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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 703 records · Page 39

Domain Aware Deep-learning Algorithms Integrated with Scientific-computing Technologies (DADAIST)

This technical report summarized the contribution of the DADAIST project funded by the Data Model Convergence Initiative via the Laboratory Directed Research and Development (LDRD) investments at Pacific Northwest National Laboratory (PNNL). Specifically, we report the development of the NeuroMANCER (Neural Modules with Adaptive Nonlinear Constraints and Efficient Regularizations), a new open-source Scientific Machine Learning library for formulating and solving parametric constrained optimization problems, physics-informed system identification, and parametric optimal control problems. NeuroMANCER is using differentiable programming to combine modern data-driven models and optimization modeling language into a coherent algorithmic and software framework. NeuroMANCER is a Pytorch-based framework and adopts much of its philosophy focused on research and development, rapid prototyping, and streamlined deployment. Strong emphasis is given to extensibility, interoperability with the PyTorch ecosystem, and quick adaptability to custom domain problems. Neuromancer repository contains a comprehensive library of differentiable modules, including custom activation functions, matrix factorizations, deep learning architectures, neural differential equations, differential equation solvers, implicit layers such as iterative solvers, high-level API for symbolic expressions, API for modeling and control of dynamical systems, and extensive set of tutorial code examples in the form of python scripts and jupyter notebooks.

97 MATHEMATICS AND COMPUTING↗

Progress of Gas Injection EOR Surveillance in the Bakken Unconventional Play—Technical Review and Machine Learning Study

Although considerable laboratory and modeling activities were performed to investigate the enhanced oil recovery (EOR) mechanisms and potential in unconventional reservoirs, only limited research has been reported to investigate actual EOR implementations and their surveillance in fields. Eleven EOR pilot tests that used CO2, rich gas, surfactant, water, etc., have been conducted in the Bakken unconventional play since 2008. Gas injection was involved in eight of these pilots with huff ‘n’ puff, flooding, and injectivity operations. Surveillance data, including daily production/injection rates, bottomhole injection pressure, gas composition, well logs, and tracer testing, were collected from these tests to generate time-series plots or analytics that can inform operators of downhole conditions. A technical review showed that pressure buildup, conformance issues, and timely gas breakthrough detection were some of the main challenges because of the interconnected fractures between injection and offset wells. The latest operation of co-injecting gas, water, and surfactant through the same injection well showed that these challenges could be mitigated by careful EOR design and continuous reservoir monitoring. Reservoir simulation and machine learning were then conducted for operators to rapidly predict EOR performance and take control actions to improve EOR outcomes in unconventional reservoirs.

Energy & Fuels↗

Machine Learning‐Augmented Molecular Dynamics Simulations (MD) Reveal Insights Into the Disconnect Between Affinity and Activation of ZTP Riboswitch Ligands

Abstract The challenge of targeting RNA with small molecules necessitates a better understanding of RNA–ligand interaction mechanisms. However, the dynamic nature of nucleic acids, their ligand‐induced stabilization, and how conformational changes influence gene expression pose significant difficulties for experimental investigation. This work employs a combination of computational and experimental methods to address these challenges. By integrating structure‐informed design, crystallography, and machine learning‐augmented all‐atom molecular dynamics simulations (MD), we synthesized, biophysically and biochemically characterized, and studied the dissociation of a library of small molecule activators of the 5‐aminoimidazole–4–carboxamide ribonucleotide triphosphate (ZTP) riboswitch, a ligand‐binding RNA motif that regulates bacterial gene expression. We uncovered key interaction mechanisms, revealing valuable insights into the role of ligand binding kinetics on riboswitch activation. Further, we established that ligand on‐rates determine activation potency as opposed to binding affinity and elucidated RNA structural differences, which provide mechanistic insights into the interplay of RNA structure on riboswitch activation.

Chemistry↗

Solar Dynamics Observatory Lessons Learned

Mission is to study how solar activity is created and how space weather results from that activity. Atmospheric Imaging Assembly (AIA): High Resolution Images of 10 wavelengths every 10 seconds. Extreme Ultraviolet Variability Experiment (EVE): Measure Sun's brightness in EUV. Helioseismic and Magnetic Imager (HMI): Measures Doppler shift to study waves of the Sun. Launched February 11, 2010.

