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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 19 records

The EO-1 Autonomous Science Agent Architecture

An Autonomous Science Agent is currently flying onboard the Earth Observing One Spacecraft. This software enables the spacecraft to autonomously detect and respond to science events occurring on the Earth. The package includes software systems that perform science data analysis, deliberative planning, and run-time robust execution. Because of the deployment to a remote spacecraft, this Autonomous Science Agent has stringent constraints of autonomy, reliability, and limited computing resources. We describe these constraints and how they are reflected in our agent architecture.

Earth Observing One (EO-1)↗

Validating the Autonomous Science Agent

This paper describes the validation process for the Autonomous Science Agent, a software agent that will fly onboard the EO-1 spacecraft from 2003-2004. This agent will recognize science events, retarget the spacecraft to respond to the science events, and reduce data downlink to only the highest value science data. The autonomous science agent has been designed using a layered architectural approach with specific redundant safeguards to reduce the risk of an agent malfunction to the EO-1 spacecraft. This 'safe' design is also in the process of being thoroughly validated by informal validation methods and extensive testing. This paper describes the analysis used to define agent safety, elements of the design that increase the safety of the agent, and the process being used to validate agent safety prior to the agent software controlling the spacecraft.

agent safety↗

Validating the autonomous EO-1 science agent

This paper describes the validation process for the Autonomous Science Agent, a software agent that is currently flying onboard NASA EO-1 spacecraft. The agent autonomously collects, analyzes, and reacts to onboard science data. The Autonomous Science Agent has been designed using a layered architectural approach with specific redundant safeguards to reduce the risk of an agent malfunction to the EO-1 spacecraft. This safe design has been thoroughly validated by informal validation methods supplemented by sub-system and system-level testing. This paper describes the analysis used to define agent safety, elements of the design that increase the safety of the agent, and the process used to validate agent safety.

software↗

Safe Agents in Space: Lessons from the Autonomous Sciencecraft Experiment

An Autonomous Science Agent is currently flying onboard the Earth Observing One Spacecraft. This software enables the spacecraft to autonomously detect and respond to science events occurring on the Earth. The package includes software systems that perform science data analysis, deliberative planning, and run-time robust execution. Because of the deployment to a remote spacecraft, this Autonomous Science Agent has stringent constraints of autonomy, reliability, and limited computing resources. We describe these constraints and how they are reflected in our agent architecture.

Eatth Observing One Spacecraft↗

Safe Agents in Space: Preventing and Responding to Anomalies in the Autonomous Sciencecraft Experiment

This paper describes the design of the Autonomous Sciencecraft Experiment, a software agent that has been running on-board the EO-I spacecraft since 2003. The agent recognizes science events, retargets the spacecraft to respond to the science events, and reduces data downlink to only the highest value science data. The autonomous science agent was designed using a layered architectural approach with specific redundant safeguards to reduce the risk of an agent malfUnction to the EO-I spacecraft. The agent was designed to be "safe" by first preventing anomalies, then by automatically detecting and responding to them when possible. This paper describes elements of the design that increase the safety of the agent, the anomalies that occurred during the experiment, and how the agent responded to these anomalies.

autonomous science agent↗

The Techsat-21 autonomous space science agent

In this paper we discuss how these AI technologies are synergistically integrated in a hybrid multi-layer control architecture to enable a virtual spacecraft science agent.

autonomy software agents onboard decision-making↗

Lessons Learned from Autonomous Sciencecraft Experiment

An Autonomous Science Agent has been flying onboard the Earth Observing One Spacecraft since 2003. This software enables the spacecraft to autonomously detect and responds to science events occurring on the Earth such as volcanoes, flooding, and snow melt. The package includes AI-based software systems that perform science data analysis, deliberative planning, and run-time robust execution. This software is in routine use to fly the EO-l mission. In this paper we briefly review the agent architecture and discuss lessons learned from this multi-year flight effort pertinent to deployment of software agents to critical applications.

Autonomous Sciencecraft Experiment (ASE)↗

The (R)evolution of Scientific Workflows in the Agentic AI Era: Towards Autonomous Science

Modern scientific discovery increasingly requires coordinating distributed facilities and heterogeneous resources, forcing researchers to act as manual workflow coordinators rather than scientists. Advances in AI leading to AI agents show exciting new opportunities that can accelerate scientific discovery by providing intelligence as a component in the ecosystem. However, it is unclear how this new capability would materialize and integrate in the real world. To address this, we propose a conceptual framework where workflows evolve along two dimensions which are intelligence (from static to intelligent) and composition (from single to swarm) to chart an evolutionary path from current workflow management systems to fully autonomous scientific laboratories. With these trajectories in mind, we present an architectural blueprint that can help the community take the next steps towards harnessing the opportunities in autonomous science with the potential for 100x discovery acceleration and transformational scientific workflows.

