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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

SMALE: Enhancing Scalability of Machine Learning Algorithms on Extreme-Scale Computing Platforms

Deployment and execution of machine learning tasks on extreme-scale computing platforms face several significant technical challenges: 1) High computing cost incurred by dense networks – The computing workload of deep networks with densely-connected topology increases rapidly with the network size, imposing a non-scalable computing model of extreme-scale computing platforms; 2) Non-optimized workload distribution – Many advanced deep learning algorithms, e.g., sparsification and irregular net-work topology, produce very unbalanced workload distribution on extreme-scale computing platforms. The computation efficiency is greatly hindered by the incurred data and computation redundancies as well as long tails of the node with extensive workload; 3) Constraints in data movement and I/O bottle-neck – Inter-node data movement in extreme-scale computing platforms are associated with high energy and latency costs, and subject to the constraints of I/O bandwidth; and 4) Generalization of algorithm realization and acceleration on computing platforms – The large varieties of machine learning algorithms and structures of extreme-scale computing platforms make the derivation of a generalized algorithm realization and acceleration method very challenging, which, however, is the requirement by domain scientists and interested users. We call the above challenges Smale’s Problems in Machine Learning and Understanding for High-Performance Computing Scientific Discovery. The objective of our three-year research project is to develop a holistic innovation set at structure, assembly, and acceleration layers of machine learning algorithms to address the above challenges in algorithm deployment and execution. Three tasks are particularly performed, including: At the algorithm structure level, we investigate the techniques that can structurally sparsify on the topology of deep networks for computing workload reduction. We also study clustering and pruning techniques that can optimize the workload distributions over the extreme-scale computing platforms; At the algorithm assembly level, we derive a unified learning framework for unsupervised transfer learning and dynamic growing capabilities. Novel training methods are also exploited to enhance the training efficiency of the proposed framework; At the algorithm acceleration level, we will develop a series of techniques that can accelerate the computation of sparse matrix operations, which are one of the core executions in deep learning and optimize memory access of the concerned platforms. Our proposed techniques attack the fundamental problems in machine learning algorithms running on extreme-scale computing platforms by vertically integrating the solutions at three closely entangled layers, paving the long-term scaling path of machine learning applications under DOE context. Three tasks corresponding to the above respective research orientations are performed during the three-year project period with our collaborators at ORNL. The outcome of the proposed project is anticipated to form a holistic solution set of novel algorithms and network topologies, efficient training techniques, and fast acceleration methods to promote the computing scalability of the machine learning applications of particular interest to DOE.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

A Study on Efficient Reinforcement Learning Through Knowledge Transfer

Although Reinforcement Learning (RL) algorithms have made impressive progress in learning complex tasks over the past years, there are still prevailing short-comings and challenges. Specifically, the sample-inefficiency and limited adaptation across tasks often make classic RL techniques impractical for real-world applications despite the gained representational power when combining deep neural networks with RL, known as Deep Reinforcement Learning (DRL). Recently, a number of approaches to address those issues have emerged. Many of those solutions are based on smart DRL architectures that enhance single task algorithms with the capability to share knowledge between agents and across tasks by introducing Transfer Learning (TL) capabilities. Here this survey addresses strategies of knowledge transfer from simple parameter sharing to privacy preserving federated learning and aims at providing a general overview of the field of TL in the DRL domain, establishes a classification framework, and briefly describes representative works in the area.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Deep learning-based predictive models for laser direct drive at the Omega Laser Facility

