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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

Surrogate Modeling of Subgrid Turbulent Transport Based on 3D Radiative Hydrodynamic Simulations of the Quiet Sun

Turbulent Transport: Plays a critical role in astrophysical plasmas, such as the solar interior, spanning multiple scales and challenging traditional modeling approaches. Objective: Develop machine learning (ML) models—MLP and CNN—to predict subgrid Reynolds stress tensors from StellarBox 3D simulations of the solar atmosphere. Benchmarking: Compare ML-driven models against physics-based Gradient and Smagorinsky approaches.

SMD↗

Comparison of Entry Descent and Landing Aerodynamic Databases with Uncertainty Quantification Developed Using Machine Learning Techniques

When developing the aerodynamic databases for use in trajectory simulations, it is important to develop a system of metrics to qualify which aerodynamic models are best to use. Since aerodynamics are just one input into trajectory simulations, the results of these simulations do not reflect on the quality of the aerodynamic database used. This means that aerodynamic database comparisons must be done offline. While traditional metrics that focus on mean/nominal predictions are a good first step, more robust estimates of the prediction interval become important as more focused uncertainty models are developed. We explore the limitations of evaluating aerodynamic models based purely on nominal-centered response surfaces. Before elaborating and evaluating metrics based on distributed models, the value of evaluating prediction interval and confidence interval are discussed to conclude that prediction intervals are more relevant to the use of trajectory analysis. Several metrics to evaluate the prediction interval are introduced with a focus on the standard calibration metric. Finally, we compare candidate models using both mean and distributed metrics. A finalized candidate model developed using state of the art machine learning methods is compared to a baseline model developed using traditional aerodynamic database modeling techniques.

Aerodynamic Database↗

Enabling Interoperability in Earth System Digital Twins (ESDT): Integrating Observations, Models, and AI for Actionable Insights Through NASA'S Intelligent Systems Technology Program

NASA’s Intelligent Systems Technology Program (IST) is driving a paradigm shift in Earth science through the development of Earth System Digital Twins (ESDT). These integrated information systems create a dynamic "digital replica" of the Earth by harmonizing continuous, multi-source observations with high-fidelity models and state-of-the-art artificial intelligence (AI) that enable “What now?”, “What next?”, and “What if?” scenario building. These scenarios are reflected in NASA IST’s series of ESDTs, from the Coastal Zone Digital Twin that integrates complex data on the current state of the Chesapeake Bay to the Terrestrial Environmental Rapid-Replication and Assimilation Hydrometeorological (TerraHydro) AI-based ESDT that forecasts water movement across Earth’s surface, to the Agriculture Land Information System (AgLIS) which can be used to assess optimal planting dates and crop yield estimates. By bridging the gap between vast data archives and actionable insights, these projects enable a system-of-systems approach to understanding complex, interacting Earth processes. This poster will highlight recent innovations and future directions from NASA’s ESDT initiatives: Continuous Data Assimilation & Multi-Source Fusion. A core requirement of the ESDT work is the transition from static models to dynamic "living" replicas. This involves creating frameworks for the continual assimilation of near-real-time data from uncoordinated, heterogeneous sources, including satellite observations and airborne assets, and ground-based Internet of Things (IoT) sensors. These systems link design, operational status, and environmental data, ensuring the digital twin accurately reflects the current state of the physical Earth system. High-Fidelity Hybrid Modeling & Computational Acceleration to enable interactive "what-if" explorations, programs are moving beyond traditional, slow physical solvers by developing fast surrogate machine learning models and Deep Generative Models (DGMs). These hybrid approaches use neural networks to emulate complex physics, such as cloud feedback or ocean dynamics, at a fraction of the original computing cost, often leveraging advanced hardware like Graphics Processing Units (GPUs) to achieve the necessary scale. Federated Ecosystems & Interoperable Frameworks rather than building isolated tools, NASA IST is moving toward federated ESDTs and reusable analytic collaborative frameworks. This theme focuses on interoperability standards and common ontologies that allow specialized digital twins to interact and share data. This system-of-systems architecture supports multi-discipline investigations, such as analyzing how upstream watershed changes impact downstream urban flooding or how wildfire emissions affect regional air quality. By leveraging these advancements, ESDTs empower researchers and decision-makers to conduct real-time analysis and run complex hypothetical scenarios, ultimately improving our understanding of Earth’s evolving systems and informing critical real-world applications.

