localization on the degree of hydration. At low hydration (1 water molecule), the proton resides predominantly on ethanol; with 2 water molecules, it shifts toward water, and at higher hydration (3 or more water molecules), it becomes extensively delocalized over the water cluster. These findings underscore the critical role of solvation in modulating acid site behavior and suggest that a minimum of three water molecules is necessary to fully stabilize the proton on water within the zeolite framework. This solvation threshold has significant implications for catalytic processes, particularly in biomass conversion reactions where alcohol protonation is a key step in dehydration mechanisms.

machine learning↗

DOE OSTI2024

Pairing a Global Optimization Algorithm with EXAFS to Characterize Lanthanide Structure in Solution

Ensemble-average sampling of structures from ab initio molecular dynamics (AIMD) simulations can be used to predict theoretical extended X-ray absorption fine structure (EXAFS) signals that closely match experimental spectra. However, AIMD simulations are time-consuming and resource-intensive, particularly for solvated lanthanide ions, which often form multiple nonrigid geometries with high coordination numbers. Here, to accelerate the characterization of lanthanide structures in solution, we employed the Northwest Potential Energy Surface Search Engine (NWPEsSe), an adaptive-learning global optimization algorithm, to efficiently screen first-shell structures. As case studies, we examine two systems: Eu(NO 3 ) 3 dissolved in acetonitrile with a terpyridine ligand (terpyNO 2 ), and Nd(NO 3 ) 3 dissolved in acetonitrile. The theoretical spectra for structures identified by NWPEsSe were compared to both experimental and AIMD-derived EXAFS spectra. The NWPEsSe algorithm successfully identified the proper solvation structure for both Eu(NO 3 ) 3 (terpyNO 2 ) and Nd(NO 3 )(acetonitrile) 3 , with the calculated EXAFS signals closely matching the experimental spectra for the Eu-ligand complex and showing good similarity for the Nd salt; the better agreement with the ligand-containing structure is attributed to a less dynamic coordination environment due to the rigid ligand. The key advantage of the global optimization algorithm lies in its ability to sample the coordination environment across the potential energy surface and reduce the time required to identify structures from generally a month to within a week. Additionally, this approach is versatile and can be adapted to characterize main-group metal complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Emulation of Synaptic Plasticity in WO 3 ‐Based Ion‐Gated Transistors

Neuromorphic systems, inspired by the human brain, promise significant advancements in computational efficiency and power consumption by integrating processing and memory functions, thereby addressing the von Neumann bottleneck. This paper explores the synaptic plasticity of a WO3-based ion-gated transistor (IGT) in [EMIM][TFSI] and a 0.1 mol L −1 LiTFSI in [EMIM][TFSI] for neuromorphic computing applications. Cyclic voltammetry (CV), transistor characteristics, and atomic force microscopy (AFM) force–distance (FD) profiling analyses reveal that Li + brings about ion intercalation, together with higher mobility and conductance, and slower response time (τ). WO 3 IGTs exhibit spike amplitude-dependent plasticity (SADP), spike number-dependent plasticity (SNDP), spike duration-dependent plasticity (SDDP), frequency-dependent plasticity (FDP), and paired-pulse facilitation (PPF), which are all crucial for mimicking biological synaptic functions and understanding how to achieve different types of plasticity in the same IGT. The findings underscore the importance of selecting the appropriate ionic medium to optimize the performance of synaptic transistors, enabling the development of neuromorphic systems capable of adaptive learning and real-time processing, which are essential for applications in artificial intelligence (AI).

36 MATERIALS SCIENCE↗

DOE OSTI2025

A randomized sketching trust-region secant method for low-memory dynamic optimization

The numerical solution of dynamic optimization problems is often limited by the memory required to store the state trajectory, which is used to evaluate the objective function and its derivatives. Recently, [R. Muthukumar et al., SIAM Journal on Optimization 31(2), pp. 1242–1275 (2021)] introduced a trust-region method for dynamic optimization that employs randomized sketching to compress the state trajectory, resulting in inexact derivative computations. By adaptively learning the sketch rank, the trust-region algorithm achieves rigorous convergence guarantees. Here, we extend this approach to use secant Hessian approximations. Due to the randomness introduced by the sketch, the traditional secant update formulae can produce poor Hessian approximations. In particular, the difference of two gradients, computed from two different sketches, may be inconsistent. To overcome this, we employ a sketched approximation of the Hessian application, in lieu of computing the gradient difference. We numerically demonstrate the improved stability of this approach on an example from PDE-constrained optimization.

dynamic optimization↗

DOE OSTI2025

ACTIVE

The Automated Control Testbed for Integration, Verification, and Emulation (ACTIVE) framework is a software platform designed to support the optimized operation and management of a wide range of building types. It enables the development, testing, and validation of diverse control strategies, including AI-based, rule-based, and model-based approaches. The platform facilitates a seamless transition from simulation-based evaluation of control strategies to real-world field validation and deployment. ACTIVE supports the full building management lifecycle, encompassing data acquisition and management, system monitoring, optimized control, adaptive learning services, device dispatch and coordination, as well as advanced analytics and visualization. Together, these capabilities provide an integrated environment for improving building performance, operational efficiency, reducing energy cost, and reliability.

