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At least 613 records · Page 34

All sources NASA NTRS DOE OSTI

DOE OSTI2024

Artificial Intelligence Transforming Post-Translational Modification Research

Post-Translational Modifications (PTMs) are covalent changes to amino acids that occur after protein synthesis, including covalent modifications on side chains and peptide backbones. Many PTMs profoundly impact cellular and molecular functions and structures, and their significance extends to evolutionary studies as well. In light of these implications, we have explored how artificial intelligence (AI) can be utilized in researching PTMs. Initially, rationales for adopting AI and its advantages in understanding the functions of PTMs are discussed. Then, various deep learning architectures and programs, including recent applications of language models, for predicting PTM sites on proteins and the regulatory functions of these PTMs are compared. Finally, our high-throughput PTM-data-generation pipeline, which formats data suitably for AI training and predictions is described. We hope this review illuminates areas where future AI models on PTMs can be improved, thereby contributing to the field of PTM bioengineering.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

An Experiment with LLMs as Database Design Tutors: Persistent Equity and Fairness Challenges in Online Learning

As large language models (LLMs) continue to evolve, their capacity to replace humans as their surrogates is also improving. As increasing numbers of intelligent tutoring systems (ITSs) are embracing the integration of LLMs for digital tutoring, questions are arising as to how effective they are and if their hallucinatory behaviors diminish their perceived advantages. One critical question that is seldom asked if the availability, plurality, and relative weaknesses in the reasoning process of LLMs are contributing to the much discussed digital divide and equity and fairness in online learning. In this paper, we present an experiment with database design theory assignments and demonstrate that while their capacity to reason logically is improving, LLMs are still prone to serious errors. We demonstrate that in online learning and in the absence of a human instructor, LLMs could introduce inequity in the form of “wrongful” tutoring that could be devastatingly harmful for learners, which we call ignorant bias, in increasingly popular digital learning. We also show that significant challenges remain for STEM subjects, especially for subjects for which sound and free online tutoring systems exist. Based on the set of use cases, we formulate a possible direction for an effective ITS for online database learning classes of the future.

Jamil, Hasan M. (ORCID:0000000231243780)↗

DOE OSTI2022

Machine Reading at Scale: A Search Engine for Scientific and Academic Research

The Internet, much like our universe, is ever-expanding. Information, in the most varied formats, is continuously added to the point of information overload. Consequently, the ability to navigate this ocean of data is crucial in our day-to-day lives, with familiar tools such as search engines carving a path through this unknown. In the research world, articles on a myriad of topics with distinct complexity levels are published daily, requiring specialized tools to facilitate the access and assessment of the information within. Recent endeavors in artificial intelligence, and in natural language processing in particular, can be seen as potential solutions for breaking information overload and provide enhanced search mechanisms by means of advanced algorithms. As the advent of transformer-based language models contributed to a more comprehensive analysis of both text-encoded intents and true document semantic meaning, there is simultaneously a need for additional computational resources. Information retrieval methods can act as low-complexity, yet reliable, filters to feed heavier algorithms, thus reducing computational requirements substantially. In this work, a new search engine is proposed, addressing machine reading at scale in the context of scientific and academic research. It combines state-of-the-art algorithms for information retrieval and reading comprehension tasks to extract meaningful answers from a corpus of scientific documents. The solution is then tested on two current and relevant topics, cybersecurity and energy, proving that the system is able to perform under distinct knowledge domains while achieving competent performance.

Sousa, Norberto (ORCID:0000000329194817)↗

DOE OSTI2024

EPBD-BERT

This framework aids in Transcription factor binding site prediction given DNA sequence information and DNA biophysical characteristics computed by pyDNA-EPBD. This framework utilizes a large language model for binding site prediction.

Kabir, Anowarul↗

DOE OSTI2025

ADEPT: A Pedagogical Framework for Integrating Agentic AI with Deterministic Scientific Workflows

The integration of Large Language Models (LLMs) into scientific research promises to accelerate discovery, yet a significant gap remains between the dynamic reasoning of Artificial Intelligence (AI) agents and the static, deterministic nature of canonical scientific workflows. This paper introduces ADEPT (Agentic Discovery and Exploration Platform for Tools), a reference architecture and pedagogical framework explicitly designed to bridge this gap. ADEPT's primary mission is to provide a transparent, "glass-box" environment where researchers and engineers can learn to effectively wrap established scientific software (e.g., BLAST, Nextflow pipelines) and compose it into reliable, agent-driven workflows. We describe its modular, multi-server architecture, which leverages the Model Context Protocol (MCP) for tool serving, LangGraph for robust agentic orchestration, and a secure nsjail-based sandbox for safe code execution. By prioritizing architectural clarity, safety, and modularity, ADEPT serves as an extensible blueprint for building trustworthy AI-augmented systems and fosters the collaborative development necessary to responsibly employ agentic AI for science. We provide practical examples of how to adapt and extend this framework, highlighting its utility in workforce development and AI-readiness capabilities across research and development projects.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

Plant Bioengineering Atlas: A Knowledge Graph of Genes, DNA Constructs, and Plant Traits.