Earth System↗

The Added Value of SMAP Soil Moisture in Crop Yield Forecasting Over Argentina

Argentina is one of the major producers and exporter of soybeans, corn, and wheat to the world market; therefore, the accurate and timely forecasting of those crops yield is crucial to national crop management and global food security. Previous studies have mainly focused on developing forecasting models for a specific crop type and location using a single source of data (e.g., vegetation indices), thus providing little insight into the forecasting models' performance on different crop types and regions. Besides, these models are based on traditional statistical regression algorithms, while more advanced machine learning approaches have not been explored. This study investigated the estimation of crop yields of three major crops (corn, soybean, and winter wheat) using Multiple Linear Regression (MLR) and Support Vector Machine (SVM), over major growing provinces in Argentina. Our models were trained and evaluated on data from 2015 to 2020, where three remote sensing products (Normalized difference vegetation index (NDVI), SMAP soil moisture, and MODIS evapotranspiration) were used as predictors. Our results indicated that accurate crop yield forecasts using the developed regression models could be made one to two months before harvest. The MLR and SVM model performance varied among different crop types, where soybean and corn exhibited better predictability compare to the wheat. In most cases, the SVM outperformed the multiple linear regression model due to its ability to capture the nonlinear and complex features of the crop-production process. The forecasted model that combines data from multiple sources outperformed single-source satellite data. The highest accuracy was obtained when the three data sources were all considered in the model development. Results also indicated that the inclusion of SMAP soil moisture improved crop yield forecasting in most provinces, and the most significant improvements occurred in the drier region.

Nazmus Shams Sazib↗

Natural Language Understanding and Extraction of Flight Constraints Recorded in Letters of Agreement

This paper presents an automated information extraction and inference technique using natural language processing for extracting flight operational procedures and constraints embedded in heritage air traffic management documents. The extracted flight constraints can be digitized and fit into existing airspace information exchange models such as the Aeronautical Information Exchange Model (AIXM). This approach offers a digitized solution to disseminate airspace operating conditions to diverse air users and stakeholders in the National Airspace System (NAS). Furthermore, the digitized flight procedures can provide operational flexibility for emerging advanced air mobility providers and reduce traffic controller workload while maintaining current safety standards. To demonstrate this process, 1,972 Letters of Agreement (LOAs) have been selected for processing, named entity extraction, constraint identification and extraction. This dataset is derived from a subset of documents related to Air Route Traffic Control Centers (ARTCC) operations. We experimented with various traditional information extraction techniques, state-of-the-art machine learning and deep learning models to perform named entity recognition and pattern recognition on our dataset. We present the results from our experiments and demonstrate 99.0% F-1 score for named entity recognition, and a 96.6% accuracy for our entire workflow up to named entity recognition. We also discuss constraint definitions using generic patterned templates and extensions to this work in applying entity linking to digitally extracting relevant constraints.

Natural Language Processing↗

Natural Language Understanding and Extraction of Flight Constraints Recorded in Letters of Agreement

This paper presents an automated information extraction and inference technique using natural language processing for extracting flight operational procedures and constraints embedded in heritage air traffic management documents. The extracted flight constraints can be digitized and fit into existing airspace information exchange models such as the Aeronautical Information Exchange Model (AIXM). This approach offers a digitized solution to disseminate airspace operating conditions to diverse air users and stakeholders in the National Airspace System (NAS). Furthermore, the digitized flight procedures can provide operational flexibility for emerging advanced air mobility providers and reduce traffic controller workload while maintaining current safety standards. To demonstrate this process, 1,972 Letters of Agreement (LOAs) have been selected for processing, named entity extraction, constraint identification and extraction. This dataset is derived from a subset of documents related to Air Route Traffic Control Centers (ARTCC) operations. We experimented with various traditional information extraction techniques, state-of-the-art machine learning and deep learning models to perform named entity recognition and pattern recognition on our dataset. We present the results from our experiments and demonstrate 99.0% F-1 score for named entity recognition, and a 96.6% accuracy for our entire workflow up to named entity recognition. We also discuss constraint definitions using generic patterned templates and extensions to this work in applying entity linking to digitally extracting relevant constraints.