Smith, Robert [Oak Ridge National Laboratory (ORNL↗

NASA NTRS1988

Fourth Conference on Artificial Intelligence for Space Applications

Proceedings of a conference held in Huntsville, Alabama, on November 15-16, 1988. The Fourth Conference on Artificial Intelligence for Space Applications brings together diverse technical and scientific work in order to help those who employ AI methods in space applications to identify common goals and to address issues of general interest in the AI community. Topics include the following: space applications of expert systems in fault diagnostics, in telemetry monitoring and data collection, in design and systems integration; and in planning and scheduling; knowledge representation, capture, verification, and management; robotics and vision; adaptive learning; and automatic programming.

Odell, Stephen L.↗

NASA NTRS1991

Using fuzzy logic to integrate neural networks and knowledge-based systems

Outlined here is a novel hybrid architecture that uses fuzzy logic to integrate neural networks and knowledge-based systems. The author's approach offers important synergistic benefits to neural nets, approximate reasoning, and symbolic processing. Fuzzy inference rules extend symbolic systems with approximate reasoning capabilities, which are used for integrating and interpreting the outputs of neural networks. The symbolic system captures meta-level information about neural networks and defines its interaction with neural networks through a set of control tasks. Fuzzy action rules provide a robust mechanism for recognizing the situations in which neural networks require certain control actions. The neural nets, on the other hand, offer flexible classification and adaptive learning capabilities, which are crucial for dynamic and noisy environments. By combining neural nets and symbolic systems at their system levels through the use of fuzzy logic, the author's approach alleviates current difficulties in reconciling differences between low-level data processing mechanisms of neural nets and artificial intelligence systems.

Yen, John↗

NASA NTRS1991

Fuzzy Logic Path Planning System for Collision Avoidance by an Autonomous Rover Vehicle

Systems already developed at JSC have shown the benefits of applying fuzzy logic control theory to space related operations. Four major issues are addressed that are associated with developing an autonomous collision avoidance subsystem within a path planning system designed for application in a remote, hostile environment that does not lend itself well to remote manipulation of the vehicle involved through Earth-based telecommunication. A good focus for this is unmanned exploration of the surface of Mars. The uncertainties involved indicate that robust approaches such as fuzzy logic control are particularly appropriate. The four major issues addressed are: (1) avoidance of a single fuzzy moving obstacle; (2) back off from a dead end in a static obstacle environment; (3) fusion of sensor data to detect obstacles; and (4) options for adaptive learning in a path planning system.

Murphy, Michael G.↗

NASA NTRS1992

Sound transmission reduction with intelligent panel systems

Experimental and theoretical investigations are performed of the use of intelligent panel systems to control the sound transmission and radiation. An intelligent structure is defined as a structural system with integrated actuators and sensors under the guidance of an adaptive, learning type controller. The system configuration is based on the Active Structural Acoustic Control (ASAC) concept where control inputs are applied directly to the structure to minimize an error quantity related to the radiated sound field. In this case multiple piezoelectric elements are employed as sensors. The importance of optimal shape and location is demonstrated to be of the same order of influence as increasing the number of channels of control.

Fuller, Chris R.↗

NASA NTRS1992

Multi-layer holographic bifurcative neural network system for real-time adaptive EOS data analysis

Optical data processing techniques have the inherent advantage of high data throughout, low weight and low power requirements. These features are particularly desirable for onboard spacecraft in-situ real-time data analysis and data compression applications. The proposed multi-layer optical holographic neural net pattern recognition technique will utilize the nonlinear photorefractive devices for real-time adaptive learning to classify input data content and recognize unexpected features. Information can be stored either in analog or digital form in a nonlinear photorefractive device. The recording can be accomplished in time scales ranging from milliseconds to microseconds. When a system consisting of these devices is organized in a multi-layer structure, a feed forward neural net with bifurcating data classification capability is formed. The interdisciplinary research will involve the collaboration with top digital computer architecture experts at the University of Southern California.

Liu, Hua-Kuang↗

NASA NTRS1993

Multi-layer holographic bifurcative neural network system for real-time adaptive EOS data analysis

Optical data processing techniques have the inherent advantage of high data throughout, low weight and low power requirements. These features are particularly desirable for onboard spacecraft in-situ real-time data analysis and data compression applications. the proposed multi-layer optical holographic neural net pattern recognition technique will utilize the nonlinear photorefractive devices for real-time adaptive learning to classify input data content and recognize unexpected features. Information can be stored either in analog or digital form in a nonlinear photofractive device. The recording can be accomplished in time scales ranging from milliseconds to microseconds. When a system consisting of these devices is organized in a multi-layer structure, a feedforward neural net with bifurcating data classification capability is formed. The interdisciplinary research will involve the collaboration with top digital computer architecture experts at the University of Southern California.

