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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 559 records · Page 31

ACES-GNN: can graph neural network learn to explain activity cliffs?

Graph Neural Networks (GNNs) have revolutionized molecular property prediction by leveraging graph-based representations, yet their opaque decision-making processes hinder broader adoption in drug discovery. This study introduces the Activity-Cliff-Explanation-Supervised GNN (ACES-GNN) framework, designed to simultaneously improve predictive accuracy and interpretability by integrating explanation supervision for activity cliffs (ACs) into GNN training. ACs, defined by structurally similar molecules with significant potency differences, pose challenges for traditional models due to their reliance on shared structural features. By aligning model attributions with chemist-friendly interpretations, the ACES-GNN framework bridges the gap between prediction and explanation. Validated across 30 pharmacological targets, ACES-GNN consistently enhances both predictive accuracy and attribution quality for ACs compared to unsupervised GNNs. Our results demonstrate a positive correlation between improved predictions and accurate explanations, offering a robust and adaptable framework to better understand and interpret ACs. This work underscores the potential of explanation-guided learning to advance interpretable artificial intelligence in molecular modeling and drug discovery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Deep Learning Models for Planetary Seismicity Detection

Research in planetary seismology is fundamentally constrained by a lack of data. Seismo-logical science products of future missions can typically only be informed by theoretical signal/noise characteristics of the environment or likely Earth-analogues. Although objectives can be re-assessed after some initial data-collection upon lander arrival, transfer of high-resolution data back to Earth is costly on lander power usage. Over the last several years, development of GPU computing techniques and open-source high-level APIs have led to rapid advances in deep learning within the fields of computer vision, natural language processing, and collaborative filtering. These techniques are actively being adapted in seismology for a variety of tasks, including: earthquake detection, seismic phase discrimination, and ground-motion prediction. Until the recent detection of mars quakes during the Mars InSight mission, the only other measurements of seismicity recorded outside of Earth was on the Moon during the Apollo missions between 1969 to 1977. These unique data sets have been periodically revisited using new seismological methods, including ambient noise interferometry and Hidden Markov Models. Our objective is to develop a deep learning seismic detector and use it to catalog moonquakes from the Apollo 17 Lunar Seismic Profiling Experiment (LSPE) and compare the results with those obtained by other methods. Additionally, we will assess the accuracy tradeoff between using a training set of lunar data and one composed of Earth seismicity. In this document, we present preliminary results using a prototype classifier trained on a small set of earthquakes that was able to obtain detections for LSPE moonquakes with a greater accuracy than a recent study using Hidden Markov Models.

Civilini, F.↗

Reactive behavior, learning, and anticipation

Reactive systems always act, thinking only long enough to 'look up' the action to execute. Traditional planning systems think a lot, and act only after generating fairly precise plans. Each represents an endpoint on a spectrum. It is argued that primitive forms of reasoning, like anticipation, play an important role in reducing the cost of learning and that the decision to act or think should be based on the uncertainty associated with the utility of executing an action in a particular situation. An architecture for an adaptable reactive system is presented and it is shown how it can be augmented with a simple anticipation mechanism that can substantially reduce the cost and time of learning.

Whitehead, Steven D.↗

The ReSWARM microgravity flight experiments: Planning, control, and model estimation for on‐orbit close proximity operations

Abstract On‐orbit close proximity operations involve robotic spacecraft maneuvering and making decisions for a growing number of mission scenarios demanding autonomy, including on‐orbit assembly, repair, and astronaut assistance. Of these scenarios, on‐orbit assembly is an enabling technology that will allow large space structures to be built in situ, using smaller building block modules. However, like many of these scenarios, robotic on‐orbit assembly involves several technical hurdles, such as changing system models. For instance, grappled modules moved by a free‐flying “assembler” robot can cause significant changes in the combined system inertia, which have cascading impacts on motion planning and control portions of the autonomy stack. Further, on‐orbit assembly and other scenarios require collision‐avoiding motion planning, particularly when operating in a “construction site” scenario of multiple assembler robots and structures. Multiple key technologies that address these complicating factors for autonomous microgravity close proximity operations are detailed in this work, in particular: (1) application of global long‐horizon planning, accomplished using offline and online sampling‐based planner options that consider the system dynamics; (2) adaptation of the recently proposed RATTLE information‐aware planning framework for on‐orbit reconfiguration model learning; and (3) connection with robust control tools to provide low‐level control robustness using current system knowledge. These approaches were demonstrated for an autonomous on‐orbit assembly use case by the RElative Satellite sWarming and Robotic Maneuvering (ReSWARM) experiments using NASA's Astrobee robots on the International Space Station. Results of the ReSWARM experiments are provided along with significant operational and implementation detail discussing the practicalities of hardware implementation and unique aspects of working with the Astrobee free‐flyer robots in microgravity. ReSWARM provides a base set of planning and control tools for robotic close proximity operations, demonstrates them in microgravity, and outlines some of the important hardware aspects that future autonomous free‐flyers will need to consider.

