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Building MCP-native hierarchical AI scientist ecosystems: a perspective on scaling multi-agent scientific discovery

Large language models (LLMs) are evolving from chatbots with limited tool-using capabilities to agentic AI systems that can perform deep research, assist in proposing hypotheses, help design experiments, automate data analysis, and draft scientific reports. However, there are currently two bottlenecks limiting LLMs' real-world impact on the broader scientific research community beyond academic demonstrations: lack of interoperability (repetitive manual tool-integration is required across scenarios) and the need for scalable coordination (unstructured communication and memory become brittle as the number of agents grows). In this Perspective, we argue that the next phase of agentic scientific discovery requires the development of an ecosystem of protocol-native agents and tools organized through hierarchies inspired by human society, beyond the current paradigm of a single monolithic “AI scientist”. We use Model Context Protocol (MCP) as a concrete example of an emerging interoperability layer for scientific tool and context exchange, and we propose three complementary pathways to increase the scaling capabilities of an MCP-native scientific ecosystem by addressing the composability issues: (1) MCP servers for high-value scientific tools maintained by domain experts, (2) automated transformation of existing code repositories into MCP services, and (3) autonomous invention and evolution of new agents and workflows. Finally, we provide a practical roadmap for scaling AI-driven scientific discovery by expanding tool supply and coordination in MCP-native scientific ecosystems.

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

Atmospheric model development in support of SEASAT. Volume 5: Test results with fine-mesh (187 by 187 by 10) model

A model (187 x 187 grid with ten layers) was used to produce a 24 hour forecast using initial conditions for 1200Z, 20 May 1976. This forecast was compared to its five layer counterpart on the 187 x 187 grid and to its 63 x 63 coarse mesh counterpart having the same number of layers. Increases in horizontal resolution lead to significant differences in a one day forecast. Many of these differences represent improvements. Increases in vertical resolution tend to produce smaller impacts on the forecast, except in the region near and above the tropopause. The effect on forecast precipitation is in the 10-20% range, as opposed to the 100% for increases in the horizontal resolution. With respect to model energetics (kinetic energy; square vorticity; square divergence), the model tend to group according to horizontal resolution. The time variations of these parameters show that dynamic initialization is needed to: (1) minimize initialization shock; and (2) stabilize the model context to prevent wash-out of small scale information during the adjustment period (first 6-12 forecast hours).

Kesel, P. G.

Studies on image compression and image reconstruction

During this six month period our works concentrated on three, somewhat different areas. We looked at and developed a number of error concealment schemes for use in a variety of video coding environments. This work is described in an accompanying (draft) Masters thesis. In the thesis we describe application of this techniques to the MPEG video coding scheme. We felt that the unique frame ordering approach used in the MPEG scheme would be a challenge to any error concealment/error recovery technique. We continued with our work in the vector quantization area. We have also developed a new type of vector quantizer, which we call a scan predictive vector quantization. The scan predictive VQ was tested on data processed at Goddard to approximate Landsat 7 HRMSI resolution and compared favorably with existing VQ techniques. A paper describing this work is included. The third area is concerned more with reconstruction than compression. While there is a variety of efficient lossless image compression schemes, they all have a common property that they use past data to encode future data. This is done either via taking differences, context modeling, or by building dictionaries. When encoding large images, this common property becomes a common flaw. When the user wishes to decode just a portion of the image, the requirement that the past history be available forces the decoding of a significantly larger portion of the image than desired by the user. Even with intelligent partitioning of the image dataset, the number of pixels decoded may be four times the number of pixels requested. We have developed an adaptive scanning strategy which can be used with any lossless compression scheme and which lowers the additional number of pixels to be decoded to about 7 percent of the number of pixels requested! A paper describing these results is included.

Sayood, Khalid

ICER-3D: A Progressive Wavelet-Based Compressor for Hyperspectral Images

ICER-3D is a progressive, wavelet-based compressor for hyperspectral images. ICER-3D is derived from the ICER image compressor. ICER-3D can provide lossless and lossy compression, and incorporates an error-containment scheme to limit the effects of data loss during transmission. The three-dimensional wavelet decomposition structure used by ICER-3D exploits correlations in all three dimensions of hyperspectral data sets, while facilitating elimination of spectral ringing artifacts. Correlation is further exploited by a context modeler that effectively exploits spectral dependencies in the wavelet-transformed hyperspectral data. Performance results illustrating the benefits of these features are presented.

Kiely, A.

Lossless Compression of Classification-Map Data

A lossless image-data-compression algorithm intended specifically for application to classification-map data is based on prediction, context modeling, and entropy coding. The algorithm was formulated, in consideration of the differences between classification maps and ordinary images of natural scenes, so as to be capable of compressing classification- map data more effectively than do general-purpose image-data-compression algorithms. Classification maps are typically generated from remote-sensing images acquired by instruments aboard aircraft (see figure) and spacecraft. A classification map is a synthetic image that summarizes information derived from one or more original remote-sensing image(s) of a scene. The value assigned to each pixel in such a map is the index of a class that represents some type of content deduced from the original image data for example, a type of vegetation, a mineral, or a body of water at the corresponding location in the scene. When classification maps are generated onboard the aircraft or spacecraft, it is desirable to compress the classification-map data in order to reduce the volume of data that must be transmitted to a ground station.