The rich and complex physics of inertial confinement fusion provides a unique and challenging space for high-fidelity first-principles modeling. Consequently, simulation codes that are used to design experiments are computationally expensive and lack the predictive capability required for extensive parameter exploration in search of a high-performing design for laser direct drive. In this article, we present two deep-learning-based predictive models intended to address these difficulties. The first model (TL DNN) acts as a fast emulator of simulations as well as experiments at the Omega Laser Facility. This model is trained on a simulation database and subsequently calibrated on experimental data using transfer learning. To facilitate the development of this model, an autoencoder is developed to reduce the dimensionality of the input space by compressing the laser pulse input. The model predicts key experimental scalar observables of Omega experiments with high accuracy and minimal computational cost. This deep neural net enables rapid exploration of a high-dimensional input parameter space for an optimal implosion design. The second model (DNN SM+) aims to extend the statistical modeling work of Lees et al. [Phys. Rev. Lett. 127, 105001 (2021)], by increasing the complexity of the model space and allowing for coupling between degradation terms. Since the model capacity of DNN SM+ is higher than the model of Lees et al., DNN SM+ can potentially provide an improvement in predictive capability, and we use this model to provide insight into complicated degradation dependencies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRSDate not supplied

SWIPE: Spectral Water Inversion Processor and Emulator

Degradation of Earth’s inland water resources due to anthropogenic perturbations and climate anomalies at both local and global scales continues to place human health at substantial risk. There is now a growing necessity to develop pragmatic approaches that allow timely and effective extrapolation of local processes, to spatially resolved global products, and to promote operational and sustainable resource policy management. This presentation will be discussing the progress made developing SWIPE: Spectral Water Inversion Processor and Emulator. SWIPE is a platform for advanced modeling of coastal and inland aquatic habitats. The goal is create a comprehensive and cohesive system to leverage recent advancements in computation and machine learning to develop a synthetic training ground for sensitivity studies and algorithm development. The four principal facets of SWIPE include: 1. Advanced two-layer coated sphere bio-optical modeling and GPU radiative transfer modeling, 2. Big Data involving massive synthetic spectral libraries of optical properties of various global aquatic particles, surface reflectance, and top-of-atmosphere reflectance, all at hyperspectral resolution leveraging high-end computing systems at NASA Ames Research Center, 3. Deep Learning for algorithm development for water quality inversion of concentrations of common biogeophysical variables as well as optics, full uncertainty characterization by water type, and forward emulation, and lastly, 4. Image Processing for application of developed retrieval algorithms for both hyperspectral and multispectral sensors with experimental corrections for global adjacency, noise, sunglint, and benthic reflectance. This presentation will demonstrate the Equivalent Algal Populations (EAP) two-layer coated sphere scattering model which has been used develop spectral libraries of hyperspectral inherent optical properties of roughly 80 species of phytoplankton, covering 15 different classes and nine taxonomic functional types. The EAP model was also used to derive spectral properties of 10 different non-algal particle functional types. Examples of how the SMART-G (Speed-up Monte-carlo Advanced Radiative Transfer using GPU) radiative transfer code is used to model optically complex aquatic signals will be presented and discussed in the context of creating a massive synthetic database which can leverage the full power of next generation machine learning techniques and high end computing for water quality inversion. We will discuss our active investigation in things like appropriate model architectures, dimensionality reduction techniques such as PCA and autoencoders, uncertainty quantification and abstaining, and which variables actually benefit most from hyperspectral information versus multispectral resolution. We are also curious about questions relating to cost/benefit analysis in terms of computation resources, neural network complexity, and data volumes. Answers to these questions will hopefully elaborate on cost efficiency for potential future sensor design considerations.

SWIPE↗
DOE OSTI2020

DelPlasmid: Finding Plasmids with Deep Learning and Machine Learning v1

Extrachromosomal genetic elements or plasmids are an important driver of DNA exchange and genetic innovation in prokaryotes. The success of plasmids has been attributed to their independent replication from host cell chromosomes and their frequent self-transfer. In recent years, the Department of Energy has recognized the importance of plasmid DNA to the viability and success of microbial communities and JGI has responded with funding to support the research and development of new methods and tools for the efficient sequencing of plasmid DNA. LBNL #2019-037 is responsive to this call.

