The Science Discovery Engine: Leveraging Insight Engine Capability to Enable Scientific Search
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Kaylin Bugbee↗
SEARCH · Engineering Papers
Results for “scientific discovery”
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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Workflows Community Summit 2022: A Roadmap Revolution
Scientific workflows have become integral tools in broad scientific computing use cases. Science discovery is increasingly dependent on workflows to orchestrate large and complex scientific experiments that range from the execution of a cloud-based data preprocessing pipeline to multi-facility instrument-to-edge-to-HPC computational workflows. Given the changing landscape of scientific computing (often referred to as a computing continuum) and the evolving needs of emerging scientific applications, it is paramount that the development of novel scientific workflows and system functionalities seek to increase the efficiency, resilience, and pervasiveness of existing systems and applications. Specifically, the proliferation of machine learning/artificial intelligence (ML/AI) workflows, need for processing large-scale datasets produced by instruments at the edge, intensification of near real-time data processing, support for long-term experiment campaigns, and emergence of quantum computing as an adjunct to HPC, have significantly changed the functional and operational requirements of workflow systems. Workflow systems now need to, for example, support data streams from the edge-to-cloud-to-HPC, enable the management of many small-sized files, allow data reduction while ensuring high accuracy, orchestrate distributed services (workflows, instruments, data movement, provenance, publication, etc.) across computing and user facilities, among others. Further, to accelerate science, it is also necessary that these systems implement specifications/standards and APIs for seamless (horizontal and vertical) integration between systems and applications, as well as enable the publication of workflows and their associated products according to the FAIR principles.
97 MATHEMATICS AND COMPUTING↗
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↗
Accelerating the discovery of novel magnetic materials using machine learning–guided adaptive feedback
Magnetic materials are essential for energy generation and information devices, and they play an important role in advanced technologies and green energy economies. Currently, the most widely used magnets contain rare earth (RE) elements. An outstanding challenge of notable scientific interest is the discovery and synthesis of novel magnetic materials without RE elements that meet the performance and cost goals for advanced electromagnetic devices. Here, we report our discovery and synthesis of an RE-free magnetic compound, Fe 3 CoB 2 , through an efficient feedback framework by integrating machine learning (ML), an adaptive genetic algorithm, first-principles calculations, and experimental synthesis. Magnetic measurements show that Fe 3 CoB 2 exhibits a high magnetic anisotropy ( K 1 = 1.2 MJ/m 3 ) and saturation magnetic polarization ( J s = 1.39 T), which is suitable for RE-free permanent-magnet applications. Our ML-guided approach presents a promising paradigm for efficient materials design and discovery and can also be applied to the search for other functional materials.
36 MATERIALS SCIENCE↗
Challenges In Cataloging and Searching Scientific Data Across Disciplines: Lessons Learned from the Science Discovery Engine
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Kaylin Bugbee↗
4th TDAMM Workshop White Paper
Time-Domain and Multi-Messenger Astrophysics (TDAMM) is entering a fundamentally new phase characterized by an unprecedented increase in the rate and diversity of astrophysical transient detections. The community is transitioning from a discovery-limited to a follow-up-limited era, driven by major investments across electromagnetic, gravitational-wave, and neutrino observatories. Upcoming facilities such as the Vera C. Rubin Observatory, the Nancy Grace Roman Space Telescope, and wide-field survey instruments will produce a deluge of time-domain alerts, reaching millions of events per night. Simultaneously, upgrades to the gravitational-wave network (LVK O5 and beyond) and neutrino observatories (IceCube Gen2) will significantly increase the detection rates of non-electromagnetic messengers. New high-energy missions and expansions of the InterPlanetary Network (IPN) will further enhance discovery capabilities across the gamma-ray and X-ray regimes. This convergence of capabilities represents a transformative opportunity: for the first time, the community will routinely detect rare and high-impact events across multiple messengers. However, the scientific return from these discoveries will depend critically on the ability to rapidly identify, prioritize, and coordinate follow-up observations across a heterogeneous and globally distributed set of facilities.
