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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 109 records · Page 6

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NASA NTRS1983

An overview of computer-based natural language processing

Computer based Natural Language Processing (NLP) is the key to enabling humans and their computer based creations to interact with machines in natural language (like English, Japanese, German, etc., in contrast to formal computer languages). The doors that such an achievement can open have made this a major research area in Artificial Intelligence and Computational Linguistics. Commercial natural language interfaces to computers have recently entered the market and future looks bright for other applications as well. This report reviews the basic approaches to such systems, the techniques utilized, applications, the state of the art of the technology, issues and research requirements, the major participants and finally, future trends and expectations. It is anticipated that this report will prove useful to engineering and research managers, potential users, and others who will be affected by this field as it unfolds.

Gevarter, W. B.↗

NASA NTRS1992

JTEC panel report on machine translation in Japan

The goal of this report is to provide an overview of the state of the art of machine translation (MT) in Japan and to provide a comparison between Japanese and Western technology in this area. The term 'machine translation' as used here, includes both the science and technology required for automating the translation of text from one human language to another. Machine translation is viewed in Japan as an important strategic technology that is expected to play a key role in Japan's increasing participation in the world economy. MT is seen in Japan as important both for assimilating information into Japanese as well as for disseminating Japanese information throughout the world. Most of the MT systems now available in Japan are transfer-based systems. The majority of them exploit a case-frame representation of the source text as the basis of the transfer process. There is a gradual movement toward the use of deeper semantic representations, and some groups are beginning to look at interlingua-based systems.

Carbonell, Jaime↗

DOE OSTI2025

Computational toolkit for predicting thickness of 2D materials using machine learning and autogenerated dataset by large language model

The thickness of 2D materials not only plays a crucial role in determining the performance of nanoelectronic and optoelectronic devices but also introduces complexities in predicting volume-dependent properties, such as energy storage capacity, due to the intrinsic vacuum within these materials. Although a plethora of experimental techniques, including but not limited to optical contrast, Raman spectroscopy, nonlinear optical spectroscopy, near-field optical imaging, and hyperspectral imaging, facilitate the measurement of 2D material thickness, comprehensive data for many materials remain elusive. Over the past decade, the exponential proliferation of 2D materials and their heterostructures has outstripped the capabilities of conventional experimental and computational approaches. In this evolving landscape, machine learning (ML) has emerged as an indispensable tool, offering a scalable approach to augment these traditional methodologies. Addressing the critical gap, we introduce THICK2D—Thickness Hierarchy Inference and Calculation Kit for 2D Materials. This Python-based computational framework harnesses an autogenerated thickness database, developed using large language models, and advanced ML algorithms to facilitate the rapid and scalable estimation of material thickness, relying solely on crystallographic data. To demonstrate the utility and robustness of THICK2D, we successfully used the toolkit to predict the thickness of more than 8000 2D-based materials, sourced from two extensive 2D materials databases. THICK2D is disseminated as an open-source utility, accessible on GitHub at https://github.com/gmp007/THICK2D, and archived on Zenodo at https://10.5281/zenodo.11216648.

Ekuma, Chinedu E. (ORCID:0000000258527556)↗

NASA NTRS1978

A high level language for a high performance computer

The proposed computational aerodynamic facility will join the ranks of the supercomputers due to its architecture and increased execution speed. At present, the languages used to program these supercomputers have been modifications of programming languages which were designed many years ago for sequential machines. A new programming language should be developed based on the techniques which have proved valuable for sequential programming languages and incorporating the algorithmic techniques required for these supercomputers. The design objectives for such a language are outlined.

Perrott, R. H.↗

NASA NTRSDate not supplied

A Natural Language Understanding Approach for Digitizing Aircraft Ground Taxi Instructions

Advancements in natural language processing (NLP) technologies offer a unique opportunity to furnish aircraft crews, primarily pilots, with digital instructions for taxiing operations. Digital taxi instructions, delivered either as text or graphics, can streamline taxiing procedures, thereby reducing radio congestion, minimizing communication errors, and enhancing aircraft monitoring. Techniques used for natural language understanding (NLU), a subset of NLP focused on machine comprehension of natural language, can extract taxi instructions directly from verbal radio communications. This capability paves the way for implementing a digital taxi communication framework with minimal adjustments to the existing air traffic controller operations. This paper delves into a novel application of NLU: the automated generation of digital taxi instructions from air traffic controller speech. We detail the development of an annotation scheme to represent aircraft ground traffic communications within the US National Airspace System (NAS), employing intent classification (IC) and slot filling (SF) to extract taxi instructions using NLU models. Several neural network models were trained on a dataset annotated with our scheme, achieving notable accuracy and F1 scores. Our research demonstrates the feasibility of using NLU to automatically generate digital taxi instructions, showcasing its potential to streamline the implementation of digital taxi communications.