Rivera, Rachel↗

Artemis and Ethics Workshop Lessons Learned

As NASA lays out its Artemis activities, it expects to set precedents in spaceflight for decades to come. Artemis is a far more ambitious program than even Apollo, aimed at developing a sustained human presence on and around the lunar surface, in preparation for Mars exploration. As a result, considering ethical and social concerns in the discussion and design of Artemis is vital to ensuring the future worlds we create are ones where humanity collectively wants to live. By understanding how to reflect on these issues as NASA makes decisions related to Artemis, NASA can avoid unintended consequences stemming from cultural perceptions of human exploration of the solar system that may harm society. We recognize that a diverse range of groups need to be part of this conversation. There are many different views about the work that should happen in space. We recognize that NASA does not hold sole responsibility for determining the ethical path forward in space, as decisions made by commercial, international, and intergovernmental partners play a major role. Inclusive conversations help inform that work. Others have already argued that social scientists and engineers need to work together with inputs from stakeholders to design the future. To begin to answer this need, NASA’s Office of Technology, Policy, and Strategy (OTPS) hosted an Artemis and Ethics Workshop. This workshop was held in Washington, DC from April 12th-14th, 2023 and brought together invited experts in social science fields and NASA managers to discuss ethical, legal, and social aspects (ELSA) of Artemis and human exploration in general. The goal of the workshop was to discuss issues and build connections that NASA managers can consider across variety of ethical issues surrounding Artemis.

Katherine T McBrayer↗

Lessons Learned in Systems Engineering Availability and Recommendations for Mission Technical Leaders

In spaceflight missions at Goddard Space Flight Center (GSFC), the Mission System Engineer (MSE) is the technical leader of the overall engineering team and also is the Independent Engineering Technical Authority. The responsibility of this role includes the definition of the mission design architecture, concept of operations, and mission requirements, management of risk throughout the development, and verification and validation of the final system performance and function amongst other duties. This responsibility inherently requires time management, enabling focus on a balanced development with appropriate risk. Time is the most valuable resource of the MSE. The system engineer’s availability to interact with the development team (often product or component design leads and technicians, often in different worksites) to discover and mitigate mission risks during development is key to mission success. This paper presents examples from Lunar Reconnaissance Orbiter, Landsat 9, and Neutron star Interior Composition ExploreR (NICER) which represent in-house and out-of-house hardware builds. These examples demonstrate how interactions between the Mission Systems Engineers and other project and partner engineers result in discovery of critical risks, leading to early mitigation with significant cost and performance savings. These three missions would have suffered test failures or on-orbit failures had their MSEs not set aside time to visit engineers and technicians that were working on key pieces of space flight hardware. Availability is more than just time; it is openness to listen to concerns and questions. It begins by building a level of trust in the team that it is safe to ask questions or share concerns without the fear of blame or additional workload. It also requires enabling informal conversations (over lunch, coffee, in the clean room, or at the team members desk, etc.) where key information can be exchanged, and team members may even provide an easy-to-implement mitigation idea for another subsystem. Availability is a highly valuable commodity and completely non-obvious to protect and optimize. The natural tendency of engineers is to keep themselves busy with solving problems that they know about. This paper is encouraging MSEs to resist this tendency to try and solve all the complex problems themselves and actively devote daily time to learning and solving problems that are found with informal communications with other team members.

Lessons Learned↗

Understanding the Inner-Workings of Language Models Through Representation Dissimilarity

We use model stitching to understand the internal representations of language models. Similar to vision models, we find that "more is better," and representations learned with more data and larger width can improve the performance of weaker models via stitching. We likewise find that certain architecture choices, using GeLU vs SoLU activation functions, influence the quality of learned representations. Finally, model stitching (as opposed to other model diagnostic methods, like mode connectivity) can localize the different generalization strategies of text classifiers under domain shift to certain hidden layers.