Natural Language Processing↗

Machine Learning for the Prediction of Local Asteroid Damages

Risk assessment studies of local asteroid hazards traditionally simulate the physics of meteors with engineering models tailored to analyze tens-of-millions of scenarios. However, these simplified approaches still need to solve time-dependent ODEs to model the entry process and the resulting ground damage. With a computational cost of O(0.01 CPU.s) per scenario, simulating these large numbers of potential entry conditions in risk assessment studies can take several days on local computers. To improve computational efficiency, we propose in this paper an orthogonal approach based on machine learning models to predict the size of damaged areas given a list of entry parameters. We train 5 machine learning methods and compare the predictions to the outputs of the PAIR model, first only with primitive entry condition variables, and then with more advanced features. We find that complex models like neural networks are well-suited to estimate blast hazards, while simpler linear models can accurately assess thermal damage. For both types of hazards, the radii of damaged areas can be predicted with around 10% average errors and a coefficient of determination (R2) of 0.99. The CPU time is decreased by a factor O(10 3 ) compared to the PAIR model, which enables the simulation of millions of scenarios in minutes, on a local computer. We then use the same machine learning approaches for a classification task where the models are trained to predict if an asteroid will produce a given level of damage. Results show that complex models like the gradient boosting classifier and the neural network can perform this task with 98% accuracy. Beyond surrogate models, we finally incorporate the machine learning algorithms to the state-of-the-art Shapley sensitivity analysis and present a ranking of the entry parameters based on their contributions to ground damages.

SMD↗

Designing Molten Salt Eutectics: A Combined Thermodynamic Modeling and Machine Learning Approach

Designing stable electrolytes with target properties is an important challenge in realizing next generation energy storage devices. Molten salt eutectics-based electrolytes are known for their stability with minimal parasitic reactions when compared to traditional organic electrolytes and are an attractive option for different battery chemistries. The operating temperature of the molten salt batteries depends on the melting temperature of the eutectic and hence there is a necessity to discover novel low melting temperature molten salt eutectic mixtures for energy storage applications. In this work we develop a high throughput computational screening approach for molten salt mixtures using thermodynamic modeling and machine learning (ML). COSMO-SAC model and ML approaches were independently developed based on the existing experimental data and these models were further used to predict the eutectic melting temperature and composition of several new binary, ternary, and quaternary mixtures. We show that combining ML and thermodynamic modeling strategies is effective in exploring the vast design space of molten salt mixtures.

Thermodynamics↗

Open Science for Life in Space: Data Sharing and Tools for Knowledge Discovery

The fast-growing array of space biological data, which in the past was simply archived after minimal analysis, holds great potential if it can be reorganized and formatted for Open Science. Organizing the data for such analysis is a challenge because of its diverse nature (molecular, cellular, tissue, whole organism, behavior; tabular, imagery). Open Science is the concept that the more people have access to scientifically curated data, the more knowledge will be gained. This led NASA to start the development of GeneLab in 2015. GeneLab houses spaceflight and space-analog multi-omics datasets from plant, rodent, small animal, and microbial experiments. The success and knowledge gained from GeneLab led to a new alliance of NASA “Open Science Data Repositories” (OSDR), which include the Ames Life Sciences Data Archive (ALSDA) and the NASA Biological Institutional Scientific Collection (NBISC). Both are adopting the GeneLab data system, so data are more findable, accessible, interoperable, and reusable (FAIR). OSDR systems provide users the ability to upload, download, search, share, analyze, and visualize. Open Science also needs strong confidence in the data, which is gained through building science communities. With ~400 current members, GeneLab and ALSDA formed Analysis Working Groups (AWGs) to provide feedback on processing pipelines, metadata curation standards (for ‘omics and phenotypic-physiological-behavioral assays), and to collaborate in effectively reusing data. The AWG also led to the development of the Radiation Biology Ontology (RBO), ensuring radiation metadata are efficiently captured, connected, and interoperable. Feedback from the AWG provided design input toward the new single point-of-entry data submission portal for all investigators to submit, curate, and share their research data. Space biological data is now maximally open access, collected-curated with rich metadata, and formatted for interoperability to enable systems biology, meta-analysis, knowledge graphs, machine learning, modeling, and other reuse approaches. With potential for further federation of OSDR for data mining with traditional biological and medical databases (NIH, NCI, EBI, etc.), a new era for space biology has begun to support the knowledge discovery necessary for Lunar and Martian missions.