Andreopoulos, William↗
DOE OSTI2024

Bridging the gap between experiments and simulations using machine learning

The physics of inertial confinement fusion is rich and complex. Simulation codes that are used to design experiments are computationally expensive and lack the predictive capability required for extensive parameter exploration in search of a high-performing design for laser direct drive. In this work we use deep learning to build a fast emulator of experiments. To facilitate the development of the deep-learning model, an autoencoder is used to reduce the dimensionality of the input space. Two deep learning models are developed. One model is trained on a vast array of simulation data and is subsequently calibrated to expensive and limited experimental data using a technique known as “transfer learning.” The other model is trained on a statistical model and is subsequently calibrated using experimental data. A comparative study of the two predictive models is carried out. The models potentially reproduce key experimental observables with high accuracy and unprecedented inference times relative to those achieved with simulation codes. These models facilitate rapid exploration of a high dimensional input parameter space.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Contrastive learning for robust representations of neutrino data

In neutrino physics, analyses often depend on large simulated datasets, making it essential for models to generalize effectively to real-world detector data. Contrastive learning, a well-established technique in deep learning, offers a promising solution to this challenge. By applying controlled data augmentations to simulated data, contrastive learning enables the extraction of robust and transferable features. This improves the ability of models trained on simulations to adapt to real experimental data distributions. In this paper, we investigate the application of contrastive learning methods in the context of neutrino physics. Through a combination of empirical evaluations and theoretical insights, we demonstrate how contrastive learning enhances model performance and adaptability. Additionally, we compare it to other domain adaptation techniques, highlighting the unique advantages of contrastive learning for this field. Published by the American Physical Society 2025

Wilkinson, Alex (ORCID:0000000253404506)↗
DOE OSTI2021

An Overview of the Usefulness of Machine Learning Techniques on Network Packet Data

Understanding the health and behavior of a computer network allows for better network efficiency and security. We present an overview of various machine learning techniques for classifying network packet data via packet metadata. While some classical machine learning approaches achieve reasonable results, the most accurate classification can be achieved with deep learning. On the four data sets studied herein, a basic deep learning model achieved at or near 100\% classification accuracy. We also propose a method for determining variable importance as a means for potential transfer learning applications to classifying yet unseen network packet data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Virtual to Physical: Reinforcement Learning to Optimize SNS Particle Accelerator Controls

Complex accelerators must have control systems that can handle dynamic nonlinear environments. This makes traditional control methods unsuitable as they can struggle to adapt to these uncertainties. This provides an ideal environment for reinforcement learning algorithms as they are adaptable and generalizable. We present a reinforcement learning pipeline that can effectively handle the dynamics of a complex accelerator. We test and prove our pipelines capabilities on multiple environments including the Spallation Neutron Source (SNS) and the Beam Test Facility (BTF) at Oakridge National Lab (ORNL). Due to the limited time available to train an online algorithm like reinforcement learning on a real accelerator, we utilize a virtual twin accelerator (VIRAC) developed by ORNL to pretrain the policy and show its ability to converge in the virtual environment. We then test the adaptability of the pretrained RL model by applying it on the real accelerator and comparing the results. Utilizing our Scientific Optimization and Controls Toolkit (SOCT) and open-source standards such as Gymnasium we create and solve for a MEBT orbit correction problem in the SNS and an emittance maximization problem in the BTF. We show how Twin Delayed Deep Deterministic Policy Gradient (TD3) can solve this optimization environment in the virtual accelerator and transfer this policy onto the real accelerator for inference and model retraining. We show how reinforcement learning can be utilized as a control system for complex accelerators and provide a model pipeline for how an implementation performs and can be adapted to new accelerator control problems.

Kasparian, Armen [Thomas Jefferson National Accele↗
DOE OSTI2022

Exact constraints and appropriate norms in machine-learned exchange-correlation functionals

Machine learning techniques have received growing attention as an alternative strategy for developing general-purpose density functional approximations, augmenting the historically successful approach of human-designed functionals derived to obey mathematical constraints known for the exact exchange-correlation functional. More recently, efforts have been made to reconcile the two techniques, integrating machine learning and exact-constraint satisfaction. We continue this integrated approach, designing a deep neural network that exploits the exact constraint and appropriate norm philosophy to de-orbitalize the strongly constrained and appropriately normed (SCAN) functional. The deep neural network is trained to replicate the SCAN functional from only electron density and local derivative information, avoiding the use of the orbital-dependent kinetic energy density. The performance and transferability of the machine-learned functional are demonstrated for molecular and periodic systems.