Brown, Davis R.↗

Sensor On-orbit Calibration and Characterization Using Spacecraft Maneuvers

Spacecraft flight operations often require activities that involve different kinds of maneuvers for orbital adjustments (pitch, yaw, and roll). Different maneuvers, when properly planned and scheduled, can also be applied to support and/or to perform on-board sensor calibration and characterization. This paper uses MODIS (Moderate Resolution Imaging Spectroradiometer) as an example to illustrate applications of spacecraft maneuvers for Earth-observing sensors on-orbit calibration and characterization. MODIS is one of the key instruments for NASA's Earth Observing System (EOS) currently operated on-board the EOS Terra and Aqua spacecraft launched in December 1999 and May 2002, respectively. Since their launch, both Terra and Aqua spacecraft have made a number of maneuvers, specially the yaw and roll maneuvers, to support the MODIS on-orbit calibration and characterization. For both Terra and Aqua MODIS, near-monthly spacecraft roll maneuvers are executed for lunar observations. These maneuvers are carefully scheduled so that the lunar phase angles are nearly identical for each sensor's lunar observations. The lunar observations are used to track MODIS reflective solar bands (RSB) calibration stability and to inter-compare Terra and Aqua MODIS RSB calibration consistency. To date, two sets of yaw maneuvers (each consists of two series of 8 consecutive yaws) by the Terra spacecraft and one set by the Aqua spacecraft have been performed to validate MODIS solar diffuser (SD) bi-directional reflectance factor (BRF) and to derive SD screen transmission. Terra spacecraft pitch maneuvers, first made on March 26, 2003 and the second on April 14, 2003 (with the Moon in the spacecraft nadir view), have been applied to characterize MODIS thermal emissive bands (TEB) response versus scan angle (RVS). This is particularly important since the pre-launch TEB RSV measurements made by the sensor vendor were not successful. Terra MODIS TEB RVS obtained from pitch maneuvers have been used in the current LIB calibration algorithm. Lunq observations from pitch maneuvers also provided information to cross-calibrate MODIS with other sensors (MISR and ASTER) on the same platform. We will provide a summary of MODIS maneuver activities and their applications for MODIS calibration and characterization. The results and lessons learned discussed in this paper from MODIS maneuver activities will provide useful insights into future spacecraft and sensor operation.

Xiong, X.↗

Analysis of MINERvA tunings of GENIE based on Hadron Multiplicity using Machine Learning

Scientists with the MINERvA neutrino interaction experiment have long studied distributions of hadrons (protons and pions) to improve the models for these reactions. Until now, most work has relied on easy to find, energetic, and well tracked hadrons. But in order to take full advantage of MINERνA data it is necessary to develop an efficient enough tool to recognize hadron tracks with lower energy, more transverse angle and more challenging patterns of activity. In this analysis, a Machine Learning tool based on Convolutional Neural Network and Transfer Learning has been developed to tackle that issue. It is found to be extremely capable of recognizing hadron activities especially when there are few and not very energetic hadrons, the accuracy is 76%. But it is also found that this network is very reluctant to classify too many hadrons. The classification is also affected by the presence of other particles in the event such photons, hadrons below a threshold or neutrons. This network is used to compare hadron multiplicity of data to the MC models and distinguish between different MC tunes. Some MINERνA tunes are explored in this analysis, but none of them described the data very well, especially not for all different hadrons multiplicities at once. Four combinations of those tunes were more successful, but none of them could be recognized as the best one. Nevertheless, this analysis develops an ML network that sets the basis of further exploration of hadron multiplicity as a tool to analyze MC tunes at MINERνA and beyond.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