Ryan T Scott↗

Probabilistic Machine Learning Estimation of Ocean Mixed Layer Depth from Dense Satellite and Sparse In-Situ Observations

The ocean mixed layer plays an important role in the coupling between the upper ocean and atmosphere across a wide range of time scales. Estimation of the variability of the ocean mixed layer is therefore important for atmosphere-ocean prediction and analysis. The increasing coverage of in situ Argo profile data allows for an increasingly accurate analysis of the mixed layer depth (MLD) variability associated with deviations from the seasonal climatology. However, sampling rates are not sufficient to fully resolve subseasonal (<90 day) MLD variability. Yet, many multivariate observations-based analyses include implicit modeled subseasonal MLD variability. One analysis method is optimal interpolation of in situ data, but the interior analysis can be improved by leveraging surface data with regression or variational approaches. Here, we demonstrate how machine learning methods and satellite sea surface temperature, salinity, and height facilitate MLD estimation in a pilot study of two regions: the mid-latitude southern Indian and the eastern equatorial Pacific Oceans. We construct multiple machine learning architectures to produce weekly 1/2° gridded MLD anomaly fields (relative to a monthly climatology) with uncertainty estimates. We test multiple traditional and probabilistic machine learning techniques to compare both accuracy and probabilistic calibration. We validate our methodology by applying it to ocean model simulations. We find that incorporating sea surface data through a machine learning model improves the performance of spatiotemporal MLD variability estimation compared to optimal interpolation of Argo observations alone. These preliminary results are a promising first step for the application of machine learning to MLD prediction.

Machine Learning↗

Graph Convolutional Network-Strengthened Topic Modeling for Scientific Papers

Machine learning has been woven into statistics to modernize topic modeling over textual documents written in natural language, and scientific paper search and recommendation can consequently offer higher accuracy instead of counting on traditional keyword-based search. However, topic distribution of a paper resulted from existing topic modeling techniques only relies on the statistics of words contained in the paper itself. We argue that community users’ views of a paper may also provide insights at the time of recommendation. For example, if a paper on fake image detection has been cited heavily by machine learning papers, such a feature should be absorbed in the embedding of this paper, so that it can be recommended for future query on machine learning. In this paper, we present a Graph Convolutional Network-strengthened Topic Modeling (GCN-TM) method, which employs GCN technique to refine topic modeling of scientific papers. A citation-oriented knowledge graph is constructed, and topic modeling is mapped to feature embedding of the comprising papers. On top of its own topics carried in its content, each paper learns topics from its neighbors and revise its embedding accordingly. Our empirical studies over real-life scientific literature has proved the necessity and effectiveness of our proposed approach.

Jia Zhang↗

Machine Learning Global Simulation of Nonlocal Gravity Wave Propagation

Global climate models typically operate at a grid resolution of hundreds of kilometers and fail to resolve atmospheric mesoscale processes, e.g., clouds, precipitation, and gravity waves (GWs).Model representation of these processes and their sources is essential to the global circulation and planetary energy budget, but subgrid scale contributions from these processes are often only approximately represented in models using parameterizations. These parameterizations are subject to approximations and idealizations, which limit their capability and accuracy. The most drastic of these approximations is the “single-column approximation” which completely neglects the horizontal evolution of these processes, resulting in key biases in current climate models. With a focus on atmospheric GWs, we present the first-ever global simulation of atmospheric GW fluxes using machine learning (ML) models trained on the WINDSET dataset to emulate global GW emulation in the atmosphere, as an alternative to traditional single-column parameterizations. Using an Attention U-Net-based architecture trained on globally resolved GW momentum fluxes, we illustrate the importance and effectiveness of global nonlocality, when simulating GWs using data-driven schemes.