Artificial neural networks↗
DOE OSTI2026

Machine-learning force-field models for dynamical simulations of metallic magnets

We review recent advances in machine-learning (ML) force-field methods for Landau–Lifshitz–Gilbert simulations of itinerant electron magnets, focusing on their scalability and transferability. Built on the principle of locality, a deep neural-network model is developed to efficiently and accurately predict electron-mediated forces governing spin dynamics. Symmetry-aware descriptors constructed through a group-theoretical approach ensure rigorous incorporation of both lattice and spin-rotation symmetries. The framework is demonstrated using the prototypical s-d exchange model widely employed in spintronics. ML-enabled large-scale simulations reveal novel nonequilibrium phenomena, including anomalous coarsening of tetrahedral spin order on the triangular lattice and the freezing of phase-separation dynamics in lightly hole-doped, strong-coupling square-lattice systems. These results establish ML force-field frameworks as scalable, accurate, and versatile tools for modeling nonequilibrium spin dynamics in itinerant magnets.

Artificial neural networks↗
DOE OSTI2023

Deep Learning-Enabled MS/MS Spectrum Prediction Facilitates Automated Identification Of Novel Psychoactive Substances

The market for illicit drugs has been reshaped by the emergence of more than 1100 new psychoactive substances (NPS) over the past decade, posing a major challenge to the forensic and toxicological laboratories tasked with detecting and identifying them. Tandem mass spectrometry (MS/MS) is the primary method used to screen for NPS within seized materials or biological samples. The most contemporary workflows necessitate labor-intensive and expensive MS/MS reference standards, which may not be available for recently emerged NPS on the illicit market. Here, we present NPS-MS, a deep learning method capable of accurately predicting the MS/MS spectra of known and hypothesized NPS from their chemical structures alone. NPS-MS is trained by transfer learning from a generic MS/MS prediction model on a large data set of MS/MS spectra. We show that this approach enables a more accurate identification of NPS from experimentally acquired MS/MS spectra than any existing method. We demonstrate the application of NPS-MS to identify a novel derivative of phencyclidine (PCP) within an unknown powder seized in Denmark without the use of any reference standards. We anticipate that NPS-MS will allow forensic laboratories to identify more rapidly both known and newly emerging NPS. NPS-MS is available as a web server at https://nps-ms.ca/, which provides MS/MS spectra prediction capabilities for given NPS compounds. Additionally, it offers MS/MS spectra identification against a vast database comprising approximately 8.7 million predicted NPS compounds from DarkNPS and 24.5 million predicted ESI-QToF-MS/MS spectra for these compounds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Fracture Characterization Via AI‐Assisted Analysis of Temperature Logs

Abstract Fractures control fluid flow, mass transport, and heat transfer in a geothermal reservoir. This makes accurate characterization of fracture networks a prerequisite for optimal design and control of a reservoir's exploitation. We develop a deep‐learning procedure to identify fracture locations via interpretation of temporally and spatially continuous downhole temperature measurements. A long short‐term memory fully convolutional network (LSTM‐FCN) is used both to capture long‐term dependencies in sequential temperature data and to distill local features around fractures. A wellbore and fractured‐reservoir thermal model is established to generate temperature data for network training. The trained LSTM‐FCN exhibits a unique ability to detect multiple fractures intersecting a borehole. We use the LSTM‐FCN algorithm to evaluate the effectiveness of different‐stage wellbore temperature measurements on fracture detection in a complex fractured system. Our experiments reveal that the use of various‐stage temperature information as an input feature set improves the robustness of fracture detection to noise interference. This study indicates the practical feasibility of obtaining accurate fracture‐network reconstructions from temperature signals, at reasonable computational cost.