Plant bioengineering has generated tens of thousands of genotype-to-phenotype relationships, but this knowledge remains fragmented across narrative literature and difficult to use computationally. Inconsistent descriptions of DNA constructs, host species, and traits, including variable species names, omitted regulatory elements, and inconsistent gene symbols, impede data reuse, comparative analysis, and design-build-test-learn cycles. Here, we present the Plant Bioengineering Atlas, a literature-mined, ontology-grounded knowledge base assembled using an artificial intelligence (AI)-aided extraction pipeline. A large language model parsed open-access primary research articles to generate structured, provenance-anchored records of engineered genes, modification types, promoter-gene-terminator constructs, host species, target traits, and reported phenotypes, with every record traceable to its source. The current release contains 14,358 curated records encompassing 6,998 distinct genes across 436 plant species from 6,452 papers published between 2000 and 2026. Corpus analysis reveals that experiments are concentrated in a small group of model and crop species, disease and pathogen resistance is the most frequently engineered trait class, and constitutive regulatory parts (particularly the CaMV 35S promoter and NOS terminator) remain pervasive. Two in five records omit one or both flanking regulatory elements (i.e., promoter and terminator), while only 23.4% describe cassettes in which both elements resolve to named part classes, exposing a systematic reproducibility gap. We organize these data into a knowledge graph linking genes, constructs, species, and traits; provide access through an interactive web portal; and propose an AI-compatible documentation standard for AI-ready reporting. The Plant Bioengineering Atlas provides a foundation for data-driven hypothesis generation and AI-aided plant biodesign.

, Genes, DNA Constructs↗

NASA NTRS1986

An abstract language for specifying Markov reliability models

Markov models can be used to compute the reliability of virtually any fault tolerant system. However, the process of delineating all of the states and transitions in a model of complex system can be devastatingly tedious and error-prone. An approach to this problem is presented utilizing an abstract model definition language. This high level language is described in a nonformal manner and illustrated by example.

Butler, Ricky W.↗

NASA NTRS1991

Theoretical foundations for information representation and constraint specification

Research accomplished at the Knowledge Based Systems Laboratory of the Department of Industrial Engineering at Texas A&M University is described. Outlined here are the theoretical foundations necessary to construct a Neutral Information Representation Scheme (NIRS), which will allow for automated data transfer and translation between model languages, procedural programming languages, database languages, transaction and process languages, and knowledge representation and reasoning control languages for information system specification.

Menzel, Christopher P.↗

NASA NTRS1993

Automatic array alignment in data-parallel programs

FORTRAN 90 and other data-parallel languages express parallelism in the form of operations on data aggregates such as arrays. Misalignment of the operands of an array operation can reduce program performance on a distributed-memory parallel machine by requiring nonlocal data accesses. Determining array alignments that reduce communication is therefore a key issue in compiling such languages. We present a framework for the automatic determination of array alignments in array-based, data-parallel languages. Our language model handles array sectioning, reductions, spreads, transpositions, and masked operations. We decompose alignment functions into three constituents: axis, stride, and offset. For each of these subproblems, we show how to solve the alignment problem for a basic block of code, possibly containing common subexpressions. Alignments are generated for all array objects in the code, both named program variables and intermediate results. We assign computation to processors by virtue of explicit alignment of all temporaries; the resulting work assignment is in general better than that provided by the 'owner-computes' rule. Finally, we present some ideas for dealing with control flow, replication, and dynamic alignments that depend on loop induction variables.

Chatterjee, Siddhartha↗

NASA NTRS1992

Artificial intelligence support for scientific model-building

Scientific model-building can be a time-intensive and painstaking process, often involving the development of large and complex computer programs. Despite the effort involved, scientific models cannot easily be distributed and shared with other scientists. In general, implemented scientific models are complex, idiosyncratic, and difficult for anyone but the original scientific development team to understand. We believe that artificial intelligence techniques can facilitate both the model-building and model-sharing process. In this paper, we overview our effort to build a scientific modeling software tool that aids the scientist in developing and using models. This tool includes an interactive intelligent graphical interface, a high-level domain specific modeling language, a library of physics equations and experimental datasets, and a suite of data display facilities.

