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At least 163 records · Page 9

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DOE OSTI2025

Towards philosophical reasoning with agentic LLMs: Socratic method for scientific assistance

As large language models (LLMs) become central tools in science, improving their reasoning capabilities is critical for meaningful and trustworthy applications. We introduce a Socratic agent for scientific reasoning, implemented through a structured system prompt that guides LLMs via classical principles of inquiry. Unlike typical prompt engineering or retrieval-based methods, our approach leverages definition, analogy, hypothesis elimination, and other Socratic techniques to generate more coherent, critical, and domain-aware responses. We evaluate the agent across diverse scientific domains and benchmark it on the abstraction and reasoning corpus challenge dataset, achieving 97.15% under a fixed prompting protocol and without fine-tuning or external tools. Expert evaluation shows improved reasoning depth, clarity, and adaptability over conventional LLM outputs, suggesting that structured prompting rooted in philosophical reasoning can improve the scientific utility of language models.

LLM reasoning↗

DOE OSTI2024

GalaxyFlow: upsampling hydrodynamical simulations for realistic mock stellar catalogues

ABSTRACT Cosmological N-body simulations of galaxies operate at the level of ‘star particles’ with a mass resolution on the scale of thousands of solar masses. Turning these simulations into stellar mock catalogues requires ‘upsampling’ the star particles into individual stars following the same phase-space density. In this paper, we introduce two new upsampling methods. First, we describe GalaxyFlow, a sophisticated upsampling method that utilizes normalizing flows to both estimate the stellar phase-space density and sample from it. Secondly, we improve on existing upsamplers based on adaptive kernel density estimation (KDE), using maximum likelihood estimation to fine-tune the bandwidth for such algorithms in a way that improves both the density estimation accuracy and upsampling results. We demonstrate our upsampling techniques on a neighbourhood of the Solar location in two simulated galaxies: Auriga 6 and h277. Both yield smooth stellar distributions that closely resemble the stellar densities seen in the Gaia DR3 catalogue. Furthermore, we introduce a novel multimodel classifier test to compare the accuracy of different upsampling methods quantitatively. This test confirms that GalaxyFlow more accurately estimates the density of the underlying star particles than methods based on KDE, at the cost of being more computationally intensive.

Lim, Sung Hak (ORCID:0000000330981092)↗

NASA NTRS1985

Experiments in structural dynamics and control using a grid

Future spacecraft are being conceived that are highly flexible and of extreme size. The two features of flexibility and size pose new problems in control system design. Since large scale structures are not testable in ground based facilities, the decision on component placement must be made prior to full-scale tests on the spacecraft. Control law research is directed at solving problems of inadequate modelling knowledge prior to operation required to achieve peak performance. Another crucial problem addressed is accommodating failures in systems with smart components that are physically distributed on highly flexible structures. Parameter adaptive control is a method of promise that provides on-orbit tuning of the control system to improve performance by upgrading the mathematical model of the spacecraft during operation. Two specific questions are answered in this work. They are: What limits does on-line parameter identification with realistic sensors and actuators place on the ultimate achievable performance of a system in the highly flexible environment? Also, how well must the mathematical model used in on-board analytic redundancy be known and what are the reasonable expectations for advanced redundancy management schemes in the highly flexible and distributed component environment?

Montgomery, R. C.↗

NASA NTRS2002

Test Platform for Advanced Digital Control of Brushless DC Motors (MSFC Center Director's Discretionary Fund)

A FY 2001 Center Director's Discretionary Fund task to develop a test platform for the development, implementation. and evaluation of adaptive and other advanced control techniques for brushless DC (BLDC) motor-driven mechanisms is described. Important applications for BLDC motor-driven mechanisms are the translation of specimens in microgravity experiments and electromechanical actuation of nozzle and fuel valves in propulsion systems. Motor-driven aerocontrol surfaces are also being utilized in developmental X vehicles. The experimental test platform employs a linear translation stage that is mounted vertically and driven by a BLDC motor. Control approaches are implemented on a digital signal processor-based controller for real-time, closed-loop control of the stage carriage position. The goal of the effort is to explore the application of advanced control approaches that can enhance the performance of a motor-driven actuator over the performance obtained using linear control approaches with fixed gains. Adaptive controllers utilizing an exact model knowledge controller and a self-tuning controller are implemented and the control system performance is illustrated through the presentation of experimental results.

