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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 325 records · Page 18

Efficient Training of Deep Neural Operator Networks via Randomized Sampling

Neural operators (NOs) employ deep neural networks to learn the mappings between infinitedimensional function spaces. Deep operator network (DeepONet), a popular NO architecture, has demonstrated success in the real-time prediction of complex dynamics across various scientific and engineering applications. In this work, we introduce a random sampling technique to be adopted during the training of DeepONet, aimed at improving the generalization ability of the model, while significantly reducing the computational time. The proposed approach targets the trunk network of the DeepONet model that outputs the basis functions corresponding to the spatiotemporal locations of the bounded domain on which the physical system is defined. While constructing the loss function, DeepONet training traditionally considers a uniform grid of spatiotemporal points at which all the output functions are evaluated for each iteration. This approach leads to a larger batch size, resulting in poor generalization and increased memory demands, due to the limitations of the stochastic gradient descent (SGD) optimizer. The proposed random sampling over the inputs of the trunk net mitigates these challenges, improving generalization and reducing the memory requirements during training, resulting in significant computational gains. We validate our hypothesis through three benchmark examples, demonstrating substantial reductions in training time while achieving comparable or lower overall test errors relative to the traditional training approach. Our results indicate that incorporating randomization in the trunk network inputs during training enhances the efficiency and robustness of DeepONet, offering a promising avenue for improving the framework’s performance in modeling complex physical systems.

Karumuri, Sharmila [Department of Civil & Systems ↗

Using GANs with adaptive training data to search for new molecules

The process of drug discovery involves a search over the space of all possible chemical compounds. Generative Adversarial Networks (GANs) provide a valuable tool towards exploring chemical space and optimizing known compounds for a desired functionality. Standard approaches to training GANs, however, can result in mode collapse, in which the generator primarily produces samples closely related to a small subset of the training data. In contrast, the search for novel compounds necessitates exploration beyond the original data. In this work, we present an approach to training GANs that promotes incremental exploration and limits the impacts of mode collapse using concepts from Genetic Algorithms. In our approach, valid samples from the generator are used to replace samples from the training data. We consider both random and guided selection along with recombination during replacement. By tracking the number of novel compounds produced during training, we show that updates to the training data drastically outperform the traditional approach, increasing potential applications for GANs in drug discovery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Scalable training of graph convolutional neural networks for fast and accurate predictions of HOMO-LUMO gap in molecules

Abstract Graph Convolutional Neural Network (GCNN) is a popular class of deep learning (DL) models in material science to predict material properties from the graph representation of molecular structures. Training an accurate and comprehensive GCNN surrogate for molecular design requires large-scale graph datasets and is usually a time-consuming process. Recent advances in GPUs and distributed computing open a path to reduce the computational cost for GCNN training effectively. However, efficient utilization of high performance computing (HPC) resources for training requires simultaneously optimizing large-scale data management and scalable stochastic batched optimization techniques. In this work, we focus on building GCNN models on HPC systems to predict material properties of millions of molecules. We use HydraGNN, our in-house library for large-scale GCNN training, leveraging distributed data parallelism in PyTorch. We use ADIOS, a high-performance data management framework for efficient storage and reading of large molecular graph data. We perform parallel training on two open-source large-scale graph datasets to build a GCNN predictor for an important quantum property known as the HOMO-LUMO gap. We measure the scalability, accuracy, and convergence of our approach on two DOE supercomputers: the Summit supercomputer at the Oak Ridge Leadership Computing Facility (OLCF) and the Perlmutter system at the National Energy Research Scientific Computing Center (NERSC). We present our experimental results with HydraGNN showing (i) reduction of data loading time up to 4.2 times compared with a conventional method and (ii) linear scaling performance for training up to 1024 GPUs on both Summit and Perlmutter.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Training dataset and results for geothermal exploration artificial intelligence, applied to Brady Hot Springs and Desert Peak

The submission includes the labeled datasets, as ESRI Grid files (.gri, .grd) used for training and classification results for our machine leaning model: - brady_som_output.gri, brady_som_output.grd, brady_som_output.* - desert_som_output.gri, desert_som_output.grd, desert_som_output.* The data corresponds to two sites: Brady Hot Springs and Desert Peak, both located near Fallon, NV. Input layers include: - Geothermal: Labeled data (0: Non-geothermal; 1: Geothermal) - Minerals: Hydrothermal mineral alterations, as a result of spectral analysis using Chalcedony, Kaolinite, Gypsum, Hematite and Epsomite - Temperature: Land surface temperature (% of times a pixel was classified as "Hot" by K-Means) - Faults: Fault density with a 300mradius - Subsidence: PSInSAR results showing subsidence displacement of more than 5mm - Uplift: PSInSAR results showing subsidence displacement of more than 5mm Also, the results of the classification using Brady and Desert Peak to build 2 Convolutional Neural Networks. These were applied to the training site as well as the other site, the results are in GeoTiff format. - brady_classification: Results of classification of the Brady-trained model - desert_classification: Results of classification of the Desert Peak-trained model - b2d_classification: Results of classification of Desert Peak using the Brady-trained model - d2b_classification: Results of classification of Brady using the Desert Peak-trained model