FAIR AI models in high energy physics

Abstract The findable, accessible, interoperable, and reusable (FAIR) data principles provide a framework for examining, evaluating, and improving how data is shared to facilitate scientific discovery. Generalizing these principles to research software and other digital products is an active area of research. Machine learning models—algorithms that have been trained on data without being explicitly programmed—and more generally, artificial intelligence (AI) models, are an important target for this because of the ever-increasing pace with which AI is transforming scientific domains, such as experimental high energy physics (HEP). In this paper, we propose a practical definition of FAIR principles for AI models in HEP and describe a template for the application of these principles. We demonstrate the template’s use with an example AI model applied to HEP, in which a graph neural network is used to identify Higgs bosons decaying to two bottom quarks. We report on the robustness of this FAIR AI model, its portability across hardware architectures and software frameworks, and its interpretability.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Training Spiking Neural Networks with Synaptic Plasticity under Integer Representation

Neuromorphic computing is emerging as a promising Beyond Moore computing paradigm that employs event-triggered computation and non-von Neumann hardware. Spike Timing Dependent Plasticity (STDP) is a well-known bio-inspired learning rule that relies on activities of locally connected neurons to adjust the weights of their respective synapses. In this work, we analyze a basic STDP rule and its sensitivity on the different hyperparameters for training spiking neural networks (SNNs) with supervision, customized for a neuromorphic hardware implementation with integer weights. We compare the classification performance on four UCI datasets (iris, wine, breast cancer and digits) that depict varying levels of complexity. We perform a search for optimal set of hyperparameters using both grid search and Bayesian optimization. Through the use of Bayesian optimization, we show the general trends in hyperparameter sensitivity in SNN classification problem. With the best sets of hyperparameters, we achieve accuracies comparable to some of the best performing SNNs on these four datasets. With a highly optimized supervised STDP rule we show that these accuracies can be achieved with just 20 epochs of training.

Kulkarni, Shruti↗

DFSynthesizer: Dataflow-based Synthesis of Spiking Neural Networks to Neuromorphic Hardware

Spiking Neural Networks (SNNs) are an emerging computation model that uses event-driven activation and bio-inspired learning algorithms. SNN-based machine learning programs are typically executed on tile-based neuromorphic hardware platforms, where each tile consists of a computation unit called a crossbar, which maps neurons and synapses of the program. However, synthesizing such programs on an off-the-shelf neuromorphic hardware is challenging. This is because of the inherent resource and latency limitations of the hardware, which impact both model performance, e.g., accuracy, and hardware performance, e.g., throughput. We propose DFSynthesizer, an end-to-end framework for synthesizing SNN-based machine learning programs to neuromorphic hardware. The proposed framework works in four steps. First, it analyzes a machine learning program and generates SNN workload using representative data. Second, it partitions the SNN workload and generates clusters that fit on crossbars of the target neuromorphic hardware. Third, it exploits the rich semantics of the Synchronous Dataflow Graph (SDFG) to represent a clustered SNN program, allowing for performance analysis in terms of key hardware constraints such as number of crossbars, dimension of each crossbar, buffer space on tiles, and tile communication bandwidth. Finally, it uses a novel scheduling algorithm to execute clusters on crossbars of the hardware, guaranteeing hardware performance. We evaluate DFSynthesizer with 10 commonly used machine learning programs. Our results demonstrate that DFSynthesizer provides a much tighter performance guarantee compared to current mapping approaches.

Computer Science↗

Little Big Horn College Health and Wellness Center 45 kilo-Watt (kW) Solar Array (Final Report)

The report summarizes the activities completed, results, and lessons learned in installing at 45 kW photovoltaic solar array on the roof and as awnings at the 25,000 square foot Health and Wellness Center on the campus of the Little Big Horn College (LBHC) in Crow Agency, Montana. The installation is expected to displace greater than 16% of the current electricity requirements at the Health and Wellness Center and save LBHC more than $6,600 in operating costs annually.

14 SOLAR ENERGY↗

Summary of Potential Incidents and Consequences from Carbon Dioxide Pipeline and Storage Systems Construction and Operation

This document provides a high-level summary of the potential human and environmental impacts associated with carbon dioxide (CO 2 ) pipeline transport, injection, and storage activities. It also reviews lessons learned from natural and industrial analogs of CO 2 storage as well as case studies of notable accidental CO 2 releases. The analysis is structured into several key sections, each addressing specific resource impacts and potential consequences.

54 ENVIRONMENTAL SCIENCES↗