Gwaltney, D. A.↗

DOE OSTI2022

Reinforcement learning for online adaptation of model predictive controllers: Application to a selective catalytic reduction unit

Here we present a novel application of reinforcement learning (RL) for online dynamic tuning of model predictive controllers (MPC). Applying a state-action-reward-state-action (SARSA) algorithm for temporal difference learning with a control-specific reward function improves the error tracking performance of a standard MPC formulation. The proposed RL approach is also readily adaptable to other MPCs, or entirely different control approaches. Practical details for the implementation of the RL-MPC algorithm are also presented. The proposed algorithm is applied to a case study of controlling nitrogen oxide (NO x ) emissions in an industrial selective catalytic reduction (SCR) unit, a control problem characterized by significant nonlinearity and time delay. Along with an RL-MPC formulation for NOx control, another MPC is proposed to mitigate ammonia slip and decrease ammonia consumption in the SCR. Results showing the efficacy of the RL-MPC for NO x control through learning and implementation on the nonlinear SCR dynamic model are presented.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1985

Adaptive Inverse Control for Rotorcraft Vibration Reduction

This thesis extends the Least Mean Square (LMS) algorithm to solve the mult!ple-input, multiple-output problem of alleviating N/Rev (revolutions per minute by number of blades) helicopter fuselage vibration by means of adaptive inverse control. A frequency domain locally linear model is used to represent the transfer matrix relating the higher harmonic pitch control inputs to the harmonic vibration outputs to be controlled. By using the inverse matrix as the controller gain matrix, an adaptive inverse regulator is formed to alleviate the N/Rev vibration. The stability and rate of convergence properties of the extended LMS algorithm are discussed. It is shown that the stability ranges for the elements of the stability gain matrix are directly related to the eigenvalues of the vibration signal information matrix for the learning phase, but not for the control phase. The overall conclusion is that the LMS adaptive inverse control method can form a robust vibration control system, but will require some tuning of the input sensor gains, the stability gain matrix, and the amount of control relaxation to be used. The learning curve of the controller during the learning phase is shown to be quantitatively close to that predicted by averaging the learning curves of the normal modes. For higher order transfer matrices, a rough estimate of the inverse is needed to start the algorithm efficiently. The simulation results indicate that the factor which most influences LMS adaptive inverse control is the product of the control relaxation and the the stability gain matrix. A small stability gain matrix makes the controller less sensitive to relaxation selection, and permits faster and more stable vibration reduction, than by choosing the stability gain matrix large and the control relaxation term small. It is shown that the best selections of the stability gain matrix elements and the amount of control relaxation is basically a compromise between slow, stable convergence and fast convergence with increased possibility of unstable identification. In the simulation studies, the LMS adaptive inverse control algorithm is shown to be capable of adapting the inverse (controller) matrix to track changes in the flight conditions. The algorithm converges quickly for moderate disturbances, while taking longer for larger disturbances. Perfect knowledge of the inverse matrix is not required for good control of the N/Rev vibration. However it is shown that measurement noise will prevent the LMS adaptive inverse control technique from controlling the vibration, unless the signal averaging method presented is incorporated into the algorithm.

Jacklin, Stephen A.↗

DOE OSTI2025

Glyceraldehyde-3-phosphate dehydrogenase homologs as bifunctional gatekeepers of metabolic segregation in Pseudomonas putida

Metabolically versatile Pseudomonas species can assimilate various glycolytic and gluconeogenic substrates. Simultaneous assimilation is known to segregate carbons from each substrate type into different metabolic pathways. However, the mechanisms of this metabolic segregation remain unresolved. Here, we investigate Pseudomonas putida KT2440 during processing of the sugar glucose through glycolysis versus the phenolic acid ferulate through gluconeogenesis. Metabolome profiling reveals up to twofold less tricarboxylic acid cycle metabolites but up to 10-fold higher metabolites of upper glycolysis, pentose-phosphate, and Entner–Doudoroff pathways in glucose-grown cells compared to ferulate-grown cells. After 13C-substrate switching, kinetic isotopic profiling captures rapid assimilation of new substrate carbons into initial catabolic pathways, but incorporation into downstream pathways is absent or incomplete. Proteomics identifies a 22-fold higher abundance of one homolog of glyceraldehyde-3-phosphate dehydrogenase (GAPDH, GapA) in cells fed on glucose relative to ferulate, while abundance of another homolog (GapB) remains unchanged. Growth phenotypes and quantitative metabolomics for single and double knockout mutants of these GAPDH homologs indicate only GapA involvement in glycolytic flux, which can be compensated by the Entner–Doudoroff pathway, and distinct preference of GapB with minimal role of GapA for gluconeogenic flux. Accordingly, growth of triple knockout mutant with deletion of gapA, gapB, and edd is possible only when glycolytic and gluconeogenic substrates are provided together to meet metabolic demands in a segregated fashion, but metabolic tradeoffs lead to slow growth. A mathematical, experimentally constrained, model of the GAPDH node shows that tuning of GapA and GapB concentrations enables transition between flux regimes for nutritional adaptability.

