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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Developing Open-Source Training Materials for AI/ML and Space Biological Sciences Using NASA Cloud-Based Data

Artificial Intelligence (AI) and Machine Learning (ML) has gained significant traction in the biological and biomedical research fields, in part due to a culture of open data sharing and reuse. AI/ML methodology is well-suited to recognize and predict biological patterns from high-dimensional next-generation sequencing data (e.g. whole genome sequencing, transcriptomic sequencing), as well as from biological or medical imaging data (e.g. microscopy, computed tomography, ultrasound, magnetic resonance imaging, radiography). These methodologies hold particular promise for space biosciences research and automated space health monitoring systems. However, there are key considerations for properly training, validating, and testing a machine learning model in biological research or clinical application. Inexperienced researchers can produce models that perform poorly outside of the training dataset. Open Science principles such as data sharing and open-source code must go hand-in-hand with publicly available, high-quality training curricula in best practices, with modules centered on real-life scientific use cases and data so future AI/ML practitioners gain experience on real problems. Here we present the development of open-source training materials for AI/ML and space biosciences, as part of the NASA Transform to Open Science Training (TOPST) initiative. We develop 4 independent training programs, focused on the following topics: 1) Fundamentals of Machine Learning and Space Biosciences Domain, 2) Open Science, Artificial Intelligence, and Ethical Best Practices for Data Sharing and Analysis, 3) Using AI/ML Classification to Identify Gene Networks Affected By Space Exposure in Mouse Liver, and 4) Using Neural Networks to Find DNA Damage Patterns in Immune Cells after Radiation. All programs leverage cloud-based NASA biological datasets. The curriculum we present will enable worldwide access to training in AI/ML and scientific analysis.

James Casaletto↗
NASA NTRSDate not supplied

Developing Open-Source Training Materials for AI/ML and Space Biological Sciences Using NASA Cloud-Based Data

Artificial Intelligence (AI) and Machine Learning (ML) has gained significant traction in the biological and biomedical research fields in the last two decades, in part thanks to an increasing culture of open data sharing and reuse. Due to its capability for identifying complex relationships and patterns, AI/ML methodology is particularly well suited to recognize and predict biological patterns from high-dimensional next-generation sequencing data (e.g. whole genome sequencing, transcriptomic sequencing), as well as from biological or medical imaging data (e.g. microscopy, computed tomography, ultrasound, magnetic resonance imaging, radiography). These methodologies hold particular promise for space biosciences research and automated space health monitoring systems. However, there are many key considerations for properly training, validating, and testing a machine learning model in biological research or clinical application. Even with the positive culture of Open Science and data sharing, inexperienced researchers working quickly without proper checks can produce models that perform poorly outside of the immediate training dataset. Lessons learned from biological AI/ML research indicate that Open Science principles such as data sharing and open-source code must go hand-in-hand with publicly available, high-quality training curricula in best practices, with modules centered on real-life scientific use cases and data so future AI/ML practitioners gain experience on real problems. Here we present the development of open-source training materials for AI/ML and space biosciences, as part of the NASA Transform to Open Science Training (TOPST) initiative. We develop 4 independent training programs, focused on the following topics: 1) Fundamentals of Machine Learning and Space Biosciences Domain, 2) Open Science, Artificial Intelligence, and Ethical Best Practices for Data Sharing and Analysis, 3) Using AI/ML Classification to Identify Gene Networks Affected By Space Exposure in Mouse Liver, and 4) Using Neural Networks to Find DNA Damage Patterns in Immune Cells after Radiation. All programs leverage cloud-based NASA biological datasets. The curriculum we present will enable worldwide access to training in AI/ML and scientific analysis.

James Andrew Casaletto↗
DOE OSTI2022

The Geothermal Artificial Intelligence for geothermal exploration

Exploration of geothermal resources involves analysis and management of a large number of uncertainties, which makes investment and operations decisions challenging. Remote Sensing (RS), Machine Learning (ML) and Artificial Intelligence (AI) have potential in managing the challenges of geothermal exploration. In this paper, we present a methodology that integrates RS, ML and AI to create an initial assessment of geothermal potential, by resorting to known indicators of geothermal areas namely mineral markers, surface temperature, faults and deformation. We demonstrated the implementation of the method in two sites (Brady and Desert Peak geothermal sites) that are close to each other but have different characteristics (Brady having clear surface manifestations and Desert Peak being a blind site). Here, we processed various satellite images and geospatial data for mineral markers, temperature, faults and deformation and then implemented ML methods to obtain pattern of surface manifestation of geothermal sites. We developed an AI that uses patterns from surface manifestations to predict geothermal potential of each pixel. We tested the Geothermal AI using independent data sets obtaining accuracy of 92-95%; also tested the Geothermal AI trained on one site by executing it for the other site to predict the geothermal / non-geothermal delineation, the Geothermal AI performed quite well in prediction with 72-76% accuracy.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