LSTM↗

NASA NTRSDate not supplied

A Natural Language Understanding Approach for Digitizing Aircraft Ground Taxi Instructions

Advancements in natural language processing (NLP) technologies offer a unique opportunity to furnish aircraft crews, primarily pilots, with digital instructions for taxiing operations. Digital taxi instructions, delivered either as text or graphics, can streamline taxiing procedures, thereby reducing radio congestion, minimizing communication errors, and enhancing aircraft monitoring. Techniques used for natural language understanding (NLU), a subset of NLP focused on machine comprehension of natural language, can extract taxi instructions directly from verbal radio communications. This capability paves the way for implementing a digital taxi communication framework with minimal adjustments to the existing air traffic controller operations. This paper delves into a novel application of NLU: the automated generation of digital taxi instructions from air traffic controller speech. We detail the development of an annotation scheme to represent aircraft ground traffic communications within the US National Airspace System (NAS), employing intent classification (IC) and slot filling (SF) to extract taxi instructions using NLU models. Several neural network models were trained on a dataset annotated with our scheme, achieving notable accuracy and 𝐹1 scores. Our research demonstrates the feasibility of using NLU to automatically generate digital taxi instructions, showcasing its potential to streamline the implementation of digital taxi communications.

ATC↗

NASA NTRS1987

Types of verbal interaction with instructable robots

An instructable robot is one that accepts instruction in some natural language such as English and uses that instruction to extend its basic repertoire of actions. Such robots are quite different in conception from autonomously intelligent robots, which provide the impetus for much of the research on inference and planning in artificial intelligence. Examined here are the significant problem areas in the design of robots that learn from vebal instruction. Examples are drawn primarily from our earlier work on instructable robots and recent work on the Robotic Aid for the physically disabled. Natural-language understanding by machines is discussed as well as in the possibilities and limits of verbal instruction. The core problem of verbal instruction, namely, how to achieve specific concrete action in the robot in response to commands that express general intentions, is considered, as are two major challenges to instructability: achieving appropriate real-time behavior in the robot, and extending the robot's language capabilities.

Crangle, C.↗

DOE OSTI2025

AI-powered topic modeling: comparing LDA and BERTopic in analyzing opioid-related cardiovascular risks in women

Topic modeling is a crucial technique in natural language processing (NLP), enabling the extraction of latent themes from large text corpora. Traditional topic modeling, such as Latent Dirichlet Allocation (LDA), faces limitations in capturing the semantic relationships in the text document although it has been widely applied in text mining. BERTopic, created in 2022, leveraged advances in deep learning and can capture the contextual relationships between words. In this work, we integrated Artificial Intelligence (AI) modules to LDA and BERTopic and provided a comprehensive comparison on the analysis of prescription opioid-related cardiovascular risks in women. Opioid use can increase the risk of cardiovascular problems in women such as arrhythmia, hypotension etc. 1,837 abstracts were retrieved and downloaded from PubMed as of April 2024 using three Medical Subject Headings (MeSH) words: “opioid,” “cardiovascular,” and “women.” Machine Learning of Language Toolkit (MALLET) was employed for the implementation of LDA. BioBERT was used for document embedding in BERTopic. Eighteen was selected as the optimal topic number for MALLET and 23 for BERTopic. ChatGPT-4-Turbo was integrated to interpret and compare the results. The short descriptions created by ChatGPT for each topic from LDA and BERTopic were highly correlated, and the performance accuracies of LDA and BERTopic were similar as determined by expert manual reviews of the abstracts grouped by their predominant topics. The results of the t-SNE (t-distributed Stochastic Neighbor Embedding) plots showed that the clusters created from BERTopic were more compact and well-separated, representing improved coherence and distinctiveness between the topics. Our findings indicated that AI algorithms could augment both traditional and contemporary topic modeling techniques. In addition, BERTopic has the connection port for ChatGPT-4-Turbo or other large language models in its algorithm for automatic interpretation, while with LDA interpretation must be manually, and needs special procedures for data pre-processing and stop words exclusion. Therefore, while LDA remains valuable for large-scale text analysis with resource constraints, AI-assisted BERTopic offers significant advantages in providing the enhanced interpretability and the improved semantic coherence for extracting valuable insights from textual data.