Robotics↗

MSFC Skylab Multiple Docking Adapter, Volume 1

The history is presented of the development of the Skylab Multiple Docking Adapter from initial concept through its final design, related test programs, mission performance, and lessons learned.

Source record↗

The Evaluation of Machine Learning Techniques for Isotope Identification Contextualized by Training and Testing Spectral Similarity

Precise gamma-ray spectral analysis is crucial in high-stakes applications, such as nuclear security. Research efforts toward implementing machine learning (ML) approaches for accurate analysis are limited by the resemblance of the training data to the testing scenarios. The underlying spectral shape of synthetic data may not perfectly reflect measured configurations, and measurement campaigns may be limited by resource constraints. Consequently, ML algorithms for isotope identification must maintain accurate classification performance under domain shifts between the training and testing data. To this end, four different classifiers (Ridge, Random Forest, Extreme Gradient Boosting, and Multilayer Perceptron) were trained on the same dataset and evaluated on twelve other datasets with varying standoff distances, shielding, and background configurations. A tailored statistical approach was introduced to quantify the similarity between the training and testing configurations, which was then related to the predictive performance. Wilcoxon signed-rank tests revealed that the OVR-wrapped XGB significantly outperformed the other algorithms, with confidence levels of 99.0% or above for the 133Ba, 60Co, 137Cs, and 152Eu sources. The findings from this work are significant as they outline techniques to promote the development of robust ML-based approaches for isotope identification.

domain adaptation↗

Neural operators for stochastic modeling of nonlinear structural system response to natural hazards

Traditionally, neural networks have been employed to learn the mapping between finite-dimensional Euclidean spaces. However, recent research has opened up new horizons, focusing on the utilization of deep neural networks to learn operators capable of mapping infinite-dimensional function spaces. Here, in this work, we employ two state-of-the-art neural operators, the deep operator network (DeepONet) and the Fourier neural operator (FNO) for the prediction of the nonlinear time history response of structural systems exposed to natural hazards, such as earthquakes and windstorms. Specifically, we propose two architectures, a self-adaptive FNO and a fast Fourier transform-based DeepONet (DeepFNOnet), where we employ a FNO beyond the DeepONet to learn the discrepancy between the ground truth and the solution predicted by the DeepONet. To demonstrate the efficiency and applicability of the architectures, two problems are considered. In the first, we use the proposed model to predict the seismic nonlinear dynamic response of a six-story shear building subject to stochastic ground motions. In the second problem, we employ the operators to predict the wind-induced nonlinear dynamic response of a high-rise building while explicitly accounting for the stochastic nature of the wind excitation. In both cases, the trained metamodels achieve high accuracy while being orders of magnitude faster than their corresponding high-fidelity models.

DeepONet↗

Feature Acquisition with Imbalanced Training Data

This work considers cost-sensitive feature acquisition that attempts to classify a candidate datapoint from incomplete information. In this task, an agent acquires features of the datapoint using one or more costly diagnostic tests, and eventually ascribes a classification label. A cost function describes both the penalties for feature acquisition, as well as misclassification errors. A common solution is a Cost Sensitive Decision Tree (CSDT), a branching sequence of tests with features acquired at interior decision points and class assignment at the leaves. CSDT's can incorporate a wide range of diagnostic tests and can reflect arbitrary cost structures. They are particularly useful for online applications due to their low computational overhead. In this innovation, CSDT's are applied to cost-sensitive feature acquisition where the goal is to recognize very rare or unique phenomena in real time. Example applications from this domain include four areas. In stream processing, one seeks unique events in a real time data stream that is too large to store. In fault protection, a system must adapt quickly to react to anticipated errors by triggering repair activities or follow- up diagnostics. With real-time sensor networks, one seeks to classify unique, new events as they occur. With observational sciences, a new generation of instrumentation seeks unique events through online analysis of large observational datasets. This work presents a solution based on transfer learning principles that permits principled CSDT learning while exploiting any prior knowledge of the designer to correct both between-class and withinclass imbalance. Training examples are adaptively reweighted based on a decomposition of the data attributes. The result is a new, nonparametric representation that matches the anticipated attribute distribution for the target events.