Cross-property deep transfer learning framework for enhanced predictive analytics on small materials data

Abstract Artificial intelligence (AI) and machine learning (ML) have been increasingly used in materials science to build predictive models and accelerate discovery. For selected properties, availability of large databases has also facilitated application of deep learning (DL) and transfer learning (TL). However, unavailability of large datasets for a majority of properties prohibits widespread application of DL/TL. We present a cross-property deep-transfer-learning framework that leverages models trained on large datasets to build models on small datasets of different properties. We test the proposed framework on 39 computational and two experimental datasets and find that the TL models with only elemental fractions as input outperform ML/DL models trained from scratch even when they are allowed to use physical attributes as input, for 27/39 (≈ 69%) computational and both the experimental datasets. We believe that the proposed framework can be widely useful to tackle the small data challenge in applying AI/ML in materials science.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Application of Artificial Intelligence/Machine Learning to Operations Research

This report examines the transformative impact of Artificial Intelligence (AI) and Machine Learning (ML) on operations research, private industry, and government sectors, highlighting their applications in automating processes, enhancing decision-making, and optimizing complex systems. AI/ML technologies have revolutionized industries through predictive maintenance, supply chain optimization, and autonomous systems, while also advancing public safety and defense operations. However, challenges such as data integrity, model transparency, and the need for human oversight persist, particularly in high-consequence environments. The report emphasizes the critical role of explainable AI (XAI) and human-computer interaction models like Human-in-the-Loop (HITL) and Human-on-the-Loop (HOTL) in fostering trust and accountability. Balancing automation with ethical responsibility and transparency is essential for the continued successful integration of AI/ML into operational and strategic decision-making frameworks.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

A review on recent machine learning applications for imaging mass spectrometry studies

Imaging mass spectrometry (IMS) is a powerful analytical technique widely used in biology, chemistry, and materials science fields that continue to expand. IMS provides a qualitative compositional analysis and spatial mapping with high chemical specificity. The spatial mapping information can be 2D or 3D depending on the analysis technique employed. Due to the combination of complex mass spectra coupled with spatial information, large high-dimensional datasets (hyperspectral) are often produced. Therefore, the use of automated computational methods for an exploratory analysis is highly beneficial. The fast-paced development of artificial intelligence (AI) and machine learning (ML) tools has received significant attention in recent years. These tools, in principle, can enable the unification of data collection and analysis into a single pipeline to make sampling and analysis decisions on the go. There are various ML approaches that have been applied to IMS data over the last decade. Here, in this review, we discuss recent examples of the common unsupervised (principal component analysis, non-negative matrix factorization, k-means clustering, uniform manifold approximation and projection), supervised (random forest, logistic regression, XGboost, support vector machine), and other methods applied to various IMS datasets in the past five years. The information from this review will be useful for specialists from both IMS and ML fields since it summarizes current and representative studies of computational ML-based exploratory methods for IMS.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Machine learning to extend and understand the sources and limits of water cycle predictability on subseasonal-to-decadal timescales in the Earth system

This white paper provides initial insight on how artificial intelligence (AI) and machine learning (ML), including interpretability and explainable AI (XAI) methods, can be leveraged to glean insight from complex data for a paradigm-changing improvement in Earth system predictability on subseasonal-to-seasonal (S2S) and seasonal-to-decadal (S2D) timescales. The application of AI to extend and improve predictability, in combination with causal inference and uncertainty quantification, could lead to a transformative understanding of the integrative water cycle and associated extremes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Training self-learning circuits for power-efficient solutions

As the size and ubiquity of artificial intelligence and computational machine learning models grow, the energy required to train and use them is rapidly becoming economically and environmentally unsustainable. Recent laboratory prototypes of self-learning electronic circuits, such as “physical learning machines,” open the door to analog hardware that directly employs physics to learn desired functions from examples at a low energy cost. In this work, we show that this hardware platform allows for an even further reduction in energy consumption by using good initial conditions and a new learning algorithm. Using analytical calculations, simulations, and experiments, we show that a trade-off emerges when learning dynamics attempt to minimize both the error and the power consumption of the solution—greater power reductions can be achieved at the cost of decreasing solution accuracy. Finally, we demonstrate a practical procedure to weigh the relative importance of error and power minimization, improving the power efficiency given a specific tolerance to error.