Shin, Woong [ORNL] (ORCID:0000000172077814)↗

Managing autonomous materials labs with multi-agent AI and its implications for the science of science

Self-driving lab systems (aka, autonomous experimentation) accelerate research - letting scientists learn faster, spend less resources, and fail smarter in well defined, narrow studies. The next-generation materials lab combines self-driving systems to tackle broader challenges - orchestrating complex research campaigns while optimizing lab resources. We propose that agent-based and agentic artificial intelligence will be an integral part of next-generation lab management and discuss potential implementation scenarios. Additionally, digital and physical sandboxes will allow scientists to evaluate diverse and dynamic research and lab management strategies. Beyond the immediate benefit to lab optimization, such sandboxes will enable realistic computational studies of the philosophy of science (i.e., science of science) to achieve higher level scientific efficiencies.

Computer science↗

A Grassroots Network and Community Roadmap for Interconnected Autonomous Science Laboratories for Accelerated Discovery

Scientific discovery is being revolutionized by AI and autonomous systems, yet current autonomous laboratories remain isolated islands unable to collaborate across institutions. We present the Autonomous Interconnected Science Lab Ecosystem (AISLE), a grassroots network transforming fragmented capabilities into a unified system that shorten the path from ideation to innovation to impact and accelerates discovery from decades to months. AISLE addresses five critical dimensions: (1) cross-institutional equipment orchestration, (2) intelligent data management with FAIR compliance, (3) AI-agent driven orchestration grounded in scientific principles, (4) interoperable agent communication interfaces, and (5) AI/ML-integrated scientific education. By connecting autonomous agents across institutional boundaries, autonomous science can unlock research spaces inaccessible to traditional approaches while democratizing cutting-edge technologies. This paradigm shift toward collaborative autonomous science promises breakthroughs in sustainable energy, materials development, and public health.

Ferreira da Silva, Rafael [Oak Ridge National Labo↗

Towards Cross-Facility Workflows Orchestration through Distributed Automation

Modern science relies on end-to-end workflows that incorporate experimental instruments and utilize edge, cloud, or high-performance computing and storage resources. These components are geographically dispersed across various user facilities and interconnected through high-speed networks. In this paper, we present Zambeze, an automated distributed framework designed to facilitate this new class of cross-facility workflows. Utilizing swarm intelligence principles, Zambeze orchestrates science campaigns by managing distributed autonomous agents. These agents can offer a suite of services, including computing, storage, and data management. We demonstrate the feasibility of Zambeze through a real-world application involving electron microscopy, enhanced with Artificial Intelligence capabilities.

Skluzacek, Tyler↗

An agentic artificially intelligent X-ray scientist

Executing experimental tasks in both normal research laboratories and large-scale scientific facilities often requires extensive human supervision and remains a key challenge on the path to fully autonomous, artificial intelligence (AI)-driven science. Here we demonstrate a large language model-driven agent that autonomously performs X-ray sample alignment on a synchrotron beamline by planning actions, executing instrumental commands, interpreting observations and iterating towards experimental goals. Based on existing large language models with structured tool-use via the model context protocol, our AI X-ray scientist was guided and tested using an in-house-built virtual experimental setup that mirrors a six-circle diffractometer at an operational synchrotron beamline. The agentic workflow developed in the virtual environment was directly deployed on a real beamline, where it correctly identified reference reflections and determined the orientation matrix, an essential first step in any type of single-crystal scattering experiment. Our AI X-ray scientist responded effectively to unexpected experimental conditions, demonstrating adaptive problem-solving and readiness for addressing practical experimental situations. Our study provides a step towards autonomous operation across diverse experimental environments at large-scale scattering facilities.

Chen, Zhantao (ORCID:0000000319543868)↗

ToPolyAgent: AI agents for coarse-grained bead-spring topological polymer simulations

We introduce ToPolyAgent, a multi-agent AI framework for performing coarse-grained molecular dynamics (MD) simulations of topological polymers through natural language instructions. By integrating large language models (LLMs) with domain-specific computational tools, ToPolyAgent supports both interactive and autonomous simulation workflows across diverse polymer architectures, including linear, ring, brush, and star polymers, as well as dendrimers. The system consists of four LLM-powered agents: a Config Agent for generating initial polymer–solvent configurations, a Simulation Agent for executing LAMMPS-based MD simulations and conformational analyses, a Report Agent for compiling markdown reports, and a Workflow Agent for streamlined autonomous operations. Interactive mode incorporates user feedback loops for iterative refinements, while autonomous mode enables end-to-end task execution from detailed prompts. We demonstrate ToPolyAgent's versatility through case studies involving diverse polymer architectures under varying solvent conditions, thermostats, and simulation lengths. Furthermore, we highlight its potential as a research assistant by directing it to investigate the effect of interaction parameters on the linear polymer conformation, and the influence of grafting density on the persistence length of the brush polymer. By coupling natural language interfaces with rigorous simulation tools, ToPolyAgent lowers barriers to complex computational workflows and advances AI-driven materials discovery in polymer science. It lays the foundation for autonomous and extensible multi-agent scientific research ecosystems.