Zhou, Nanqing [Northwestern University, Evanston]↗

NASA NTRS2004

Robust local search for spacecraft operations using adaptive noise

Randomization is a standard technique for improving the performance of local search algorithms for constraint satisfaction. However, it is well-known that local search algorithms are constraints satisfaction. However, it is well-known that local search algorithms are to the noise values selected. We investigate the use of an adaptive noise mechanism in an iterative repair-based planner/scheduler for spacecraft operations. Preliminary results indicate that adaptive noise makes the use of randomized repair moves safe and robust; that is, using adaptive noise makes it possible to consistently achieve, performance comparable with the best tuned noise setting without the need for manually tuning the noise parameter.

planning↗

NASA NTRSDate not supplied

Development of Concurrent Artificially-Intelligent Spectrometry and Adaptive Lidar System (CASALS) for Swath Mapping From Space

We present the design and performance of a Concurrent Artificially-intelligent Spectrometry and Adaptive Lidar System (CASALS) for 3D imaging from Space. With a single fast wavelength tuning laser, CASALS accomplishes a 1,200 resolvable spots swath mapping by grating dispersion wavelength steering. Any subset of these 1,200 spots can be selected by wavelength switching. The validation operating principle was accomplished and reported in IGASS-2022. With configurable base design, we report the designs and progress of the CASALS airplane campaign with 256 contiguous ground spots. It is accomplished with a single fast tuning lase at 1040-nm, 1.152MHz tuning rate, and pulse modulated 2-ns on each wavelength. Return pulses are mapped to an eight-pixel detector array with single-photon sensitivity. The lidar returns are time-multiplexed to two outputs that are digitized with two 1-GSPS-digitizer. A grating spectrometer rejects solar background noise spatially and spectrally. We are developing a 1040-nm CASALS intended for multiple LEO orbit missions: Earth Venture Mission on ESPA Grande, STV Mission on ESPA Grande SmallSat, STV Mission on spacecraft equivalent to ICESat power (SWaP,) and splitting the laser beam requires higher laser pulse energy.

ranging lidar↗

DOE OSTI2026

HydraGNN_GFM_FineTuning4Materials v1.0

This repository enables fine-tuning of the HydraGNN Predictive GFM 2026 — an open-source ensemble of pre-trained graph foundation models for atomistic materials modeling, developed at Oak Ridge National Laboratory. The GFM 2026 is freely available and downloadable via Globus from the OLCF Data Constellation (DOI: 10.13139/OLCF/2562660). Starting from these pre-trained weights, this repository provides a complete transfer learning pipeline for adapting the GFM ensemble to domain-specific molecular and materials property prediction tasks. It includes: 1) Utilities for ensemble fine-tuning with task-specific output heads 2) Example pipelines for eight widely-used materials and molecular datasets 3) Tools for model adaptation and head configuration 4) Data preprocessing utilities for each supported dataset 5) Benchmarking and evaluation scripts

Ungerboeck, Linda↗

DOE OSTI2026

Disentangling interlayer confinement and pore surface adsorption in functionalized smectites for tunable ethylene gas capture

Smectite-based adsorbents are increasingly being studied as sustainable packaging materials for scavenging ethylene, a plant hormone that accelerates fruit ripening. However, the mechanisms governing their uptake and retention remain poorly understood. Here, to tackle this question we systematically investigate ethylene gas-solid interactions in pristine, acid-activated, and choline-functionalized montmorillonites using a complementary combination of structural, gravimetric, and spectroscopic techniques, including inelastic neutron scattering. We experimentally distinguish ethylene populations associated with interlayer confinement, mesopore, and external surface adsorption. We show that chemical functionalization distinctly controls adsorption pathways: acid activation enhances total uptake by generating mesoporous adsorption sites and promoting partial interlayer intercalation, yielding capacities comparable to those of leading smectite-based adsorbents, while choline functionalization promotes preferential confinement and stabilization of guest molecules within the interlayer galleries. Advanced spectroscopic analysis provides molecular-level insight into confinement environments and interaction strengths. We also establish clear structure-property relationships by correlating uptake values derived from independent techniques, linking chemical modification, accessible adsorption domains, and retention behavior. These findings provide general design principles for tuning gas-solid interactions in functionalized layered silicates and highlight their potential as adaptable platforms for sustainable ethylene gas capture and selective adsorption technologies.