Thompson, David R.↗

Case-Based Capture and Reuse of Aerospace Design Rationale

The goal of this project is to apply artificial intelligence techniques to facilitate capture and reuse of aerospace design rationale. The project applies case-based reasoning (CBR) and concept mapping (CMAP) tools to the task of capturing, organizing, and interactively accessing experiences or "cases" encapsulating the methods and rationale underlying expert aerospace design. As stipulated in the award, Indiana University and Ames personnel are collaborating on performance of research and determining the direction of research, to assure that the project focuses on high-value tasks. In the first five months of the project, we have made two visits to Ames Research Center to consult with our NASA collaborators, to learn about the advanced aerospace design tools being developed there, and to identify specific needs for intelligent design support. These meetings identified a number of task areas for applying CBR and concept mapping technology. We jointly selected a first task area to focus on: Acquiring the convergence criteria that experts use to guide the selection of useful data from a set of numerical simulations of high-lift systems. During the first funding period, we developed two software systems. First, we have adapted a CBR system developed at Indiana University into a prototype case-based reasoning shell to capture and retrieve information about design experiences, with the sample task of capturing and reusing experts' intuitive criteria for determining convergence (work conducted at Indiana University). Second, we have also adapted and refined existing concept mapping tools that will be used to clarify and capture the rationale underlying those experiences, to facilitate understanding of the expert's reasoning and guide future reuse of captured information (work conducted at the University of West Florida). The tools we have developed are designed to be the basis for a general framework for facilitating tasks within systems developed by the Advanced Design Technologies Testbed (ADTT) project at ARC. The tenets of our framework are (1) that the systems developed should leverage a designer's knowledge, rather than attempting to replace it; (2) that learning and user feedback must play a central role, so that the system can adapt to how it is used, and (3) that the learning and feedback processes must be as natural and as unobtrusive as possible. In the second funding period we will extend our current work, applying the tools to capturing higher-level design rationale.

Leake, David B.↗

Towards intelligent emergency control for large-scale power systems: Convergence of learning, physics, computing and control

Here, this paper has delved into the pressing need for intelligent emergency control in large-scale power systems, which are experiencing significant transformations and are operating closer to their limits with more uncertainties. Learning-based control methods are promising and have shown effectiveness for intelligent power system control. However, when they are applied to large-scale power systems, there are multifaceted challenges such as scalability, adaptiveness, and security posed by the complex power system landscape, which demand comprehensive solutions. The paper first proposes and instantiates a convergence framework for integrating power systems physics, machine learning, advanced computing, and grid control to realize intelligent grid control at a large scale. Our developed methods and platform based on the convergence framework have been applied to a large (more than 3000 buses) Texas power system, and tested with 56 000 scenarios. Our work achieved a 26% reduction in load shedding on average and outperformed existing rule-based control in 99.7% of the test scenarios. The results demonstrated the potential of the proposed convergence framework and DRL-based intelligent control for the future grid.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Research for Climate Adaptation

Adaptation to climate change must be ramped up urgently. We propose three avenues to transform ambition to action: improve tracking of actions and progress, upscale investment especially in critical areas, and accelerate learning through practice.