Stern, Menachem (ORCID:0000000302158082)↗
DOE OSTI2022

Developments in Online Monitoring Technologies for Autonomous Microreactor Operations

This report presents the results of an ongoing research and development (R&D) effort to develop an online monitoring (OLM) system to support autonomous microreactor operations. A key component of this work is an evaluation of Artificial Intelligence (AI) and Machine Learning (ML) techniques to identify, diagnose, and predict problems with sensors and processes of the reactor. As described herein, selected methods of AI/ML were used to identify and diagnose anomalous sensor and system behaviors using data from a thermal-hydraulic flow loop and from operating nuclear power plants. This work serves to further the state-of-the-art in OLM technologies for nuclear reactor applications and will ultimately result in a comprehensive system to enable OLM of critical structures, systems, components, and processes in microreactors.

Machine learning↗
NASA NTRS2022

Virtual Assistant for First Responders Using Natural Language Understanding and Optical Character Recognition

Commercial deep learning capabilities are available for many applications such as computer vision processing and intelligent chat bots. The Google Cloud Platform product Google Dialogflow provides lifelike conversational artificial intelligence (AI) using machine learning (ML) to generate natural conversations between computers and humans. This ML utilizes natural language understanding (NLU) to recognize a user’s intent and extracts key information into a form of entities. We have developed a user-friendly application through understanding the hazardous material database, first aid safety guidelines and observing the process of first responders who access this information in the field. We created the Trusted and Explainable Artificial Intelligence for Saving Lives (TruePAL) virtual assistant using Dialogflow1 and TensorFlow2 paired with EasyOCR.3 The chatbot supports first responders by providing voice interaction which helps limit additional steps such as browsing through multiple categories when searching for information. Using feedback from our field interviews, the voice interface has been developed to enable the first responder to focus on the immediate emergency. With less distractions, the first responder is able to engage the incident more effectively. The partial hands-free TruePAL chatbot assistant improves the accessibility to the correct guidance by an average of 1.9 seconds compared to the widely used application, NIH WISER, which requires full attention to operate. We combined this intelligent chatbot with a separate visual processing capability to produce hazardous signage analysis and generate the proper guidance for first responders. With the evolving functionality of AI tools, the use of virtual assistants in first responder technology will be an advancement, benefiting the safety of both first responders and civilians.

Chow, Edward↗
NASA NTRSDate not supplied

Space Flown Rodent Liver RNA Sequencing Data for Machine Learning in Space Biology Research

High-throughput nucleic acid sequencing (DNA-seq, RNA-seq) has become widespread in biomedical research due to the growing availability and affordability of these assays. Data analysis has been accelerated in recent years by the adoption of artificial intelligence (AI) and machine learning (ML) techniques by biomedical researchers. In space biology research, RNAseq datasets from space-flown experimental samples are critical for characterizing the gene expression aberrations associated with exposure to spaceflight stressors. However, space biological experiments tend to be very low sample size, so identifying proper AI/ML algorithms for sequencing data analysis is an ongoing challenge since these algorithms typically require large sample size. The NASA Science Mission Directorate (SMD) has started the “Benchmark Initiative for AI/ML”, focused on creating datasets meant for three main applications: 1) scientific benchmarking, which finds the best algorithm for a specific problem; 2) application benchmarking, which measures algorithm performance against a set of parameters; and 3) system benchmarking, which evaluates performance of hardware and software architecture. These scientific benchmarks consist of an AI-ready dataset and a reference implementation on a specific scientific question. In this work, we focused on generating standardized datasets to allow the scientific community to benchmark AI/ML algorithms in the domain of space biology. We present here a standardized, AI-ready, publicly available benchmark dataset for space biology RNA-seq data as a collaboration between the NASA AI4LS (Artificial Intelligence for Life Sciences) working group. and NASA’s SMD. This dataset consists of space-flown and ground control mouse liver found in the NASA GeneLab omics database. However, to amplify the small sample number (n=112 samples) for ML purposes, we employ Gaussian noise and a generative adversarial network to extend this dataset to 6,000 synthetic samples, matching the original gene expression characteristics.