79 ASTRONOMY AND ASTROPHYSICS↗
On-board Science Understanding: NASA Ames' Efforts
In the near future NASA intends to explore various regions of our solar system using robotic devices such as rovers, spacecraft, airplanes, and/or balloons. Such platforms will likely carry imaging devices, and a variety of analytical instruments intended to evaluate the chemical and mineralogical nature of the environment(s) that they encounter. Historically, mission operations have involved: (1) return of scientific data from the craft; (2) evaluation of the data by space scientists; (3) recommendations of the scientists regarding future mission activity; (4) commands for achieving these activities being transmitted to the craft; and (5) the activity being undertaken. This cycle is then repeated for the duration of the mission with command opportunities once or perhaps twice per day. In a rapidly changing environment, such as might be encountered by a rover traversing hundreds of meters a day or a spacecraft encountering an asteroid, this historical cycle is not amenable to rapid long range traverses, discovery of novelty, or rapid response to any unexpected situations. In addition to real-time response issues, the nature of imaging and/or spectroscopic devices are such that tremendous data volumes can be acquired, for example during a traverse. However, such data volumes can rapidly exceed on-board memory capabilities prior to the ability to transmit it to Earth. Additionally, the necessary communication band-widths are restrictive enough so that only a small portion of these data can actually be returned to Earth. Such scenarios clearly require the enabling of some crucial decisions to be made on-board by these robotic explorers. These decisions transcend the electromechanical control, health, and navigation issues associated with robotic operations. Instead they focus upon a long term goal of automating scientific discovery based upon data returned by sensors of the robot craft. Such an approach would eventually enable it to understand what is interesting because the data deviates from expectations generated by current theories/models of planetary processes that could have resulted in the observed data. Such interesting data and/or conclusions can then be selectively transmitted to Earth thus reducing memory and communications demands.
Roush, Ted L.↗
Transitsearch Workshop
The discovery of more than 100 planets around nearby solar-like stars that surpass Jupiter in size yet orbit their stars more quickly than Mercury has heralded a new era in astronomy. These enigmatic 'Hot-Jupiters' are large enough and close enough to their parent stars that their 'transits' can be captured by astronomers equipped with a small computer controlled telescope and a quality electronic CCD camera. The planet reveals its presence through the periodic decrease in brightness as it passes (or transits) in front of the star as seen from Earth. The first known transiting extrasolar planet HD 209458b, in the constellation Pegasus, has been the subject of hundreds of scientific papers since its discovery in 1999. The transit of 8th magnitude HD 209458 has been observed by at least a dozen non-professional astronomers using telescopes as small as 4 inches in aperture. Using equipment already in hand, and armed with target lists, transit time predictions, observing techniques and software procedures developed by astronomers at NASA's Ames Research Center and the University of California at Santa Cruz, non-professional astronomers can contribute significantly to the study of extrasolar planets by carefully measuring the brightness of stars with known Hot-Jupiters. In this way, we may resume (after a two century interruption!) the tradition of planetary discoveries by amateur astronomers begun with William Herschel's 1787 discovery of the 'solar' planet Uranus. In the few years transitsearch has been in existence, investigators Tim Castellano (NASA Ames) and Greg Laughlin (UCSC) have written articles for Sky and Telescope and Astronomy magazines, have been featured in stories by the Reuters News Service, Nature magazine, Science magazine, Space.com, the American Institute of Physics and others and received several hundred thousand total hits on their website www.transitsearch,org.