Aman Gupta↗

Assessment of Quantum ML Applicability for Climate Actions: Comparison of the Variational Quantum Classifier and the Quantum Support Vector Classifier with Classical ML Models

Climate change refers to significant and long-term alterations in the Earth’s climate patterns, typically resulting from human activities that increase greenhouse gas emissions. Addressing climate change is not merely an option but a necessity, demanding creative solutions and efforts from individuals, researchers, communities, and governments. Despite the capabilities of machine learning (ML) with data-driven solutions promising to combat climate change-related problems, they face challenges stemming from traditional computational methods and prolonged training times, impeding their practical utility. Recent strides in quantum computing have permeated diverse domains, spanning from manufacturing engineering and pharmaceutical discovery to the latest frontier of detecting climate anomalies. With the potential to substantially reduce time and computational complexity, quantum computing shows promise in addressing climate change impacts. Its distinctive features will enable the concurrent exploration of expansive solution spaces, making it well-suited for analyzing extensive climate datasets, simulating intricate climate models, optimizing resource allocation, and discerning patterns in climate data for mitigation and adaptation endeavors. This study explores the potential of using Quantum machine learning (QML) techniques on climate and weather data obtained from NASA Giovannis. We used two QML algorithms, the Quantum Support Vector Classifier (QSVC) and the Variational Quantum Classifier (VQC) models, using the IBM Qiskit ML 0.7.2 ecosystem. We used an actual 127-Qubit IBM Quantum Computer (IBM 127-qubit Eagle) in this study. The methodology and results sections describe the experiences gained from applying and evaluating quantum ML results on climate and weather data obtained from NASA satellites as a novel practical application of quantum computing.

Earth Observational Data↗

A Comprehensive Machine Learning Study to Classify Precipitation Type over Land from Global Precipitation Measurement Microwave Imager (GPM-GMI) Measurements

Precipitation type is a key parameter used for better retrieval of precipitation characteristics as well as to understand the cloud–convection–precipitation coupling processes. Ice crystals and water droplets inherently exhibit different characteristics in different precipitation regimes (e.g., convection, stratiform), which reflect on satellite remote sensing measurements that help us distinguish them. The Global Precipitation Measurement (GPM) Core Observatory’s microwave imager (GMI) and dual-frequency precipitation radar (DPR) together provide ample information on global precipitation characteristics. As an active sensor, the DPR provides an accurate precipitation type assignment, while passive sensors such as the GMI are traditionally only used for empirical understanding of precipitation regimes. Using collocated precipitation type flags from the DPR as the “truth”, this paper employs machine learning (ML) models to train and test the predictability and accuracy of using passive GMI-only observations together with ancillary information from a reanalysis and GMI surface emissivity retrieval products. Out of six ML models, four simple ones (support vector machine, neural network, random forest, and gradient boosting) and the 1-D convolutional neural network (CNN) model are identified to produce 90–94% prediction accuracy globally for five types of precipitation (convective, stratiform, mixture, no precipitation, and other precipitation), which is much more robust than previous similar effort. One novelty of this work is to introduce data augmentation (subsampling and bootstrapping) to handle extremely unbalanced samples in each category. A careful evaluation of the impact matrices demonstrates that the polarization difference (PD), brightness temperature (Tc) and surface emissivity at high-frequency channels dominate the decision process, which is consistent with the physical understanding of polarized microwave radiative transfer over different surface types, as well as in snow and liquid clouds with different microphysical properties. Furthermore, the view-angle dependency artifact that the DPR’s precipitation flag bears with does not propagate into the conical-viewing GMI retrievals. This work provides a new and promising way for future physics-based ML retrieval algorithm development.

machine learning/artificial intelligence↗

Machine Learning based Aircraft Performance Model Estimation for Trajectory Prediction