Research & Experimental Medicine↗

DOE OSTI2026

matsim-agents v1.0

matsim-agents is a multi-agent AI framework for atomistic materials simulation and discovery. It orchestrates large language models (LLMs), machine-learned interatomic potentials (MLIPs), and DFT codes into a single agentic loop running on laptops and DOE leadership-class supercomputers. MULTI-AGENT ORCHESTRATION A LangGraph state machine with three nodes: a Planner that converts a natural-language research objective into structured tasks; an Executor that dispatches atomistic tools and loops until the queue is empty; and an Analyst that summarizes results into a human-readable report. State is checkpointed after every step and human-in-the-loop gates can be inserted at any edge. HYPOTHESIS-DRIVEN DISCOVERY CHAT An interactive REPL (matsim-agents chat) that couples LLM dialogue with atomistic simulation. Chemical formulas are automatically detected in conversation turns and trigger a full crystal-phase exploration: structure generation → relaxation → stability scoring → result injection back into the conversation, creating a closed hypothesis-refinement loop. CRYSTAL PHASE ENUMERATION Given a composition, the phase explorer enumerates prototypes by stoichiometry: elemental (fcc/bcc/hcp/sc/diamond), binary 1:1 (rocksalt/CsCl/zincblende/ wurtzite/fluorite/rutile), ternary 1:1:3 (cubic perovskite), ternary 1:2:4 (perovskite + spinel), quaternary 1:1:2:6 (Fm-3m double perovskite). 2-D prototypes (graphene, h-BN, MoS2 2H/1T) and multilayer stacking are also supported via --include-2d and --num-layers. SUPERCELL GENERATION AND SITE DECORATION Auto-tiling to a minimum atom count (--min-atoms), explicit NxNxN tiling (--supercell), symmetry-distinct site decorations (--n-orderings), and isotropic lattice-scale sweeps (--lattice-scales) for volume bracketing. MLFF RELAXATION AND STABILITY SCORING HydraGNN (multi-headed GNN) drives structure relaxation via ASE with FIRE, BFGS, or BFGSLineSearch. Stability output: delta-E/atom ranking across phases and a max-residual-force dynamical-stability proxy. Other MLIPs (MACE, NequIP, Orb) can be plugged in through the same interface. DFT BACKENDS Quantum ESPRESSO pw.x and VASP 6.6 are first-class labellers. Both have validated GPU builds and SLURM/PBS launchers for three DOE platforms: Frontier (AMD MI250X, ROCm), Aurora (Intel PVC, oneAPI), Perlmutter (NVIDIA A100, CUDA). QE produces ~100 binaries (pw.x, ph.x, epw.x, ...). VASP supports scf, relax, vc-relax, and vc-relax-shape run types. ACTIVE-LEARNING LOOP matsim-agents al run CONFIG.yaml drives an iterative HydraGNN-DFT loop: MD generates candidates → ensemble/MC-dropout uncertainty selects the most informative → DFT labels them in parallel inside one allocation → dataset grows → HydraGNN retrains → repeat. DFT backend is a single YAML toggle (dft.backend: vasp | qe). LLM-generated seed structures are supported (no curated POSCAR library needed). Config uses ${VAR}, ${VAR:-default}, ${VAR:?msg} shell-style substitution for cross-user/cross-site portability. LLM BACKENDS Ollama (local, default), vLLM (HPC multi-GPU serving), OpenAI, Anthropic, HuggingFace Transformers+Accelerate. Selected at runtime via flag or env var with no code changes. HPC PORTABILITY Same Python entry points run on Frontier (ROCm 7.2), Aurora (oneAPI), and Perlmutter (CUDA 12). DFT and ML stacks are never co-loaded in the same shell; they couple through the scheduler and filesystem. Advanced multi-node launchers (serve, discovery-chat, single-relaxation, active-learning, QE warm-start) are provided for all three platforms. CODABENCH COMPETITION BUNDLE A self-contained benchmark: 159 atomistic test structures across 11 material classes, 5 tasks (formation energy, forces, ML relaxation, AI-DFT relaxation, phase stability ranking), public/private leaderboard split (30/70), and four ready-to-run baselines: MACE-MP-0, HydraGNN, UMA, AllScAIP.

Lupo Pasini, Massimiliano [Oak Ridge National Labo↗

NASA NTRS1984

Modeling the weather with a data flow supercomputer

A static concept of data flow architecture is considered for a supercomputer for weather modeling. The machine level instructions are loaded into specific memory locations before computation is initiated, with only one instruction active at a time. The machine would have processing element, functional unit, array memory, memory routing and distribution routing network elements all contained on microprocessors. A value-oriented algorithmic language (VAL) would be employed and would have, as basic operations, simple functions deriving results from operand values. Details of the machine language format, computations with an array and file processing procedures are outlined. A global weather model is discussed in terms of a static architecture and the potential computation rate is analyzed. The results indicate that detailed design studies are warranted to quantify costs and parts fabrication requirements.