Hua, Xie

NASA Tech Briefs, February 2010

Topics covered include: Insulation-Testing Cryostat With Lifting Mechanism; Optical Testing of Retroreflectors for Cryogenic Applications; Measuring Cyclic Error in Laser Heterodyne Interferometers; Self-Referencing Hartmann Test for Large-Aperture Telescopes; Measuring a Fiber-Optic Delay Line Using a Mode-Locked Laser; Reconfigurable Hardware for Compressing Hyperspectral Image Data; Spatio-Temporal Equalizer for a Receiving-Antenna Feed Array; High-Speed Ring Bus; Nanoionics-Based Switches for Radio-Frequency Applications; Lunar Dust-Tolerant Electrical Connector; Compact, Reliable EEPROM Controller; Quad-Chip Double-Balanced Frequency Tripler; Ka-Band Waveguide Two-Way Hybrid Combiner for MMIC Amplifiers; Radiation-Hardened Solid-State Drive; Use of Nanofibers to Strengthen Hydrogels of Silica, Other Oxides, and Aerogels; Two Concepts for Deployable Trusses; Concentric Nested Toroidal Inflatable Structures; Investigating Dynamics of Eccentricity in Turbomachines; Improved Low-Temperature Performance of Li-Ion Cells Using New Electrolytes; Integrity Monitoring of Mercury Discharge Lamps; White-Light Phase-Conjugate Mirrors as Distortion Correctors; Biasable, Balanced, Fundamental Submillimeter Monolithic Membrane Mixer; ICER-3D Hyperspectral Image Compression Software; and Context Modeler for Wavelet Compression of Spectral Hyperspectral Images.

Source record

Climatic History of the Northeastern United States During the Past 3000 Years

Many ecosystem processes that influence Earth system feedbacks - vegetation growth, water and nutrient cycling, disturbance regimes - are strongly influenced by multidecadal- to millennial-scale climate variations that cannot be directly observed. Paleoclimate records provide information about these variations, forming the basis of our understanding and modeling of them. Fossil pollen records are abundant in the NE US, but cannot simultaneously provide information about paleoclimate and past vegetation in a modeling context because this leads to circular logic. If pollen data are used to constrain past vegetation changes, then the remaining paleoclimate archives in the northeastern US (NE US) are quite limited. Nonetheless, a growing number of diverse reconstructions have been developed but have not yet been examined together. Here we conduct a systematic review, assessment, and comparison of paleotemperature and paleohydrological proxies from the NE US for the last 3000 years. Regional temperature reconstructions (primarily summer) show a long-term cooling trend (1000BCE - 1700CE) consistent with hemispheric-scale reconstructions, while hydroclimate data show gradually wetter conditions through the present day. Multiple proxies suggest that a prolonged, widespread drought occurred between 550 and 750CE. Dry conditions are also evident during the Medieval Climate Anomaly, which was warmer and drier than the Little Ice Age and drier than today. There is some evidence for an acceleration of the longer-term wetting trend in the NE US during the past century; coupled with an abrupt shift from decreasing to increasing temperatures in the past century, these changes could have wide-ranging implications for species distributions, ecosystem dynamics, and extreme weather events. More work is needed to gather paleoclimate data in the NE US to make inter-proxy comparisons and to improve estimates of uncertainty in reconstructions.

Marlon, Jennifer R.

Assessing the reliability of medical resource demand models in the context of COVID-19

Abstract Background Numerous medical resource demand models have been created as tools for governments or hospitals, aiming to predict the need for crucial resources like ventilators, hospital beds, personal protective equipment (PPE), and diagnostic kits during crises such as the COVID-19 pandemic. However, the reliability of these demand models remains uncertain. Methods Demand models typically consist of two main components: hospital use epidemiological models that predict hospitalizations or daily admissions, and a demand calculator that translates the outputs of the epidemiological model into predictions for resource usage. We conducted separate analyses to evaluate each of these components. In the first analysis, we validated various hospital use epidemiological models using a recent validation framework designed for epidemiological models. This allowed us to quantify the accuracy of the models in predicting critical aspects such as the date and magnitude of local COVID-19 peaks, among other factors. In the second analysis, we evaluated a range of demand calculators for ventilators, medical gowns, and COVID-19 test kits. To achieve this, we decoupled these demand calculators from the underlying epidemiological models and provided ground truth data for their inputs. This approach enabled a direct comparison of the demand calculators, comparing them against each other and actual usage data when available. The code is available athttps://doi.org/10.5281/zenodo.13712387. Results Performance varied greatly across the epidemiological models, with greater variability in COVID-19 hospital use predictions than for COVID-19 deaths as analyzed previously. Some models did not have any peaks. Among those that did, the models under-estimated date of peak approximately as often as they over-estimated, but were more likely to under-estimate magnitude of peak, with typical relative errors around 50%. Regarding demand calculator predictions, there was significant variability, including five-fold differences in predictions for gown models. Validation against actual or surrogate usage data illustrated the potential value of demand models while demonstrating their limitations. Conclusions The emerging field of demand modeling holds promise in averting medical resource shortages during future public health emergencies. However, achieving this potential necessitates focused efforts on standardization, transparency, and rigorous model validation before placing reliance on demand models in critical public health decision-making.