Ding, Lijie [Oak Ridge National Laboratory (ORNL),↗

Agent Technology, Complex Adaptive Systems, and Autonomic Systems: Their Relationships

To reduce the cost of future spaceflight missions and to perform new science, NASA has been investigating autonomous ground and space flight systems. These goals of cost reduction have been further complicated by nanosatellites for future science data-gathering which will have large communications delays and at times be out of contact with ground control for extended periods of time. This paper describes two prototype agent-based systems, the Lights-out Ground Operations System (LOGOS) and the Agent Concept Testbed (ACT), and their autonomic properties that were developed at NASA Goddard Space Flight Center (GSFC) to demonstrate autonomous operations of future space flight missions. The paper discusses the architecture of the two agent-based systems, operational scenarios of both, and the two systems autonomic properties.

Truszkowski, Walt↗

Toward Trustworthy Autonomous Science: A Two-Year Community Roadmap

One year ago, the AISLE roadmap argued that autonomous laboratories operated as isolated islands and proposed a grassroots network organized around five critical dimensions. The field has since moved faster than that roadmap anticipated: multi-agent systems have produced experimentally validated hypotheses, self-driving laboratories have grown more interoperable and orchestrated, reasoning-trained and domain foundation models have raised the capability ceiling, and the Genesis Mission has placed autonomous experimentation at the center of U.S. federal science strategy, with industry emerging as a primary actor. Progress has met a sobering counter-current, including a corrected flagship discovery result, benchmarks showing that agents which rival experts on closed-ended questions still complete only a fraction of open-ended research, and fabricated citations surfacing at leading venues. We read this as the defining tension of the field: producing a candidate discovery is no longer the hard part, but verifying it is, and this asymmetry now limits autonomous science more than raw model capability. Accordingly, we update the roadmap around seven dimensions, revisiting the original five and elevating two former cross-cutting concerns, trust, verification, and reproducibility, and safety, security, and governance, to first-class status. We assess the original milestones (M1 through M14) as achieved, partially achieved, reframed, or open, add four new milestones (M15 through M18) for the elevated dimensions, and scope the path forward to a two-year horizon, with the first year concentrating on interfaces, protocol adoption, and the scaffolding of verification, and the second targeting federation, zero-trust coordination, and governance. Throughout, we position the grassroots network as the interoperability fabric that lets national programs, international initiatives, and commercial platforms connect rather than re-silo.

99 GENERAL AND MISCELLANEOUS↗

HURON (HUman and Robotic Optimization Network) Multi-Agent Temporal Activity Planner/Scheduler

HURON solves the problem of how to optimize a plan and schedule for assigning multiple agents to a temporal sequence of actions (e.g., science tasks). Developed as a generic planning and scheduling tool, HURON has been used to optimize space mission surface operations. The tool has also been used to analyze lunar architectures for a variety of surface operational scenarios in order to maximize return on investment and productivity. These scenarios include numerous science activities performed by a diverse set of agents: humans, teleoperated rovers, and autonomous rovers. Once given a set of agents, activities, resources, resource constraints, temporal constraints, and de pendencies, HURON computes an optimal schedule that meets a specified goal (e.g., maximum productivity or minimum time), subject to the constraints. HURON performs planning and scheduling optimization as a graph search in state-space with forward progression. Each node in the graph contains a state instance. Starting with the initial node, a graph is automatically constructed with new successive nodes of each new state to explore. The optimization uses a set of pre-conditions and post-conditions to create the children states. The Python language was adopted to not only enable more agile development, but to also allow the domain experts to easily define their optimization models. A graphical user interface was also developed to facilitate real-time search information feedback and interaction by the operator in the search optimization process. The HURON package has many potential uses in the fields of Operations Research and Management Science where this technology applies to many commercial domains requiring optimization to reduce costs. For example, optimizing a fleet of transportation truck routes, aircraft flight scheduling, and other route-planning scenarios involving multiple agent task optimization would all benefit by using HURON.

Hua, Hook↗

Towards Persistent Space Observations through Autonomous Multi-Agent Formations

Sensing platforms must advance in scale and sophistication in order to support increasingly ambitious missions across Earth and space science; intelligence, surveillance, and reconnaissance (ISR); and planetary exploration. Distributed, persistent observation platforms have the potential to play a pivotal role in next generation missions through improved area coverage, enhanced situational awareness, and faster identification of trends and changes. The Multi-Agent Clusters for Persistent Observations from Space (MACPOS) project at NASA Langley Research Center is developing key technologies for the autonomous, heterogeneous formations that will comprise such platforms. Research thrusts include dynamic formation negotiation for self-assembling clusters of agents, distributed motion planning, and coordinated trajectory execution. Adaptive leader-follower formation negotiation allows agents to cluster and break off as necessary to adapt to both nominal and new mission objectives. Coordinated motion planning and execution maintain the formation while ensuring safe separation distances among agents and obstacles in the environment. These capabilities align MACPOS with NASA’s initiative for space and surface in-situ assembly through fundamental technology development for autonomous multi-agent systems. This paper presents an overview and early progress for the MACPOS project. We describe the system architecture for both individual agents and the overall fleet. Design considerations are given for the planning, control, and metrology subsystems. Finally, we discuss planned project milestones and the expected course of development.

Matthew P Vaughan↗