15 GEOTHERMAL ENERGY↗

BOPTest As a Platform for Building Controls and Grid-Interactive Buildings Workforce Training

Building automation and controls are becoming increasingly complex with the emergence of Grid Integrated Efficient Buildings (GEBs) as well as new highly efficient sequences of operation and data-driven control schemes. However, there remains a significant gap in hands-on training opportunities for building operators and technicians to gain practical experience with advanced control systems in a low-risk environment. This paper presents BOPTEST (Building Optimization Performance Test) as a suitable platform for workforce training in building controls and GEB technologies. BOPTEST provides a suite of standardized building simulation test cases with a REST API, real-time control interfaces through BACnet, semantic models connecting users to building data, and built-in calculation of control metrics and performance indicators. The platform enables trainees to interact with virtual buildings using industry-standard protocols while learning how to implement and innovate control strategies. The training platform is designed to offer a structured and interactive learning experience for building engineers, helping them effectively develop, learn, and retain skills in fault identification, troubleshooting, and correction. The workflow is divided into three main phases: 1) Setup, 2) Exercise, and 3) Review, each comprising specific activities performed by either the instructor or the student. Initial pilot training sessions have yielded positive feedback from instructors and participants and demonstrates that BOPTEST effectively fills an industry need for a low-risk training resource via simulation of real building control systems, allowing trainees to gain practical experience before working in the field. The platform's ability to provide immediate performance feedback while maintaining familiar industry interfaces makes it particularly suitable for workforce development programs. This work provides a replicable model for leveraging building simulation in control education and training.

Paul, Lazlo↗

In situ Parallel Training of Analog Neural Network Using Electrochemical Random-Access Memory

In-memory computing based on non-volatile resistive memory can significantly improve the energy efficiency of artificial neural networks. However, accurate in situ training has been challenging due to the nonlinear and stochastic switching of the resistive memory elements. One promising analog memory is the electrochemical random-access memory (ECRAM), also known as the redox transistor. Its low write currents and linear switching properties across hundreds of analog states enable accurate and massively parallel updates of a full crossbar array, which yield rapid and energy-efficient training. While simulations predict that ECRAM based neural networks achieve high training accuracy at significantly higher energy efficiency than digital implementations, these predictions have not been experimentally achieved. In this work, we train a 3 × 3 array of ECRAM devices that learns to discriminate several elementary logic gates (AND, OR, NAND). We record the evolution of the network’s synaptic weights during parallel in situ (on-line) training, with outer product updates. Due to linear and reproducible device switching characteristics, our crossbar simulations not only accurately simulate the epochs to convergence, but also quantitatively capture the evolution of weights in individual devices. The implementation of the first in situ parallel training together with strong agreement with simulation results provides a significant advance toward developing ECRAM into larger crossbar arrays for artificial neural network accelerators, which could enable orders of magnitude improvements in energy efficiency of deep neural networks.

97 MATHEMATICS AND COMPUTING↗

Fed-DeepONet: Stochastic Gradient-Based Federated Training of Deep Operator Networks

The Deep Operator Network (DeepONet) framework is a different class of neural network architecture that one trains to learn nonlinear operators, i.e., mappings between infinite-dimensional spaces. Traditionally, DeepONets are trained using a centralized strategy that requires transferring the training data to a centralized location. Such a strategy, however, limits our ability to secure data privacy or use high-performance distributed/parallel computing platforms. To alleviate such limitations, in this paper, we study the federated training of DeepONets for the first time. That is, we develop a framework, which we refer to as Fed-DeepONet, that allows multiple clients to train DeepONets collaboratively under the coordination of a centralized server. To achieve Fed-DeepONets, we propose an efficient stochastic gradient-based algorithm that enables the distributed optimization of the DeepONet parameters by averaging first-order estimates of the DeepONet loss gradient. Then, to accelerate the training convergence of Fed-DeepONets, we propose a moment-enhanced (i.e., adaptive) stochastic gradient-based strategy. Finally, we verify the performance of Fed-DeepONet by learning, for different configurations of the number of clients and fractions of available clients, (i) the solution operator of a gravity pendulum and (ii) the dynamic response of a parametric library of pendulums.