Castellano, T.↗
Professionals and Emerging Scientists Sharing Science
The Year of the Solar System (YSS) celebration begins in the fall of 2010. As YSS provides a means in which NASA can inspire members of the public about exciting missions to other worlds in our solar system, it is important to remember these missions are about the science being conducted and new discoveries being made. As part of the Year of the Solar System, Astromaterials Research and Exploration Science (ARES) Education, at the NASA Johnson Space Center, will infuse the great YSS celebration within the Expedition Earth and Beyond Program. Expedition Earth and Beyond (EEAB) is an authentic research program for students in grades 5-14 and is a component of ARES Education. Students involved in EEAB have the opportunity to conduct and share their research about Earth and/or planetary comparisons. ARES Education will help celebrate this exciting Year of the Solar System by inviting scientists to share their science. Throughout YSS, each month will highlight a topic related to exploring our solar system. Additionally, special mission events will be highlighted to increase awareness of the exciting missions and exploration milestones. To bring this excitement to classrooms across the nation, the Expedition Earth and Beyond Program and ARES Education will host classroom connection events in which scientists will have an opportunity to share discoveries being made through scientific research that relate to the YSS topic of the month. These interactive presentations will immerse students in some of the realities of exploration and potentially inspire them to conduct their own investigations. Additionally, scientists will share their own story of how they were inspired to pursue a STEM-related career that got them involved in exploration. These career highlights will allow students to understand and relate to the different avenues that scientists have taken to get where they are today. To bring the sharing of science full circle, student groups who conduct research by participating in Expedition Earth and Beyond, will also have the opportunity to virtually share their research. These virtual team presentations will allow these emerging scientists to celebrate their own exploration, and in doing so, contribute to the excitement of the Year of the Solar System. As the public joins NASA in the celebration of YSS, students across the nation will not only be excited by the science and discoveries being made, but will prime themselves with experience to perhaps someday become the new leaders in science, discovery, and NASA.
Graff, P. V.↗
Metadata Authoring with Versatility and Extensibility
NASA's Global Change Master Directory (GCMD) assists the scientific community in the discovery of and linkage to Earth science data sets and related services. The GCMD holds over 13,800 data set descriptions in Directory Interchange Format (DIF) and 700 data service descriptions in Service Entry Resource Format (SERF), encompassing the disciplines of geology, hydrology, oceanography, meteorology, and ecology. Data descriptions also contain geographic coverage information and direct links to the data, thus allowing researchers to discover data pertaining to a geographic location of interest, then quickly acquire those data. The GCMD strives to be the preferred data locator for world-wide directory-level metadata. In this vein, scientists and data providers must have access to intuitive and efficient metadata authoring tools. Existing GCMD tools are attracting widespread usage; however, a need for tools that are portable, customizable and versatile still exists. With tool usage directly influencing metadata population, it has become apparent that new tools are needed to fill these voids. As a result, the GCMD has released a new authoring tool allowing for both web-based and stand-alone authoring of descriptions. Furthermore, this tool incorporates the ability to plug-and-play the metadata format of choice, offering users options of DIF, SERF, FGDC, ISO or any other defined standard. Allowing data holders to work with their preferred format, as well as an option of a stand-alone application or web-based environment, docBUlLDER will assist the scientific community in efficiently creating quality data and services metadata.
Pollack, Janine↗
GFINNs: GENERIC formalism informed neural networks for deterministic and stochastic dynamical systems
Here we propose the GENERIC formalism informed neural networks (GFINNs) that obey the symmetric degeneracy conditions of the GENERIC formalism. GFINNs comprise two modules, each of which contains two components. We model each component using a neural network whose architecture is designed to satisfy the required conditions. The component-wise architecture design provides flexible ways of leveraging available physics information into neural networks. We prove theoretically that GFINNs are sufficiently expressive to learn the underlying equations, hence establishing the universal approximation theorem. We demonstrate the performance of GFINNs in three simulation problems: gas containers exchanging heat and volume, thermoelastic double pendulum and the Langevin dynamics. In all the examples, GFINNs outperform existing methods, hence demonstrating good accuracy in predictions for both deterministic and stochastic systems.
97 MATHEMATICS AND COMPUTING↗
An open science exploration of global 1-km simulations of the earth's atmosphere
We are making available a multi-petabyte data set for open science via a data hackathon. The participants bring their science to the computing and data facility, alleviating the need to transfer and manage the large volume of data. This accelerates the process of discovery science while increasing scientific throughput.
Anantharaj, Valentine↗
Multiscale Patterning from Competing Interactions and Length Scales
We live in an era of complexity marked by impressive new tools powering the scientific method to accelerate discovery, prediction, and control of increasingly complex systems. In common with many disciplines and societal challenges and opportunities, materials and condensed matter sciences are beneficiaries. The volume and fidelity of experimental, computational, and visualization data available, and tools to rapidly interpret them, are remarkable. Conceptual frameworks, including multiscale, multiphysics modeling of this complexity, are fueled by the data and, in turn, guide directions for future experimental and computational strategies. In this spirit, we discuss the importance of competing interactions, length scales, and constraints as pervasive sources of spatio-temporal complexity. We use representative examples drawn from materials and condensed matter, including the important role of elasticity in some technologically important quantum materials.