Medical Informatics

A comparative study of atmospheric density models in the context of definitive and predictive earth satellite orbit determination

The results of a comparative orbit determination study of four global atmospheric density models (modified Harris-Priester, Jacchia-Roberts, Mass Spectrometer/Incoherent Scatter (MSIS), and Simple Exponential Model (SEM)) are presented. Utilizing these models, definitive orbit determination consistency and accuracy are evaluated using the maximum position differences that occur during 6-hour overlap periods between ephemerides generated from 30-hour data arcs. Propagated ephemerides are compared with definitive orbit solutions to evaluate predictive accuracy. The results indicate that, for satellites above 300 kilometers, all four atmospheric density models produce comparable orbit determination accuracies when an atmospheric drag scaling factor and the satellite state vector are estimated in the orbit determination process.

Shanklin, R. E., Jr.

The effects of context on multidimensional spatial cognitive models

Spatial cognitive models obtained by multidimensional scaling represent cognitive structure by defining alternatives as points in a coordinate space based on relevant dimensions such that interstimulus dissimilarities perceived by the individual correspond to distances between the respective alternatives. The dependence of spatial models on the context of the judgments required of the individual was investigated. Context, which is defined as a perceptual interpretation and cognitive understanding of a judgment situation, was analyzed and classified with respect to five characteristics: physical environment, social environment, task definition, individual perspective, and temporal setting. Four experiments designed to produce changes in the characteristics of context and to test the effects of these changes upon individual cognitive spaces are described with focus on experiment design, objectives, statistical analysis, results, and conclusions. The hypothesis is advanced that an individual can be characterized as having a master cognitive space for a set of alternatives. When the context changes, the individual appears to change the dimension weights to give a new spatial configuration. Factor analysis was used in the interpretation and labeling of cognitive space dimensions.

Dupnick, E. G.

Information access in a dual-task context: testing a model of optimal strategy selection

Pilots were required to access information from a hierarchical aviation database by navigating under single-task conditions (Experiment 1) and when this task was time-shared with an altitude-monitoring task of varying bandwidth and priority (Experiment 2). In dual-task conditions, pilots had 2 viewports available, 1 always used for the information task and the other to be allocated to either task. Dual-task strategy, inferred from the decision of which task to allocate to the 2nd viewport, revealed that allocation was generally biased in favor of the monitoring task and was only partly sensitive to the difficulty of the 2 tasks and their relative priorities. Some dominant sources of navigational difficulties failed to adaptively influence selection strategy. The implications of the results are to provide tools for jumping to the top of the database, to provide 2 viewports into the common database, and to provide training as to the optimum viewport management strategy in a multitask environment.

User-Computer Interface

Trusted Simulation: Considering Model Quality in the Context of User Trust

A high‐quality simulation model should help its users to easily and appropriately calibrate their trust in the model. Traditional evaluation metrics such as validation and robustness are necessary but insufficient for this task. Trust calibration depends on factors like the model's transparency, applicability to intended use, usability, reputation, and consideration of potential bias. This article proposes a framework for designing and evaluating system dynamics models by considering factors that contribute to the proper calibration of user trust. This framework takes inspiration from trusted artificial intelligence, broadening our traditional concept of model quality and explicitly focusing on what users need to consider a model trustworthy and to understand the model's relevance to its intended purpose. The trusted simulation framework can improve our integration of model quality activities throughout the modeling process, leading to more impactful and better‐targeted model design, development, and evaluation.

Naugle, Asmeret Bier [Sandia National Laboratories

Integration of Condition-Based, Diagnostic, Prognostic, And Anomaly Detection Data into Reliability Models to Support a Predictive Maintenance Context

Reliability data employed in plant reliability models are an approximated integral representation of the past industrywide operational experience, and they neglect the present asset health status (available, for example, from online monitoring data and diagnostic assessments) and forecasted health projection (when available from prognostic models). Ideally, in a predictive maintenance context, system reliability models should support decision making by propagating actual health information from the asset to the system level in order to provide a quantitative snapshot of system health and identify the most critical assets. Asset health should be informed solely by that specific asset’s current and historical performance data and should not be an approximated integral representation of the past industrywide operational experience (as currently performed by system reliability models through Bayesian updating processes). This paper proposes a reliability modeling approach that relies on asset diagnostic and prognostic assessments, along with monitoring data to measure asset health. We show how state-of-the art condition-based, diagnostic, prognostic, and anomaly detection models can be linked to system reliability models not in probability terms, but in terms of margin where margin is defined as the “distance” between the present status and an undesired event (e.g., failure or unacceptable performance). Then, we show how the propagation of margin data from the asset to the system level is performed through classical reliability models such as fault trees or reliability block diagrams. The described method is in fact able to propagate heterogenous health data from the asset to the system level in order to analytically assess system health.

97 MATHEMATICS AND COMPUTING