Dennis, J. B.↗

DOE OSTI2024

Assessment of fine-tuned large language models for real-world chemistry and material science applications

The current generation of large language models (LLMs) has limited chemical knowledge. Recently, it has been shown that these LLMs can learn and predict chemical properties through fine-tuning. Using natural language to train machine learning models opens doors to a wider chemical audience, as field-specific featurization techniques can be omitted. In this work, we explore the potential and limitations of this approach. We studied the performance of fine-tuning three open-source LLMs (GPT-J-6B, Llama-3.1-8B, and Mistral-7B) for a range of different chemical questions. We benchmark their performances against “traditional” machine learning models and find that, in most cases, the fine-tuning approach is superior for a simple classification problem. Depending on the size of the dataset and the type of questions, we also successfully address more sophisticated problems. The most important conclusions of this work are that, for all datasets considered, their conversion into an LLM fine-tuning training set is straightforward and that fine-tuning with even relatively small datasets leads to predictive models. These results suggest that the systematic use of LLMs to guide experiments and simulations will be a powerful technique in any research study, significantly reducing unnecessary experiments or computations.

Van Herck, Joren↗

DOE OSTI2024

Assessing the evolution of research topics in a biological field using plant science as an example

Scientific advances due to conceptual or technological innovations can be revealed by examining how research topics have evolved. But such topical evolution is difficult to uncover and quantify because of the large body of literature and the need for expert knowledge in a wide range of areas in a field. Using plant biology as an example, we used machine learning and language models to classify plant science citations into topics representing interconnected, evolving subfields. The changes in prevalence of topical records over the last 50 years reflect shifts in major research trends and recent radiation of new topics, as well as turnover of model species and vastly different plant science research trajectories among countries. Our approaches readily summarize the topical diversity and evolution of a scientific field with hundreds of thousands of relevant papers, and they can be applied broadly to other fields.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1974

Computer programs: Special applications. A compilation

Computer programs are reported of technological developments in: management techniques, measurements and testing programs, and navigation and tracking programs. Machine requirements, program language, and the reporting source are included for the dissemination of information.

Source record↗

NASA NTRS1987

A bibliography on parallel and vector numerical algorithms

This is a bibliography of numerical methods. It also includes a number of other references on machine architecture, programming language, and other topics of interest to scientific computing. Certain conference proceedings and anthologies which have been published in book form are listed also.

Ortega, J. M.↗

NASA NTRS1988

A bibliography on parallel and vector numerical algorithms

This is a bibliography on numerical methods. It also includes a number of other references on machine architecture, programming language, and other topics of interest to scientific computing. Certain conference proceedings and anthologies which have been published in book form are also listed.

Ortega, James M.↗

NASA NTRS1988

The integrated analysis capability (IAC Level 2.0)

The critical data management issues involved in the development of the integral analysis capability (IAC), Level 2, to support the design analysis and performance evaluation of large space structures, are examined. In particular, attention is given to the advantages and disadvantages of the formalized data base; merging of the matrix and relational data concepts; data types, query operators, and data handling; sequential versus direct-access files; local versus global data access; programming languages and host machines; and data flow techniques. The discussion also covers system architecture, recent system level enhancements, executive/user interface capabilities, and technology applications.

Frisch, Harold P.↗

NASA NTRS1990

Experience with abstract notation one

The development of computer science has produced a vast number of machine architectures, programming languages, and compiler technologies. The cross product of these three characteristics defines the spectrum of previous and present data representation methodologies. With regard to computer networks, the uniqueness of these methodologies presents an obstacle when disparate host environments are to be interconnected. Interoperability within a heterogeneous network relies upon the establishment of data representation commonality. The International Standards Organization (ISO) is currently developing the abstract syntax notation one standard (ASN.1) and the basic encoding rules standard (BER) that collectively address this problem. When used within the presentation layer of the open systems interconnection reference model, these two standards provide the data representation commonality required to facilitate interoperability. The details of a compiler that was built to automate the use of ASN.1 and BER are described. From this experience, insights into both standards are given and potential problems relating to this development effort are discussed.

Harvey, James D.↗

NASA NTRS1990

A bibliography on parallel and vector numerical algorithms

Ortega, James M.↗