Climate-change adaptation↗

Lessons Learned from Astrobee Operations on the International Space Station

Since its launch in 2019, NASA has been operating three Astrobee free-flying robots providing an autonomous and adaptable research platform aboard the International Space Station (ISS). These robots have not only facilitated a myriad of national and international research endeavors in microgravity but have also served as a STEM outreach platform for student competitions aboard the ISS. Amidst its extensive operational tenure, spanning over five years and exceeding 1200 hours of cumulative free-flyer operation as of April 2024, the Astrobee robots have encountered software and hardware anomalies. Despite its inherent design for on-orbit repair or replacement, certain anomalies have proven to be complex, necessitating remote resolution via software and firmware updates or, in extreme cases, hardware replacements or the return of faulty units to NASA's ground facilities for repair. Such challenges underscore the delicate balance between the autonomous functionality of Astrobee and the occasional need for human intervention to maintain optimal performance. One recurring point of failure identified during Astrobee's operational lifespan has been the SD card, a critical component utilized by the different Astrobee processors and the Dock Station. The occurrence of SD card anomalies, both on orbit and within ground units, has provided invaluable insights into the improvement of Astrobee's systems and mitigation to future faults. This presentation will focus on four key areas: 1. Overview of Faults and Anomalies: A comprehensive examination of the diverse array of faults and anomalies encountered by Astrobee and its associated systems both in orbit and on the ground. From software glitches to hardware malfunctions, this section provides insights into the challenges faced during Astrobee's operational tenure. 2. Resolution Processes and Procedures: An in-depth discussion of the methodologies and procedures implemented to resolve the encountered anomalies. This includes remote troubleshooting, software patches, firmware updates, and, when necessary, the logistics involved in hardware replacements or down-massing for repair. 3. Implementation of Software Updates and Hardware Upgrades: A detailed exploration of the strategies employed to mitigate the risk of recurring anomalies through the implementation of software updates and hardware upgrades. This section highlights the iterative nature of Astrobee's development, emphasizing the continuous pursuit of robustness and reliability. 4. Lessons Learned and Future Directions: Reflecting on the insights gained from addressing anomalies, this section examines the lessons learned and outlines future directions for enhancing Astrobee's robustness and resilience. It underscores the iterative nature of space exploration and the importance of adaptability and continuous improvement in the pursuit of scientific discovery. Through a nuanced examination of Astrobee's operational challenges and the strategies employed to overcome them, this presentation sheds light on the complexities of operating autonomous robotic systems in the ISS environment. It underscores NASA's commitment to pushing the boundaries of exploration and innovation while navigating the inherent challenges of space exploration.

Astrobee↗

Lessons Learned from Astrobee Operations on the International Space Station

Since its launch in 2019, NASA has been operating three Astrobee free-flying robots providing an autonomous and adaptable research platform aboard the International Space Station (ISS). These robots have not only facilitated a myriad of national and international research endeavors in microgravity but have also served as a STEM outreach platform for student competitions aboard the ISS. Amidst its extensive operational tenure, spanning over five years and exceeding 1200 hours of cumulative free-flyer operation as of April 2024, the Astrobee robots have encountered software and hardware anomalies. Despite its inherent design for on-orbit repair or replacement, certain anomalies have proven to be complex, necessitating remote resolution via software and firmware updates or, in extreme cases, hardware replacements or the return of faulty units to NASA's ground facilities for repair. Such challenges underscore the delicate balance between the autonomous functionality of Astrobee and the occasional need for human intervention to maintain optimal performance. One recurring point of failure identified during Astrobee's operational lifespan has been the SD card, a critical component utilized by the different Astrobee processors and the Dock Station. The occurrence of SD card anomalies, both on orbit and within ground units, has provided invaluable insights into the improvement of Astrobee's systems and mitigation to future faults. This presentation will focus on four key areas: 1. Overview of Faults and Anomalies: A comprehensive examination of the diverse array of faults and anomalies encountered by Astrobee and its associated systems both in orbit and on the ground. From software glitches to hardware malfunctions, this section provides insights into the challenges faced during Astrobee's operational tenure. 2. Resolution Processes and Procedures: An in-depth discussion of the methodologies and procedures implemented to resolve the encountered anomalies. This includes remote troubleshooting, software patches, firmware updates, and, when necessary, the logistics involved in hardware replacements or down-massing for repair. 3. Implementation of Software Updates and Hardware Upgrades: A detailed exploration of the strategies employed to mitigate the risk of recurring anomalies through the implementation of software updates and hardware upgrades. This section highlights the iterative nature of Astrobee's development, emphasizing the continuous pursuit of robustness and reliability. 4. Lessons Learned and Future Directions: Reflecting on the insights gained from addressing anomalies, this section examines the lessons learned and outlines future directions for enhancing Astrobee's robustness and resilience. It underscores the iterative nature of space exploration and the importance of adaptability and continuous improvement in the pursuit of scientific discovery. Through a nuanced examination of Astrobee's operational challenges and the strategies employed to overcome them, this presentation sheds light on the complexities of operating autonomous robotic systems in the ISS environment. It underscores NASA's commitment to pushing the boundaries of exploration and innovation while navigating the inherent challenges of space exploration.