Keller, Richard M.↗

NASA NTRS2001

Automatic Debugging Support for UML Designs

Design of large software systems requires rigorous application of software engineering methods covering all phases of the software process. Debugging during the early design phases is extremely important, because late bug-fixes are expensive. In this paper, we describe an approach which facilitates debugging of UML requirements and designs. The Unified Modeling Language (UML) is a set of notations for object-orient design of a software system. We have developed an algorithm which translates requirement specifications in the form of annotated sequence diagrams into structured statecharts. This algorithm detects conflicts between sequence diagrams and inconsistencies in the domain knowledge. After synthesizing statecharts from sequence diagrams, these statecharts usually are subject to manual modification and refinement. By using the "backward" direction of our synthesis algorithm. we are able to map modifications made to the statechart back into the requirements (sequence diagrams) and check for conflicts there. Fed back to the user conflicts detected by our algorithm are the basis for deductive-based debugging of requirements and domain theory in very early development stages. Our approach allows to generate explanations oil why there is a conflict and which parts of the specifications are affected.

Schumann, Johann↗

NASA NTRS2001

Automatic Synthesis of UML Designs from Requirements in an Iterative Process

The Unified Modeling Language (UML) is gaining wide popularity for the design of object-oriented systems. UML combines various object-oriented graphical design notations under one common framework. A major factor for the broad acceptance of UML is that it can be conveniently used in a highly iterative, Use Case (or scenario-based) process (although the process is not a part of UML). Here, the (pre-) requirements for the software are specified rather informally as Use Cases and a set of scenarios. A scenario can be seen as an individual trace of a software artifact. Besides first sketches of a class diagram to illustrate the static system breakdown, scenarios are a favorite way of communication with the customer, because scenarios describe concrete interactions between entities and are thus easy to understand. Scenarios with a high level of detail are often expressed as sequence diagrams. Later in the design and implementation stage (elaboration and implementation phases), a design of the system's behavior is often developed as a set of statecharts. From there (and the full-fledged class diagram), actual code development is started. Current commercial UML tools support this phase by providing code generators for class diagrams and statecharts. In practice, it can be observed that the transition from requirements to design to code is a highly iterative process. In this talk, a set of algorithms is presented which perform reasonable synthesis and transformations between different UML notations (sequence diagrams, Object Constraint Language (OCL) constraints, statecharts). More specifically, we will discuss the following transformations: Statechart synthesis, introduction of hierarchy, consistency of modifications, and "design-debugging".

Schumann, Johann↗

NASA NTRS2001

Designing Control System Application Software for Change

The Unified Modeling Language (UML) was used to design the Environmental Systems Test Stand (ESTS) control system software. The UML was chosen for its ability to facilitate a clear dialog between software designer and customer, from which requirements are discovered and documented in a manner which transposes directly to program objects. Applying the UML to control system software design has resulted in a baseline set of documents from which change and effort of that change can be accurately measured. As the Environmental Systems Test Stand evolves, accurate estimates of the time and effort required to change the control system software will be made. Accurate quantification of the cost of software change can be before implementation, improving schedule and budget accuracy.

Boulanger, Richard↗

NASA NTRS2004

Control System Architectures, Technologies and Concepts for Near Term and Future Human Exploration of Space

Technologies that facilitate the design and control of complex, hybrid, and resource-constrained systems are examined. This paper focuses on design methodologies, and system architectures, not on specific control methods that may be applied to life support subsystems. Honeywell and Boeing have estimated that 60-80Y0 of the effort in developing complex control systems is software development, and only 20-40% is control system development. It has also been shown that large software projects have failure rates of as high as 50-65%. Concepts discussed include the Unified Modeling Language (UML) and design patterns with the goal of creating a self-improving, self-documenting system design process. Successful architectures for control must not only facilitate hardware to software integration, but must also reconcile continuously changing software with much less frequently changing hardware. These architectures rely on software modules or components to facilitate change. Architecting such systems for change leverages the interfaces between these modules or components.

Boulanger, Richard↗

NASA NTRS2006

Evolving EO-1 Sensor Web Testbed Capabilities in Pursuit of GEOSS

A viewgraph presentation to evolve sensor web capabilities in pursuit of capabilities to support Global Earth Observing System of Systems (GEOSS) is shown. The topics include: 1) Vision to Enable Sensor Webs with "Hot Spots"; 2) Vision Extended for Communication/Control Architecture for Missions to Mars; 3) Key Capabilities Implemented to Enable EO-1 Sensor Webs; 4) One of Three Experiments Conducted by UMBC Undergraduate Class 12-14-05 (1 - 3); 5) Closer Look at our Mini-Rovers and Simulated Mars Landscae at GSFC; 6) Beginning to Implement Experiments with Standards-Vision for Integrated Sensor Web Environment; 7) Goddard Mission Services Evolution Center (GMSEC); 8) GMSEC Component Catalog; 9) Core Flight System (CFS) and Extension for GMSEC for Flight SW; 10) Sensor Modeling Language; 11) Seamless Ground to Space Integrated Message Bus Demonstration (completed December 2005); 12) Other Experiments in Queue; 13) Acknowledgements; and 14) References.