The accurate prediction of aircraft trajectory by ground-based decision support tools is a critical component of air traffic management in the US National Airspace System (NAS). Accurate predictions of where the aircraft will be in the future or when they will arrive at specific locations (e.g., fixes) is a key enabler for sequencing and efficient arrival management of flights. Traditional physics based aircraft trajectory prediction relies on a simplified point-mass total energy model whose parameters are referred to as Aircraft Performance Model (APM) parameters. Even though the performance coefficients and weight of an aircraft are a vital part of the aircraft performance model’s predictions and accuracy, these coefficients are proprietary in nature and therefore, unavailable to decision-support tools. Current approaches freeze some coefficients to default base of aircraft data (BADA) values and optimize others. However, the APM parameters are highly coupled by the flight dynamics and prioritizing one parameter over others leads to bias and skewed predictions. To alleviate this problem, we provide a combined optimization framework to predict all the critical (thrust, drag and weight) APM parameters. This paper is focused on training Machine Learning (ML) models that map historical flights to optimized APM parameters that provide the best fit (in terms of prediction error). Our dataset obtained from NASA’s Sherlock data warehouse is comprised of thousands of historical flights and includes weather and track data collected from 2019. Using different subsets of relevant features (e.g., aircraft type), we trained several ML models to estimate the aircraft’s take off weight, drag polar coefficients (both parasitic and lift induced), and thrust settings (multiplier applied to the maximum engine thrust). The chosen flights are from three of the most common aircraft types (B738, B737, and A320) arriving at four airports (LAX, DEN, MSP, and DFW). Our ML approach is comprised of two different solutions: 1- using a subset of features that are known prior to the flight departure and do not change during flight (such as engine type, current temperature at departure & destination airports, aircraft type) and 2 - using a subset of temporal features of the flight trajectory (such as cruise altitude, Mach, airspeed, and rate of climb) in addition to the pre-departure features from the first solution. The labels or target variables are the APM parameters that were obtained by an optimized ordinary differential equations (ODE) fitting process (applied to individual flights). The ODE-fitting is very time intensive and is therefore performed offline. Thus, training an ML model to learn the relationship between the flight features and ODE-generated labels enables faster estimation of the APM parameters and is therefore amenable to real-time prediction. Various ML models including linear regression, random forest, XGBoost, and neural network were trained, and the results are compared. After model validation and hyperparameter-tuning, we observed that the Random Forest model outperformed the other three models by the overall mean square error (MSE) of 2% for the first solution and 1.5% for the second solution. Finally, the ML-derived parameters are compared against default BADA APM parameters using NASA’s Autonomy Development toolkit (ADK) simulation software. The simulation results for one of each aircraft type is shown and discussed.

Aida Sharif Rohani↗

NASA Earth Systems Digital Twins (ESDT)