Yang, Xiaoyu↗
DOE OSTI2023

Convolutional Neural Networks for Problems in Transport Phenomena: A Theoretical Minimum

Convolutional neural network (CNN), a deep learning algorithm, has gained popularity in technological applications that rely on interpreting images (typically, an image is a 2D field of pixels). Transport phenomena is the science of studying different fields representing mass, momentum, or heat transfer. Some of the common fields are species concentration, fluid velocity, pressure, and temperature. Each of these fields can be expressed as an image(s). Consequently, CNNs can be leveraged to solve specific scientific problems in transport phenomena. Herein, we show that such problems can be grouped into three basic categories: (a) mapping a field to a descriptor (b) mapping a field to another field, and (c) mapping a descriptor to a field. After reviewing the representative transport phenomena literature for each of these categories, we illustrate the necessary steps for constructing appropriate CNN solutions using sessile liquid drops as an exemplar problem. If sufficient training data is available, CNNs can considerably speed up the solution of the corresponding problems. Finally, the present discussion is meant to be minimalistic such that readers can easily identify the transport phenomena problems where CNNs can be useful as well as construct and/or assess such solutions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Federated learning for 2D synchrotron x-ray diffractometry: a cross-institutional approach for phase quantification of Ti–6Al–4V alloy

High-energy Two dimensional (2D) synchrotron x-ray diffractometry provides important insights into the atomistic structure and phase evolution of materials, yet traditional analysis methods remain complex, knowledge-intensive, and computationally demanding. Deep-learning models offer a powerful alternative for automating their analysis. Institutions that hold these datasets may be unwilling to share their data due to privacy and security policies, as well as the challenges associated with large-scale data transfer. As a result, models trained on local datasets often perform well only on their own data but exhibit bias and poor generalization across different instruments or facilities. To overcome these limitations, we explore federated learning (FL) for 2D synchrotron diffractograms, enabling collaborative model training without exchanging raw data. In this study, 2D synchrotron diffractograms of Ti–6Al–4V alloy collected from two independent facilities are used to train convolutional neural networks for predicting the β-phase volume fraction. Experimental results show that federated global models significantly outperform locally trained models in terms of generalization and achieve accuracy comparable to centralized trained models. These findings demonstrate the potential of FL to enable secure, cross-institutional collaboration and enhance the scalability of deep-learning-based materials characterization.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Harnessing Artificial Intelligence for Medical Diagnosis and Treatment During Space Exploration Missions