James Casaletto↗
NASA NTRSDate not supplied

Biological Research and Space Health Enabled by Machine Learning to Support Deep Space Missions

A key science goal of the NASA “Moon to Mars” campaign is to understand how biology responds to the Lunar, Martian, and deep space environments in order to advance fundamental knowledge and support human space missions. Through artificial intelligence (AI) and machine learning (ML), a paradigm shift has begun in space biosciences and engineered astronaut health systems, to enable Earth-independence and mission operations autonomy. We describe current AI/ML methods to support 1) fundamental biology, 2) in situ analytics, 3) high performance computing, 4) automated science, 5) self-driving labs, 6) remote data management, 7) integrated mission biomonitoring, and 8) a Precision Space Health system. AI/ML approaches that can be integrated to support these domains include active learning, explainable AI, adaptive learning, causal inference, knowledge graphs, federated learning, transfer learning, and large language models. Finally, we present results from several current ML projects that are underway in the space biology field to address key challenges of small sample n, high feature count, heterogeneity, and sparse data. These include 1) connecting omics to phenotypic data using an ensemble model to infer causality of rodent liver health disruption, 2) usage of explainable ML to interrogate muscular underpinnings of muscle atrophy, 3) ML models analyzing and determining directed acyclic graphs of human health risk leveraging rodent bone datasets, 4) usage of large pre-trained models connecting biomedical knowledgebases with small spaceflight datasets to understand gene-to-gene interactions, and 5) a suite of benchmarked open science datasets enabling programmers to identify best algorithms to answer space biology questions.

space biology↗
DOE OSTI2024

Machine Learning-Enabled Image Classification for Automated Electron Microscopy

Abstract Traditionally, materials discovery has been driven more by evidence and intuition than by systematic design. However, the advent of “big data” and an exponential increase in computational power have reshaped the landscape. Today, we use simulations, artificial intelligence (AI), and machine learning (ML) to predict materials characteristics, which dramatically accelerates the discovery of novel materials. For instance, combinatorial megalibraries, where millions of distinct nanoparticles are created on a single chip, have spurred the need for automated characterization tools. This paper presents an ML model specifically developed to perform real-time binary classification of grayscale high-angle annular dark-field images of nanoparticles sourced from these megalibraries. Given the high costs associated with downstream processing errors, a primary requirement for our model was to minimize false positives while maintaining efficacy on unseen images. We elaborate on the computational challenges and our solutions, including managing memory constraints, optimizing training time, and utilizing Neural Architecture Search tools. The final model outperformed our expectations, achieving over 95% precision and a weighted F-score of more than 90% on our test data set. This paper discusses the development, challenges, and successful outcomes of this significant advancement in the application of AI and ML to materials discovery.

Materials Science↗
DOE OSTI2021

Evaluating Deception Detection Model Robustness To Linguistic Variation

With the increasing use of automated, machine learning-driven tools and the downstream impact that algorithmic judgements can have, it is critical to develop models that are robust to evolving or manipulated inputs. Evaluating the reliability of multimodal models across linguistic variations to understand model susceptibility to intentional linguistic adversarial attacks as well as natural linguistic variations is essential in this pursuit. We present extensive analysis of model robustness and susceptibility to linguistic variations in the setting of deceptive news detection, a difficult classification task that is an increasingly important problem to solve with the impact of misinformation spread online. We evaluate the effectiveness of incorporating adversarial defense strategies and measure model susceptibility to state-of-the-art adversarial attacks using two types of linguistic attacks — character and word perturbations. We consider two multiclass prediction tasks — a 3-way classification of tweets as trustworthy, propaganda, or disinformation; and a 4-way classification as clickbait, hoax, satire, or conspiracy — and compare the performance of three embeddings that have been state-of-the-art for several NLP tasks — GloVe, ELMo, and BERT — to highlight consistent trends in susceptibility, high confidence misclassifications, and high impact failures. We find that character or mixed ensemble models are the most effective defense mechanisms and that character perturbations are a more effective attack than word perturbations for deception classification.

adversarial evaluation↗
NASA NTRSDate not supplied

Biological Research and Space Health Enabled by Machine Learning to Support Deep Space Missions

A key science goal of the NASA “Moon to Mars” campaign is to understand how biology responds to the Lunar, Martian, and deep space environments in order to advance fundamental knowledge, reduce risk, and support safe, productive human space missions. Through the powerful emerging computer science approaches of artificial intelligence (AI) and machine learning (ML), a paradigm shift has begun in biomedical science and engineered astronaut health systems, to enable Earth-independence and autonomy of mission operations. We present a decadal view of AI/ML architecture to support deep space mission goals, developed in concert with leaders in the field. We describe current AI/ML methods to support 1) fundamental biology, 2) in situ analytics, 3) high performance computing hardware, 4) automated science, 5) self-driving labs, 6) remote data management, 7) integrated real-time mission biomonitoring, and 8) a Precision Space Health system. Cutting-edge AI/ML approaches that can be integrated to support these domains include active learning, explainable AI, adaptive learning, causal inference, knowledge graphs, federated learning, transfer learning, and large language models. Finally, we present results from several current ML projects that are underway in the field to address key challenges of small sample n, high feature count, heterogeneity, and sparse data. These include 1) connecting omics data to phenotypic data using an ensemble model to infer causality of spaceflight rodent liver health disruption, 2) usage of explainable ML to interrogate the muscular underpinnings of spaceflight muscle atrophy, 3) ML models analyzing and determining directed acyclic graphs of human space health risk leveraging rodent bone datasets, 4) usage of large pre-trained models connecting biomedical knowledgebases with small spaceflight datasets to understand gene-to-gene interaction networks, and 5) a suite of benchmarked open science datasets (spaceflight mouse liver; radiation DNA damage) enabling programmers to identify the best ML algorithms to answer space biological science questions.