Moya, Christian↗

Development of Training Materials for Pathologists to Provide Machine Learning Validation Data of Tumor-Infiltrating Lymphocytes in Breast Cancer

The High Throughput Truthing project aims to develop a dataset for validating artificial intelligence and machine learning models (AI/ML) fit for regulatory purposes. The context of this AI/ML validation dataset is the reporting of stromal tumor-infiltrating lymphocytes (sTILs) density evaluations in hematoxylin and eosin-stained invasive breast cancer biopsy specimens. After completing the pilot study, we found notable variability in the sTILs estimates as well as inconsistencies and gaps in the provided training to pathologists. Using the pilot study data and an expert panel, we created custom training materials to improve pathologist annotation quality for the pivotal study. We categorized regions of interest (ROIs) based on their mean sTILs density and selected ROIs with the highest and lowest sTILs variability. In a series of eight one-hour sessions, the expert panel reviewed each ROI and provided verbal density estimates and comments on features that confounded the sTILs evaluation. We aggregated and shaped the comments to identify pitfalls and instructions to improve our training materials. From these selected ROIs, we created a training set and proficiency test set to improve pathologist training with the goal to improve data collection for the pivotal study. We are not exploring AI/ML performance in this paper. Instead, we are creating materials that will train crowd-sourced pathologists to be the reference standard in a pivotal study to create an AI/ML model validation dataset. The issues discussed here are also important for clinicians to understand about the evaluation of sTILs in clinical practice and can provide insight to developers of AI/ML models.

60 APPLIED LIFE SCIENCES↗

BOPTEST as a Platform for Building Controls and Grid-Interactive Buildings Workforce Training

Building automation and controls are becoming increasingly complex with the emergence of Grid Integrated Efficient Buildings (GEBs) as well as new highly efficient sequences of operation and data-driven control schemes. However, there remains a significant gap in hands-on training opportunities for building operators and technicians to gain practical experience with advanced control systems in a low-risk environment. This paper presents BOPTEST (Building Optimization Performance Test) as a suitable platform for workforce training in building controls and GEB technologies. BOPTEST provides a suite of standardized building simulation test cases with a REST API, real-time control interfaces through BACnet, semantic models connecting users to building data, and built-in calculation of control metrics and performance indicators. The platform enables trainees to interact with virtual buildings using industry-standard protocols while learning how to implement and innovate control strategies. The training platform is designed to offer a structured and interactive learning experience for building engineers, helping them effectively develop, learn, and retain skills in fault identification, troubleshooting, and correction. The workflow is divided into three main phases: 1) Setup, 2) Exercise, and 3) Review, each comprising specific activities performed by either the instructor or the student. Initial pilot training sessions have yielded positive feedback from instructors and participants and demonstrates that BOPTEST effectively fills an industry need for a low-risk training resource via simulation of real building control systems, allowing trainees to gain practical experience before working in the field. The platform's ability to provide immediate performance feedback while maintaining familiar industry interfaces makes it particularly suitable for workforce development programs. This work provides a replicable model for leveraging building simulation in control education and training.

Paul, Lazlo↗

Development and analysis of a modular approach to payload specialist training

A modular training approach for Spacelab payload crews is described. Representative missions are defined for training requirements analysis, training hardware, and simulations. Training times are projected for each experiment of each representative flight. A parametric analysis of the various flights defines resource requirements for a modular training facility at different flight frequencies. The modular approach is believed to be more flexible, time saving, and economical than previous single high fidelity trainer concepts. Block diagrams of training programs are shown.

Watters, H.↗

Transfer of training on manual control systems differing in short period frequency and damping characteristics

Each of four groups of 16 subjects was trained on one of four compensatory tracking tasks that differed with regard to short period natural frequency and damping characteristics. After completion of the training sessions, the members of each group either transferred to a task on which they had not been trained or continued with their original task. Analysis of the training data indicated that relative task difficulty was largely determined by system damping which, however, had little effect on the amount of transfer during the transfer trials. The effect of system frequency was essentially reversed, and a marked interaction between training and transfer frequencies was observed in the transfer data. Similar results were obtained both with relative error scores and transinformation scores. Positive transfer was exhibited by most of the groups when they transferred to tasks on which they had not been trained.

Lincoln, R. S.↗

Issues related to line-oriented flight training

The use of a training simulator along with carefully structured, detailed, line trip scenarios was envisioned by NASA as a means of providing a controllable, repeatable way to observe line crews in a highly realistic simulation of their working environment and obtain better understanding operationally significant human factors problems and issues. Relevant research done by the agency and the results of full-mission simulation scenarios revealed potential implications for flight training. Aspects to be considered in creating training programs closely related to the actual line environment with a total crew application in real world incident experiences include: (1) operational, environmental, equipment, and crew problems in scenario design; (2) real time line oriented flight training operation; (3) performance assessment and debriefing; (4) instructor qualification and training; and (5) other issues such as ub un initial, transition, and upgrade training; procedures developent and evaluation, and equipment evaluation.