Ethylene adsorption mechanism↗

DOE OSTI2026

PowerModelsGAT-AI: Physics-Informed Graph Attention for Multi-System Power Flow With Continual Learning

Solving the alternating current power flow equations in real time is essential for secure grid operation, yet classical Newton–Raphson solvers can be slow under stressed conditions. Existing graph neural networks for power flow are typically trained on a single system and often degrade on different systems. We present PowerModelsGAT-AI, a physics-informed graph attention network that predicts bus voltages and generator injections. The model uses bus-type-aware masking to handle different bus types and balances multiple loss terms, including a power-mismatch penalty, using learned weights. We evaluate the model on 14 benchmark systems (4 to 6,470 buses) and train a unified model on 13 of these under contingency conditions with up to two branch outages, achieving an average normalized mean absolute error of 0.89% for voltage magnitudes and R 2 >0.99 for voltage angles. We also show continual learning: when adapting a base model to a new 1,354-bus system, standard fine-tuning causes severe forgetting with error increases exceeding 1000% on base systems, while our experience replay and elastic weight consolidation strategy keeps error increases below 2% and in some cases improves base-system performance. Interpretability analysis shows that learned attention weights correlate with physical branch parameters (susceptance: r=0.38 ; thermal limits: r=0.22 ), and feature importance analysis supports that the model captures established power flow relationships.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS1991

Spinoff From a Moon Suit

Al Gross transferred expertise obtained as an ILC engineer for NASA's Apollo program to the manufacture of athletic shoes. Gross substituted DuPont's Hytrel plastic for foam materials in the shoe's midsole, eliminating cushioning loss caused by body weight. An external pressurized shell applied from space suit technology was incorporated into the shoe. Stiffness and cushioning properties of the midsole were "tuned" by varying material thickness and styling lines. A stress free "blow molding" process adapted from NASA space suit design was also utilized. The resulting compression chamber midsole performed well in tests. It allows AVIA to re-configure for specific sports and is a "first step" toward a durable, foamless, non-fatiguing midsole.

Source record↗

NASA NTRS2015

Understanding and Evaluating Assurance Cases

Assurance cases are a method for providing assurance for a system by giving an argument to justify a claim about the system, based on evidence about its design, development, and tested behavior. In comparison with assurance based on guidelines or standards (which essentially specify only the evidence to be produced), the chief novelty in assurance cases is provision of an explicit argument. In principle, this can allow assurance cases to be more finely tuned to the specific circumstances of the system, and more agile than guidelines in adapting to new techniques and applications. The first part of this report (Sections 1-4) provides an introduction to assurance cases. Although this material should be accessible to all those with an interest in these topics, the examples focus on software for airborne systems, traditionally assured using the DO-178C guidelines and its predecessors. A brief survey of some existing assurance cases is provided in Section 5. The second part (Section 6) considers the criteria, methods, and tools that may be used to evaluate whether an assurance case provides sufficient confidence that a particular system or service is fit for its intended use. An assurance case cannot provide unequivocal "proof" for its claim, so much of the discussion focuses on the interpretation of such less-than-definitive arguments, and on methods to counteract confirmation bias and other fallibilities in human reasoning.

Rushby, John↗

NASA NTRS2020

Object and Gas Source Detection with Robotic Platforms in Perceptually-Degraded Environments

In exploration-oriented robotic missions for disaster relief in unknown subterranean environments, it is of prime importance for a human supervisor to rapidly gain situational awareness of salient objects within the environment. In this paper we present an automated object detection pipeline that is adaptable to heterogeneous robots with arbitrary sensor configurations. It has been deployed in time-critical scenarios with multiple collaborative robots in a variety of demanding underground environments. For visually observable objects, detections are made in both the visible and thermal spectra using a state-of-the-art machine learning framework for object detection and classification. Our pipeline can be rapidly adapted to a specific task by using a small, structured dataset to fine-tune a pre-trained convolutional neural network (CNN). Relative localization is separated from the CNN for speed of operation. A robust architecture for localization is used with outlier rejection and a hierarchy of fall-back distance measurement methods. Point-source objects such as gas and WiFi hotspots can also be detected, by tracking signal strength over time and presenting an intuitive visualization on a map. Observations of each object types are presented to the operator in ranked confidence order for final evaluation.