space biology↗
NASA NTRSDate not supplied

Biological Research and Space Health Enabled by Machine Learning to Support Deep Space Missions

A key science goal of the NASA “Moon to Mars” campaign is to understand how biology responds to the Lunar, Martian, and deep space environments in order to advance fundamental knowledge, reduce risk, and support safe, productive human space missions. Through the powerful emerging computer science approaches of artificial intelligence (AI) and machine learning (ML), a paradigm shift has begun in biomedical science and engineered astronaut health systems, to enable Earth-independence and autonomy of mission operations. We present a decadal view of AI/ML architecture to support deep space mission goals, developed in concert with leaders in the field. We describe current AI/ML methods to support 1) fundamental biology, 2) in situ analytics, 3) high performance computing hardware, 4) automated science, 5) self-driving labs, 6) remote data management, 7) integrated real-time mission biomonitoring, and 8) a Precision Space Health system. Cutting-edge AI/ML approaches that can be integrated to support these domains include active learning, explainable AI, adaptive learning, causal inference, knowledge graphs, federated learning, transfer learning, and large language models. Finally, we present results from several current ML projects that are underway in the field to address key challenges of small sample n, high feature count, heterogeneity, and sparse data. These include 1) connecting omics data to phenotypic data using an ensemble model to infer causality of spaceflight rodent liver health disruption, 2) usage of explainable ML to interrogate the muscular underpinnings of spaceflight muscle atrophy, 3) ML models analyzing and determining directed acyclic graphs of human space health risk leveraging rodent bone datasets, 4) usage of large pre-trained models connecting biomedical knowledgebases with small spaceflight datasets to understand gene-to-gene interaction networks, and 5) a suite of benchmarked open science datasets (spaceflight mouse liver; radiation DNA damage) enabling programmers to identify the best ML algorithms to answer space biological science questions.

space biology↗
DOE OSTI2024

In Silico Chemical Experiments in the Age of AI: From Quantum Chemistry to Machine Learning and Back

Computational chemistry is an indispensable tool for understanding molecules and predicting chemical properties. However, traditional computational methods face significant challenges due to the difficulty of solving the Schrödinger equations and the increasing computational cost with the size of the molecular system. In response, there has been a surge of interest in leveraging artificial intelligence (AI) and machine learning (ML) techniques to in silico experiments. Integrating AI and ML into computational chemistry increases the scalability and speed of the exploration of chemical space. However, challenges remain, particularly regarding the reproducibility and transferability of ML models. This review highlights the evolution of ML in learning from, complementing, or replacing traditional computational chemistry for energy and property predictions. Starting from models trained entirely on numerical data, a journey set forth toward the ideal model incorporating or learning the physical laws of quantum mechanics. This paper also reviews existing computational methods and ML models and their intertwining, outlines a roadmap for future research, and identifies areas for improvement and innovation. Ultimately, the goal is to develop AI architectures capable of predicting accurate and transferable solutions to the Schrödinger equation, thereby revolutionizing in silico experiments within chemistry and materials science.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Supporting Nuclear Energy Research with MLOps

Artificial intelligence (AI) and machine learning (ML) have been shown to be increasingly helpful tools in a growing number of use-cases relevant to scientific research, despite significant software-related obstacles. There exist large technical costs to setting up, using, and maintaining AI/ML models in production. This often prevents researchers from utilizing these models in their work. The growing field of machine learning operations (MLOps) aims to automate much of the AI/ML life cycle while increasing access to these models. This paper presents our initial work in creating a nuclear energy MLOps platform for use by researchers at Idaho National Laboratory (INL) and aims to reduce the barriers of using AI/ML in scientific research. We hope to promote the integration of the latest AI/ML technologies into researchers' workflows and create more opportunity for scientific innovation. In this paper we discuss how our MLOps efforts aim to increase usage and the impact of AI/ML models created by engineers. We also present several use-cases that are currently integrated. Finally, we evaluate the maturity of our project as well as our plans for future functionality.

97 MATHEMATICS AND COMPUTING↗