Lauber, J. K.↗

The Design and Use of Subtasks in Part Training and Their Relationship to the Whole Task

The part versus whole training is discussed. Common sense dictates that a massive body of knowledge should not be taught as a whole. For the same reason, if a part of the task is very difficult, one should not go over the task in its entirety. Repetitive training on the difficult part should lead to better results. Several part training methods were developed, including: pure part, progressive part, repetitive part, retrogressive and isolated parts. The question was posited whether training on parts of a task is a beneficial enterprise. The way the task will be disassembled for the part training needs to be determined. It is argued that the effectiveness of part training depends on the degree to which a task is decomposable.

Mane, A. M.↗

Automation, robotics, and inflight training for manned Mars missions

The automation, robotics, and inflight training requirements of manned Mars missions will be supported by similar capabilities developed for the space station program. Evolutionary space station onboard training facilities will allow the crewmembers to minimize the amount of training received on the ground by providing extensive onboard access to system and experiment malfunction procedures, maintenance procedures, repair procedures, and associated video sequences. Considerable on-the-job training will also be conducted for space station management, mobile remote manipulator operations, proximity operations with the Orbital Maneuvering Vehicle (and later the Orbit Transfer Vehicle), and telerobotics and mobile robots. A similar approach could be used for manned Mars mission training with significant additions such as high fidelity image generation and simulation systems such as holographic projection systems for Mars landing, ascent, and rendezvous training. In addition, a substantial increase in the use of automation and robotics for hazardous and tedious tasks would be expected for Mars mission. Mobile robots may be used to assist in the assembly, test and checkout of the Mars spacecraft, in the handling of nuclear components and hazardous chemical propellent transfer operations, in major spacecraft repair tasks which might be needed (repair of a micrometeroid penetration, for example), in the construction of a Mars base, and for routine maintenance of the base when unmanned.

Holt, Alan C.↗

Remedial training: Will CRM work for everyone

The subject of those pilots who seem unresponsive to Cockpit Resource Management (CRM) training is addressed. Attention is directed to the need and opportunity for remedial action. Emphasis is given to the requirement for new perspectives and additional training resources. It is also argued that, contrary to conventional training wisdom, such individuals do not represent a hard core which is beyond assistance. Some evidence is offered that such a new perspective will lend itself to a wider appreciation of certain specific training needs. The role of appropriately trained specialists is briefly outlined, and a selected bibliography is attached. The combined experiences of several Pilot Advisory Groups (PAG's) within IFALPA member association form the basis for this discussion. It does not purport to desribe the activities of any one PAG. While much of the activities of PAG's have no relevance to CRM, there are clearly some very important points of intersection. The relevance of these points to diagnostic skills, and remedial training in the general domain of CRM is made obvious.

Johnston, A. N.↗

An intelligent training system for payload-assist module deploys

An autonomous intelligent training system which integrates expert system technology with training/teaching methodologies is described. The Payload-Assist Module Deploys/Intelligent Computer-Aided Training (PD/ICAT) system has, so far, proven to be a potentially valuable addition to the training tools available for training Flight Dynamics Officers in shuttle ground control. The authors are convinced that the basic structure of PD/ICAT can be extended to form a general architecture for intelligent training systems for training flight controllers and crew members in the performance of complex, mission-critical tasks.

Loftin, R. Bowen↗

Selection for optimal crew performance - Relative impact of selection and training

An empirical study supporting Helmreich's (1986) theoretical work on the distinct manner in which training and selection impact crew coordination is presented. Training is capable of changing attitudes, while selection screens for stable personality characteristics. Training appears least effective for leadership, an area strongly influenced by personality. Selection is least effective for influencing attitudes about personal vulnerability to stress, which appear to be trained in resource management programs. Because personality correlates with attitudes before and after training, it is felt that selection may be necessary even with a leadership-oriented training cirriculum.

Chidester, Thomas R.↗

Launch team training system

A new approach to the training, certification, recertification, and proficiency maintenance of the Shuttle launch team is proposed. Previous training approaches are first reviewed. Short term program goals include expanding current training methods, improving the existing simulation capability, and scheduling training exercises with the same priority as hardware tests. Long-term goals include developing user requirements which would take advantage of state-of-the-art tools and techniques. Training requirements for the different groups of people to be trained are identified, and future goals are outlined.

Webb, J. T.↗