Liu, Hua-Kuang↗

NASA NTRS2000

Multimodality Instrument for Tissue Characterization

A system with multimodality instrument for tissue identification includes a computer-controlled motor driven heuristic probe with a multisensory tip is discussed. For neurosurgical applications, the instrument is mounted on a stereotactic frame for the probe to penetrate the brain in a precisely controlled fashion. The resistance of the brain tissue being penetrated is continually monitored by a miniaturized strain gauge attached to the probe tip. Other modality sensors may be mounted near the probe tip to provide real-time tissue characterizations and the ability to detect the proximity of blood vessels, thus eliminating errors normally associated with registration of pre-operative scans, tissue swelling, elastic tissue deformation, human judgement, etc., and rendering surgical procedures safer, more accurate, and efficient. A neural network, program adaptively learns the information on resistance and other characteristic features of normal brain tissue during the surgery and provides near real-time modeling. A fuzzy logic interface to the neural network program incorporates expert medical knowledge in the learning process. Identification of abnormal brain tissue is determined by the detection of change and comparison with previously learned models of abnormal brain tissues. The operation of the instrument is controlled through a user friendly graphical interface. Patient data is presented in a 3D stereographics display. Acoustic feedback of selected information may optionally be provided. Upon detection of the close proximity to blood vessels or abnormal brain tissue, the computer-controlled motor immediately stops probe penetration.

Mah, Robert W.↗

NASA NTRS2002

A New Look at NASA: Strategic Research In Information Technology

This viewgraph presentation provides information on research undertaken by NASA to facilitate the development of information technologies. Specific ideas covered here include: 1) Bio/nano technologies: biomolecular and nanoscale systems and tools for assembly and computing; 2) Evolvable hardware: autonomous self-improving, self-repairing hardware and software for survivable space systems in extreme environments; 3) High Confidence Software Technologies: formal methods, high-assurance software design, and program synthesis; 4) Intelligent Controls and Diagnostics: Next generation machine learning, adaptive control, and health management technologies; 5) Revolutionary computing: New computational models to increase capability and robustness to enable future NASA space missions.

Alfano, David↗

NASA NTRS2004

An Approach to V&V of Embedded Adaptive Systems

Rigorous Verification and Validation (V&V) techniques are essential for high assurance systems. Lately, the performance of some of these systems is enhanced by embedded adaptive components in order to cope with environmental changes. Although the ability of adapting is appealing, it actually poses a problem in terms of V&V. Since uncertainties induced by environmental changes have a significant impact on system behavior, the applicability of conventional V&V techniques is limited. In safety-critical applications such as flight control system, the mechanisms of change must be observed, diagnosed, accommodated and well understood prior to deployment. In this paper, we propose a non-conventional V&V approach suitable for online adaptive systems. We apply our approach to an intelligent flight control system that employs a particular type of Neural Networks (NN) as the adaptive learning paradigm. Presented methodology consists of a novelty detection technique and online stability monitoring tools. The novelty detection technique is based on Support Vector Data Description that detects novel (abnormal) data patterns. The Online Stability Monitoring tools based on Lyapunov's Stability Theory detect unstable learning behavior in neural networks. Cases studies based on a high fidelity simulator of NASA's Intelligent Flight Control System demonstrate a successful application of the presented V&V methodology. ,

Liu, Yan↗

NASA NTRS2004

Multimodality instrument for tissue characterization

A system with multimodality instrument for tissue identification includes a computer-controlled motor driven heuristic probe with a multisensory tip. For neurosurgical applications, the instrument is mounted on a stereotactic frame for the probe to penetrate the brain in a precisely controlled fashion. The resistance of the brain tissue being penetrated is continually monitored by a miniaturized strain gauge attached to the probe tip. Other modality sensors may be mounted near the probe tip to provide real-time tissue characterizations and the ability to detect the proximity of blood vessels, thus eliminating errors normally associated with registration of pre-operative scans, tissue swelling, elastic tissue deformation, human judgement, etc., and rendering surgical procedures safer, more accurate, and efficient. A neural network program adaptively learns the information on resistance and other characteristic features of normal brain tissue during the surgery and provides near real-time modeling. A fuzzy logic interface to the neural network program incorporates expert medical knowledge in the learning process. Identification of abnormal brain tissue is determined by the detection of change and comparison with previously learned models of abnormal brain tissues. The operation of the instrument is controlled through a user friendly graphical interface. Patient data is presented in a 3D stereographics display. Acoustic feedback of selected information may optionally be provided. Upon detection of the close proximity to blood vessels or abnormal brain tissue, the computer-controlled motor immediately stops probe penetration. The use of this system will make surgical procedures safer, more accurate, and more efficient. Other applications of this system include the detection, prognosis and treatment of breast cancer, prostate cancer, spinal diseases, and use in general exploratory surgery.

Mah, Robert W.↗