36 MATERIALS SCIENCE↗
Thermal surveillance of active volcanoes
The author has identified the following significant results. There are three significant scientific results of the discovery of 48 pinpoint anomalies on the upper flanks of Mt. Rainier: (1) Many of these points may actually be the location of fumarolic vapor emission or warm ground considerably below the summit crater. (2) Discovery of these small anomalies required specific V/H scanner settings for precise elevation on Mt. Rainier's flank, to avoid smearing the anomalies to the point of nonrecognition. Several past missions flown to map the thermal anomalies of the summit area did not/detect the flank anomalies. (3) This illustrates the value of the aerial IR scanner as a geophysical tool suited to specific problem-oriented missions, in contrast to its more general value in a regional or reconnaissance anomaly-mapping role.
Friedman, J. D.↗
Trace elements in Antarctic meteorites: Weathering and genetic information
Antarctic meteorite discoveries have created great scientific interest due to the large number of specimens recovered (approximately 7000) and because included are representatives of hitherto rare or unknown types. Antarctic meteorites are abundant because they have fallen over long periods and were preserved, transported, and concentrated by the ice sheets. The weathering effects on the Antarctic meteorites are described. Weathering effects of trace element contents of H5 chondrites were studied in detail. The results are examined. The properties of Antarctic finds and non-Antarctic falls are discussed.
Lipschutz, M. E.↗
In Interactive, Web-Based Approach to Metadata Authoring
NASA's Global Change Master Directory (GCMD) serves a growing number of users by assisting the scientific community in the discovery of and linkage to Earth science data sets and related services. The GCMD holds over 8000 data set descriptions in Directory Interchange Format (DIF) and 200 data service descriptions in Service Entry Resource Format (SERF), encompassing the disciplines of geology, hydrology, oceanography, meteorology, and ecology. Data descriptions also contain geographic coverage information, thus allowing researchers to discover data pertaining to a particular geographic location, as well as subject of interest. The GCMD strives to be the preeminent data locator for world-wide directory level metadata. In this vein, scientists and data providers must have access to intuitive and efficient metadata authoring tools. Existing GCMD tools are not currently attracting. widespread usage. With usage being the prime indicator of utility, it has become apparent that current tools must be improved. As a result, the GCMD has released a new suite of web-based authoring tools that enable a user to create new data and service entries, as well as modify existing data entries. With these tools, a more interactive approach to metadata authoring is taken, as they feature a visual "checklist" of data/service fields that automatically update when a field is completed. In this way, the user can quickly gauge which of the required and optional fields have not been populated. With the release of these tools, the Earth science community will be further assisted in efficiently creating quality data and services metadata. Keywords: metadata, Earth science, metadata authoring tools
Pollack, Janine↗
NASA and The Semantic Web
We provide an overview of several ongoing NASA endeavors based on concepts, systems, and technology from the Semantic Web arena. Indeed NASA has been one of the early adopters of Semantic Web Technology and we describe ongoing and completed R&D efforts for several applications ranging from collaborative systems to airspace information management to enterprise search to scientific information gathering and discovery systems at NASA.
Ashish, Naveen↗
Prospects for an Improved Measurement of Experimental Limit on G-dot
The orbital motion of an ultra-drag-free satellite, such as the large test body of the SEE (Satellite Energy Exchange) satellite, known as the "Shepherd," may possibly provide the best test for time variation of the gravitational constant G at the level of parts in 10(exp 14). Scarcely anything could be more significant scientifically than the incontestable discovery that a fundamental "constant" of Nature is not constant. A finding of non-zero (G-dot)/G would clearly mark the boundaries where general relativity is valid, and specify the onset of new physics. The requirements for measuring G-dot at the level proposed by SEE will require great care in treating perturbation forces. In the present paper we concentrate on the methods for dealing with the gravitational field due to possible large manufacturing defects in the SEE observatory. We find that, with adequate modeling of the perturbation forces and cancellation methods, the effective time-averaged acceleration on the SEE Shepherd will be approx. 10(exp -18) g (10(exp -17) m/sq s).
Sanders, Alvin J.↗