From May 8th to June 9th, 2023, I had the opportunity to participate in an experiential learning experience at Johnson Space Center in Houston, TX with Exploration Medical Capability (ExMC), an element of the NASA Human Research Program. During this research experience, I was not only able to work on the above titled research project, but also gain an immense exposure to the field of aerospace medicine, make numerous connections within the field, tour NASA facilities, as well as travel to the Aerospace Medical Association Annual Conference (AsMA) in New Orleans. To briefly introduce my project, it is well understood that the medical capabilities available to crew medical officers (CMOs) on the International Space Station will be different than the capabilities available and needed during deep space exploration missions to the Moon, Mars, and beyond. Ground support is particularly limited due to distance, communication delays (or lack of communication), and lack of resupply. Therefore, to support medical care by CMOs on these missions, robust clinical decision support systems (CDSSs) must be designed. The recent publication and public launch of generative artificial intelligence (AI) tools based upon large language models (LLM) such as ChatGPT provides the opportunity to create a smart assistant for onboard triage, diagnosis, and treatment of medical conditions. Ultimately, the overall purpose of the project was to research what AI tools currently exist or are in development, and to see how they might be implemented onboard during exploration class spaceflights of the future. The ExMC element is actively developing several tools to be used in preparation for and during deep space exploration missions. One of those tools, known as IMPACT, is a probabilistic risk assessment model which can be used to propose a desired medical system (based on mass and volume) and suggest the clinical outcomes likely to occur for a design reference mission (DRM). The group recently presented the IMPACT model and a DRM of interest titled “Modified Long Duration Lunar Orbital and Lunar Surface” (mLDLOLS) at the recent AsMA conference. The mLDLOLS mock mission is a 9 month and 6-day deep space exploration mission consisting of time in Moon’s orbit (3 months on the Gateway space station), on the lunar surface (3 months within habitat), and another 3 months on Gateway before return to Earth. For this DRM, IMPACT ultimately outlined a preferred medical system that was then associated with medical conditions considered to be most likely based on frequency, most likely to cause astronaut task time loss (TTL), most likely to cause return to definitive care (RTDC), and most likely cause loss of crew life (LOCL). IMPACT also highlighted the medical capabilities/skills that would be required to care for those medical conditions, such as performing a history of present illness or musculoskeletal exam with ultrasound. The primary objective of the project was to perform a survey of the AI tools and systems applicable to the conditions outlined for the proposed mLDLOLS mission. Using PubMed (including most relevant MeSH terms) and Google Scholar, we then created a robust annotated bibliography organized by condition. The 56-page and over 500 reference annotated bibliography was subsequently used to create a review outline that would become the basis for drafting of a future publication. For the review outline, we took those medical conditions researched within the annotated bibliography (condition-based approach) and deployed a systems-based approach, combining those medical conditions and related tools into ten categories. These categories included general/all-purpose CDSSs, tools to diagnose or manage respiratory, dermatologic, neurologic, auditory and vestibular, ophthalmic, musculoskeletal, infection-associated, and gynecologic conditions, as well as tools that could be deployed in the setting of trauma/emergency. With the completion of the 30-page outline, we then began drafting the review paper. To conclude the research experience, I presented the findings from our survey to the ExMC Clinical and Science team. With these objectives, I ultimately learned about the number of AI tools that exist today to assist medical professionals with the triage, diagnosis, and management of several medical conditions. These tools can span from chatbot assistants to help triage knee pain to vision transformer models that can identify ophthalmic conditions based on ocular surface images captured with a cell phone. We also highlighted the current gaps that exist in the literature alongside the advancements that are needed to make the desired CDSS for deep space exploration missions. With this experience, I certainly confirmed an existing career goal and identified several additional skills needed to become an aerospace medical doctor including knowledge of critical care in an extreme medicine setting, aerospace engineering and human integration systems, artificial intelligence, machine learning, and risk models. I also identified numerous transferable skills for this career goal including the basic knowledge of medicine (MD), deployment of the scientific method for critical thought about new scientific questions (PhD), review of published literature, including creating an annotated bibliography (PhD), as well as detailed scientific writing (PhD). The results of my research will likely guide the design of an all-encompassing onboard medical assistant for use during deep space exploration missions of the future. I plan on sharing the outcomes from this experience with my peers at a student seminar in the Fall semester on August 30th. During the seminar, I will detail the project, my experience at NASA and AsMA, as well as offer best practice guidelines for students entertaining similar experiences or careers. In conclusion, I would like to thank the WVU School of Medicine, Research and Graduate Education office, as well as NASA ExMC for the unwavering support of this life-changing experience.

Ryan A. Lacinski↗
NASA NTRSDate not supplied

NASA SmallSat LEARN Forum Briefing: BioSentinel

We will focus on the technologies developed for BioSentinel, primarily the science payloads. One of them, the BioSensor, is a microfluidics-based instrument that houses a series of fluidic cards and manifolds. The fluidic cards can be loaded with microbial organisms to study the effect of the space environment on biology. For BioSentinel, we used the budding yeast as our model organism to study the response to the radiation environment in both low Earth orbit (ISS) and in deep space. The second instrument is a radiation spectrometer. This sensor allows the quantification of ionizing radiation as well as the characterization of the different particles based on the linear energy transfer or LET. Given that BioSentinel launched this past November (Artemis I), part of the presentation will include lessons learned and how we will apply them to future missions, including LEIA. LEIA was recently selected for a mission to the lunar surface on a CLPS lander vehicle, and is primarily based at NASA Ames.

BioSentinel↗