Agha-mohammadi, Ali-akbar↗

DOE OSTI2024

Project Title: Adaptive Vertical Grid Enhancement for E3SM (Final Technical Report)

During the first phase of the project (2018/05-2021/05), we proved the hypothesis that, without tuning, high vertical resolution improves the representation of unresolved, parameterized low altitude clouds such as stratocumulus clouds in global climate models. We evaluated the effectiveness of the newly developed computational framework, Framework for Improvement by Vertical Enhancement (FIVE) by implementing it into E3SM. FIVE aims to improve representation of the target cloud, low level cloud for this project, with use of a locally high vertical resolution for computation of selected processes. FIVE was assessed via direct comparison among E3SM, E3SM-FIVE, and satellite data as well as a newly developed ensemble artificial neural network methodology. We demonstrated that E3SM-FIVE remarkably improves marine stratocumulus representation. To advance the FIVE methodology, we took a first step toward the adaptive vertical grid in the FIVE method by modifying the E3SM single column model. For future application of FIVE to the global storm resolving model with a few km horizontal grid resolution, we developed the vertical-meridional two-dimensional (2D) Hadley circulation model, which allows one to run simulations with much higher vertical resolution and significantly longer duration than current three-dimensional global storm resolving model. During the second phase of the project (2021/05-2023/11; period for this technical report), we sought a way to appropriately transform FIVE to a regionalized version of FIVE, which allows one to select locations with/without FIVE. In parallel, we demonstrated that E3SM-FIVE with a 25-km mesh significantly reduced the bias associated with coastal stratocumulus. Furthermore, we showed that the same improvement was able to be obtained with the use of both the Regional Refined Model (RRM) targeted to one of the stratocumulus regions with 25-km resolution and FIVE. We explored a new implementation strategy of FIVE with our 2D Hadley circulation model. In parallel we applied the 2D Hadley circulation model to study the double intertropical convergence zone bias with storm resolving model resolution and aerosol-cloud interactions within the Hadley circulation with near large eddy simulation resolution. Last, we have been investigating Arctic mixed-phase stratocumulus clouds with large eddy simulations in order to improve their representation in global models. During the course of the entire project, 6 journal articles were published, and 3 manuscripts are currently in preparation. We gave a total of 30 presentations at various domestic and international conferences. In addition we gave 6 seminar talks at universities and a national laboratory. E3SM- FIVE is available as a branch of E3SM.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Adaptive Data-Driven Model Predictive Control for Heat Pipe Microreactors

To establish a technical basis for self-regulating microreactors, a model predictive control (MPC) system is investigated to proactively respond to anomalies and disturbances in anticipation of potential deviations from operating setpoints. Due to the difficulty of developing a physics-based surrogate model that can accurately match plant data in various operating conditions, machine learning algorithms are used in MPC, which allow for learning from both simulation and operation data, thus efficiently describing the targeted transient with arbitrary accuracy. However, one of the biggest concerns in applying ML algorithms like artificial neural networks (ANNs) is that the predictive capabilities of ANN are limited by training data. If there are gaps between the training and target domain, the accuracy of an ANN can degrade significantly when it is used to predict unseen data. To improve the predictive capability of ANN and enable a confident use of data-driven MPCs outside the training data, this study proposes an adaptive data-driven MPC framework. The system will monitor the discrepancy between plant responses and surrogate predictions, fine-tune the ANN-based surrogate when a large discrepancy is detected, and continue MPC operation with updated surrogates. The framework is demonstrated on a point kinetic model for microreactors. The hyperparameters of the update strategy, including layers to update, error thresholds, learning rate discount, and number of data points used for fine-tuning, are optimized so the simulated microreactor is able to follow changes in setpoint with the smallest of deviations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

Adaptable Data Driven Model Predictive Control for Heat Pipe Microreactors

22 GENERAL STUDIES OF NUCLEAR REACTORS↗