Astrobee↗

Intelligent tutoring using HyperCLIPS

HyperCard is a popular hypertext-like system used for building user interfaces to databases and other applications, and CLIPS is a highly portable government-owned expert system shell. We developed HyperCLIPS in order to fill a gap in the U.S. Army's computer-based instruction tool set; it was conceived as a development environment for building adaptive practical exercises for subject-matter problem-solving, though it is not limited to this approach to tutoring. Once HyperCLIPS was developed, we set out to implement a practical exercise prototype using HyperCLIPS in order to demonstrate the following concepts: learning can be facilitated by doing; student performance evaluation can be done in real-time; and the problems in a practical exercise can be adapted to the individual student's knowledge.

Hill, Randall W., Jr.↗

Humans in Space: Summarizing the Medico-Biological Results of the Space Shuttle Program

As we celebrate the 50th anniversary of Gagarin's flight that opened the era of Humans in Space we also commemorate the 30th anniversary of the Space Shuttle Program (SSP) which was triumphantly completed by the flight of STS-135 on July 21, 2011. These were great milestones in the history of Human Space Exploration. Many important questions regarding the ability of humans to adapt and function in space were answered for the past 50 years and many lessons have been learned. Significant contribution to answering these questions was made by the SSP. To ensure the availability of the Shuttle Program experiences to the international space community NASA has made a decision to summarize the medico-biological results of the SSP in a fundamental edition that is scheduled to be completed by the end of 2011 beginning 2012. The goal of this edition is to define the normal responses of the major physiological systems to short-duration space flights and provide a comprehensive source of information for planning, ensuring successful operational activities and for management of potential medical problems that might arise during future long-term space missions. The book includes the following sections: 1. History of Shuttle Biomedical Research and Operations; 2. Medical Operations Overview Systems, Monitoring, and Care; 3. Biomedical Research Overview; 4. System-specific Adaptations/Responses, Issues, and Countermeasures; 5. Multisystem Issues and Countermeasures. In addition, selected operational documents will be presented in the appendices. The chapters are written by well-recognized experts in appropriate fields, peer reviewed, and edited by physicians and scientists with extensive expertise in space medical operations and space-related biomedical research. As Space Exploration continues the major question whether humans are capable of adapting to long term presence and adequate functioning in space habitats remains to be answered We expect that the comprehensive review of the medico-biological results of the SSP along with the data collected during the missions on the space stations (Mir and ISS) provides a good starting point in seeking the answer to this question.

Risin, Diana↗

Online Control Design for Learn-To-Fly

Two methods were developed for online control design as part of a flight test e ort to examine the feasibility of the NASA Learn-to-Fly concept. The methods use an aerodynamic model of the aircraft that is being identified in real-time onboard the aircraft to adjust the control parameters. One method employs adaptive nonlinear dynamic inversion, whereas the other consists of a classical autopilot structure. E ects from the interaction between the realtime modeling and the developed control laws are discussed. The Learn-to-Fly concept has been deemed feasible based on successful flights of both a stable and unstable aircraft.

Snyder, Steven M↗

Meta-Learning Enhanced Physics-Informed Graph Attention Convolutional Network for Distribution Power System State Estimation

Promptly perceiving distribution system states is challenged by frequent topology changes and uncertain power injections. To address these issues, a Meta-learning enhanced physics-informed graph attention convolutional network (Meta-PIGACN) model is proposed to handle topological variability in distribution system state estimation (DSSE). Specifically, physics information is integrated into the graph convolutional network, enabling a physics-informed edge-weighting process that incorporates physical information to control the aggregation of neighboring nodes. Besides, the graph attention mechanism automatically adjusts the importance of different neighboring nodes, allowing the capture and preservation of inherent system features across varying topologies, thereby improving state estimation accuracy. Furthermore, meta-learning is proposed to acquire empirical knowledge across multiple topologies so that the model can rapidly adapt to new configurations through iterative gradient descent updates even in large-scale systems. In conclusion, the simulation results based on the 33/118/1746-node distribution systems show the high accuracy and efficiency of the proposed model.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Study of application of adaptive systems to the exploration of the solar system. Volume 1: Summary

The field of artificial intelligence to identify practical applications to unmanned spacecraft used to explore the solar system in the decade of the 80s is examined. If an unmanned spacecraft can be made to adjust or adapt to the environment, to make decisions about what it measures and how it uses and reports the data, it can become a much more powerful tool for the science community in unlocking the secrets of the solar system. Within this definition of an adaptive spacecraft or system, there is a broad range of variability. In terms of sophistication, an adaptive system can be extremely simple or as complex as a chess-playing machine that learns from its mistakes.

Source record↗