Mandi, Dan↗

NASA NTRS2006

Are You Talking to Me? Dialogue Systems Supporting Mixed Teams of Humans and Robots

This position paper describes an approach to building spoken dialogue systems for environments containing multiple human speakers and hearers, and multiple robotic speakers and hearers. We address the issue, for robotic hearers, of whether the speech they hear is intended for them, or more likely to be intended for some other hearer. We will describe data collected during a series of experiments involving teams of multiple human and robots (and other software participants), and some preliminary results for distinguishing robot-directed speech from human-directed speech. The domain of these experiments is Mars-analogue planetary exploration. These Mars-analogue field studies involve two subjects in simulated planetary space suits doing geological exploration with the help of 1-2 robots, supporting software agents, a habitat communicator and links to a remote science team. The two subjects are performing a task (geological exploration) which requires them to speak with each other while also speaking with their assistants. The technique used here is to use a probabilistic context-free grammar language model in the speech recognizer that is trained on prior robot-directed speech. Intuitively, the recognizer will give higher confidence to an utterance if it is similar to utterances that have been directed to the robot in the past.

Dowding, John↗

NASA NTRS2008

Space Telecommunications Radio System Software Architecture Concepts and Analysis

The Space Telecommunications Radio System (STRS) project investigated various Software Defined Radio (SDR) architectures for Space. An STRS architecture has been selected that separates the STRS operating environment from its various waveforms and also abstracts any specialized hardware to limit its effect on the operating environment. The design supports software evolution where new functionality is incorporated into the radio. Radio hardware functionality has been moving from hardware based ASICs into firmware and software based processors such as FPGAs, DSPs and General Purpose Processors (GPPs). Use cases capture the requirements of a system by describing how the system should interact with the users or other systems (the actors) to achieve a specific goal. The Unified Modeling Language (UML) is used to illustrate the Use Cases in a variety of ways. The Top Level Use Case diagram shows groupings of the use cases and how the actors are involved. The state diagrams depict the various states that a system or object may be in and the transitions between those states. The sequence diagrams show the main flow of activity as described in the use cases.

Handler, Louis M.↗

NASA NTRS2009

Spinoff 2009

Topics covered include: Image-Capture Devices Extend Medicine's Reach; Medical Devices Assess, Treat Balance Disorders; NASA Bioreactors Advance Disease Treatments; Robotics Algorithms Provide Nutritional Guidelines; "Anti-Gravity" Treadmills Speed Rehabilitation; Crew Management Processes Revitalize Patient Care; Hubble Systems Optimize Hospital Schedules; Web-based Programs Assess Cognitive Fitness; Electrolyte Concentrates Treat Dehydration; Tools Lighten Designs, Maintain Structural Integrity; Insulating Foams Save Money, Increase Safety; Polyimide Resins Resist Extreme Temperatures; Sensors Locate Radio Interference; Surface Operations Systems Improve Airport Efficiency; Nontoxic Resins Advance Aerospace Manufacturing; Sensors Provide Early Warning of Biological Threats; Robot Saves Soldier's Lives Overseas (MarcBot); Apollo-Era Life Raft Saves Hundreds of Sailors; Circuits Enhance Scientific Instruments and Safety Devices; Tough Textiles Protect Payloads and Public Safety Officers; Forecasting Tools Point to Fishing Hotspots; Air Purifiers Eliminate Pathogens, Preserve Food; Fabrics Protect Sensitive Skin from UV Rays; Phase Change Fabrics Control Temperature; Tiny Devices Project Sharp, Colorful Images; Star-Mapping Tools Enable Tracking of Endangered Animals; Nanofiber Filters Eliminate Contaminants; Modeling Innovations Advance Wind Energy Industry; Thermal Insulation Strips Conserve Energy; Satellite Respondent Buoys Identify Ocean Debris; Mobile Instruments Measure Atmospheric Pollutants; Cloud Imagers Offer New Details on Earth's Health; Antennas Lower Cost of Satellite Access; Feature Detection Systems Enhance Satellite Imagery; Chlorophyll Meters Aid Plant Nutrient Management; Telemetry Boards Interpret Rocket, Airplane Engine Data; Programs Automate Complex Operations Monitoring; Software Tools Streamline Project Management; Modeling Languages Refine Vehicle Design; Radio Relays Improve Wireless Products; Advanced Sensors Boost Optical Communication, Imaging; Tensile Fabrics Enhance Architecture Around the World; Robust Light Filters Support Powerful Imaging Devices; Thermoelectric Devices Cool, Power Electronics; Innovative Tools Advance Revolutionary Weld Technique; Methods Reduce Cost, Enhance Quality of Nanotubes; Gauging Systems Monitor Cryogenic Liquids; Voltage Sensors Monitor Harmful Static; and Compact Instruments Measure Heat Potential.

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