"Similarly to artificial intelligence, which is now revolutionizing many aspects of our daily lives, Earth system digital twin technologies have the potential to revolutionize the way Earth Science research will be conducted in the future, and how results and knowledge from this research will provide information to support decision making and yield impactful societal benefits. An Earth System Digital Twin or ESDT is a dynamic and interactive information system that first provides a digital replica of the past and current states of the Earth or Earth system as accurately and timely as possible; second, allows for computing forecasts of future states under nominal assumptions and based on the current replica; and third, offers the capability to investigate many hypothetical scenarios under varying impact assumptions. In other words, an ESDT provides the integrated What-Now, What-Next, and What-If pictures of the Earth or Earth system, by continuously ingesting newly observed data and by leveraging multiple interconnected models, machine learning as well advanced computing and visualization capabilities. Digital twins have been developed in engineering since 2002, but the interest in digital twins for the Earth domain is more recent and stems from the convergence of several developments: - The huge amount of diverse data that has now been collected continuously for more than 50 years, and that is becoming more and more difficult to access, understand, and utilize. - At the same time, because of climate change and its impacts the information produced by all of this data is becoming of interest to many new non-traditional users for analyzing and predicting various phenomena. - Because of advances in computational and visualization capabilities and the parallel unprecedented development of machine learning (ML), extracting relevant information from these large amounts of data and running complex models faster has become possible. As a result, it is becoming necessary and possible to build intuitive and interactive frameworks that will enable users with various skill levels and/or organizational hierarchy levels to easily access large amounts of targeted information along with the relevant tools and models (Earth system and human activity models), to support them in analyzing and visualizing this information, to help them understand interactions among models, to visualize the potential outcomes of various impacts, and to support decision or policy making. The full power of digital twins is that, through an integrated representation and standardized tools and software technologies, the same digital replica can address the needs of multiple users at various resolutions (spatial and temporal) and for various applications (science, economic, policy, etc.) – “from farmer to scientist”. With all these interests at stake, the challenges of building optimal digital twins are many and complex. The first challenge is to determine if a Digital Twin should be global or local, and multi-domain or thematic. For example, some domains such as Climate or Weather will require a global Digital Twin or Digital Twin capabilities while science areas such as Biodiversity might be more local. We can also envision that multiple thematic ESDTs, e.g., Air Quality, Wildfires, Hydrology could be federated or provide input to other ESDTs, either on a regional level or to a more global ESDT. Overall, we can imagine a future “web” of Digital Twins co-existing in a hierarchy or in a network, and capable of being connected or federated depending on the needs. This last point brings up the very important challenge of interoperability, including standards and protocols that will need to be built into these systems from the beginning. Each individual digital twin would have full flexibility in internal construction but would need standards-based interfaces (input and output) or hooks to make it compatible with others. Another challenge when building digital twins will be to decide how to organize each digital replica. Based on the applications targeted by the DT under implementation, various amounts and types of raw data, Analysis Ready Data (ARD) and information will need to be incorporated. Depending on the required latencies and needs of the users, various solutions can be considered, including Data Cubes, Data Lakes, pointers, or computing information on demand. We envision that each ESDT will choose a solution adapted to its specific objectives. Another important challenge is the type(s) of visualization that will be used, as well as the level of interactivity and refresh rate that will be required. Again, this will depend on the objectives of the ESDT, but also on the various users’ needs. In most cases, several types of visualizations and human interfaces will need to be offered depending on the projected users of that system. In parallel to the challenges highlighted above, there are also many tools and technologies that will need to be developed or improved for all types of digital twins. Among those are improved machine learning technologies, for example providing explainability, but also ML techniques for causality and providing a better integration of physics models. Additionally, reliable uncertainty quantification methods will be needed for all ESDT components, from validating data fusion and assimilation to assessing the accuracy of ML models and weighing the values of decisions supported by those systems. This presentation introduces the ESDT concept, presents several ESDT use cases, and a proposed ESDT architecture framework, as well as various technologies being developed by the Advanced Information Systems Technology (AIST) Program."

Earth Science Remote Sensing; Information Systems↗

Application of Artificial Intelligence for Surface PM2.5 Estimations from Geostationary Satellite and Atmospheric Numerical Model Data

PM2.5, particulate matter (PM) with a diameter less than or equal to 2.5 μm, is emitted from anthropogenic fuel combustion and forest fires. Due to their small size, PM2.5 can penetrate into respiratory systems and cause or exacerbate serious illness. The US Environmental Protection Agency (EPA) regulates the levels of surface PM2.5 but surface monitoring has spatial and temporal limitations. The Aerosol Optical Depth (AOD) retrievals from the Geostationary Operational Environmental Satellite (GOES) missions and meteorological factors can be utilized as an alternative technique to estimate surface PM2.5 levels at a higher spatial and temporal resolution compared to surface monitors. Traditional estimation approaches rely on linear regression techniques and have limitations modeling the nonlinear relationship between the meteorological factors, AOD retrievals, and surface PM2.5. We compare different machine learning techniques and identify the best-suited model that can represent the nonlinearity between the factors affecting PM2.5 levels

Manisha Khatri↗

Physically-Informed Artificial Neural Networks for Atomistic Modeling of Materials

A new approach is presented for the development of classical interatomic potentials using physically-informed neural networks (PINN) combined with an analytical bond-order atomic interaction model. Due to the strong physical underpinnings, the PINN potentials demonstrate much better transferability than the existing machine-learning potentials while drastically improving the accuracy in comparison with traditional potentials. PINN potentials can be constructed for both metallic and covalent materials in a unified manner. A number of applications of PINN potentials to large-scale molecular dynamics and Monte Carlo simulations and calculation of thermal and mechanical properties of diverse materials are demonstrated. Some of the specific materials systems include silicon and aluminum, as well as alloys and compounds. Computational aspects of PINN potentials are discussed and future developments in this field are outlined.

J Hickman↗