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At least 865 records · Page 48

Derivation and experimental verification of clock synchronization theory

The objective of this work is to validate mathematically derived clock synchronization theories and their associated algorithms through experiment. Two theories are considered, the Interactive Convergence Clock Synchronization Algorithm and the Mid-Point Algorithm. Special clock circuitry was designed and built so that several operating conditions and failure modes (including malicious failures) could be tested. Both theories are shown to predict conservative upper bounds (i.e., measured values of clock skew were always less than the theory prediction). Insight gained during experimentation led to alternative derivations of the theories. These new theories accurately predict the clock system's behavior. It is found that a 100% penalty is paid to tolerate worst case failures. It is also shown that under optimal conditions (with minimum error and no failures) the clock skew can be as much as 3 clock ticks. Clock skew grows to 6 clock ticks when failures are present. Finally, it is concluded that one cannot rely solely on test procedures or theoretical analysis to predict worst case conditions. conditions.

INTERACTIVE CONVERGENCE CLOCK↗

Hybrid Model Based Approaches for Systems Health Management and Prognostics

To facilitate and solve the prediction problem, awareness of the current health state of the system is key, since it is necessary to perform condition-based predictions. To accurately predict the future state of any system, it is required to possess knowledge of its current health state and future operational conditions. Latest achievements of data-driven algorithms in regression of complex nonlinear functions and classification tasks have generated a growing interest in artificial intelligence for industrial applications. Complex multi-physics models as well as digital twins, once purely built on physics and corresponding simplified lumped parameter iterations, can now benefit from machine learning algorithms to mitigate the lack of understanding of some complex behavior. Given models of the current and future system behavior, a general approach of model-based prognostics can solve the prediction problem and further decision making. In principle, data driven approaches can replace expensive experimental test-setups as well as reduce the number of simulations needed to explore, e.g., the parametric space of a multi-parameter model. Nonetheless, the limitations of pure data-driven methods came to light rather quickly, at least for some industries. In many industrial applications, data acquisition is costly, and the volume of data that can be collected does not satisfy the requirements for an effective model training and cross-validation. Therefore, some recent works in the area of machine learning is focusing on blending physics with data-driven algorithms, thus mitigating the drawbacks of the two approaches and emphasizing respective advantages. Partial physical knowledge of the problem can aid the learning process by “guiding” the algorithm towards efficient solutions that satisfy the physics driving the system behavior. The result is a hybrid modeling approach combining physical knowledge as well data driven methods to develop a unified hybrid approach. A hybrid framework for fusing information from physics-based performance models along with deep learning algorithms for prognostics of complex safety critical systems is presented. In this framework, physics-based performance models infer unobservable model parameters related to the system's components health solving a calibration problem in the deep learning approach.

Hybrid Modeling↗

Hybrid Approaches to Systems Health Management and Prognostics

To facilitate and solve the prediction problem, awareness of the current health state of the system is key, since it is necessary to perform condition-based predictions. To accurately predict the future state of any system, it is required to possess knowledge of its current health state and future operational conditions. Latest achievements of data-driven algorithms in regression of complex nonlinear functions and classification tasks have generated a growing interest in artificial intelligence for industrial applications. Complex multi-physics models as well as digital twins, once purely built on physics and corresponding simplified lumped parameter iterations, can now benefit from machine learning algorithms to mitigate the lack of understanding of some complex behavior. Given models of the current and future system behavior, a general approach of model-based prognostics can solve the prediction problem and further decision making. In principle, data driven approaches can replace expensive experimental test-setups as well as reduce the number of simulations needed to explore, e.g., the parametric space of a multi-parameter model. Nonetheless, the limitations of pure data-driven methods came to light rather quickly, at least for some industries. In many industrial applications, data acquisition is costly, and the volume of data that can be collected does not satisfy the requirements for an effective model training and cross-validation. Therefore, some recent works in the area of machine learning is focusing on blending physics with data-driven algorithms, thus mitigating the drawbacks of the two approaches and emphasizing respective advantages. Partial physical knowledge of the problem can aid the learning process by “guiding” the algorithm towards efficient solutions that satisfy the physics driving the system behavior. The result is a hybrid modeling approach combining physical knowledge as well data driven methods to develop a unified hybrid approach. A hybrid framework for fusing information from physics-based performance models along with deep learning algorithms for prognostics of complex safety critical systems is presented. In this framework, physics-based performance models infer unobservable model parameters related to the system's components health solving a calibration problem in the deep learning approach.

Systems Health Management↗

Analysis of simultaneous aerosol and ocean glint retrieval using multi-angle observations

Since early 2000, NASA's Multi-angle Imaging SpectroRadiometer (MISR) instrument has been performing remote sensing retrievals of aerosol optical properties from the polar-orbiting Terra spacecraft. A noteworthy aspect of MISR observations over the ocean is that, for much of the Earth, some of the multi-angle views have contributions from solar reflection by the ocean surface (glint, or glitter), while others do not. Aerosol retrieval algorithms often discard these glint-influenced observations because they can overwhelm the signal and are difficult to predict without knowledge of the (wind-speed-driven) ocean surface roughness. However, theoretical studies have shown that multi-angle observations of a location at geometries with and without reflected sun glint can be a rich source of information, sufficient to support simultaneous retrieval of both the aerosol state and the wind speed at the ocean surface. We are in the early stages of creating such an algorithm. In this paper, we describe our assessment of the appropriate level of parameterization for simultaneous aerosol and ocean surface property retrievals using sun glint. For this purpose, we use generalized nonlinear retrieval analysis (GENRA), an information content assessment (ICA) technique employing Bayesian inference, and simulations from the Ahmad–Fraser iterative radiative transfer code. We find that four parameters are suitable: aerosol optical depth (τ), particle size distribution (expressed as the fine mode fraction f of small particles in a bimodal size distribution), surface wind speed (w), and relative humidity (r, to define the aerosol water content and complex refractive index). None of these parameters define ocean optical properties, as we found that the aerosol state could be retrieved with the nine MISR near-infrared views alone, where the ocean body is strongly absorbing in the open ocean. We also found that retrieval capability varies with observation geometry and that as τ increases so does the ability to determine aerosol intensive optical properties (r and f, while it decreases for w). Increases in w decrease the ability to determine the true value of that parameter but have minimal impact on retrieval of aerosol properties. We explored the benefit of excluding the two most extreme MISR view angles for which radiative transfer with the plane-parallel approximation is less certain, but we found no advantage in doing so. Finally, the impact of treating wind speed as a scalar parameter, rather than as a two-parameter directional wind, was tested. While the simpler scalar model does contribute to overall aerosol uncertainty, it is not sufficiently large to justify the addition of another dimension to parameter space. An algorithm designed upon these principles is in development. It will be used to perform an atmospheric correction with MISR for coincident ocean color (OC) observations by the Moderate Resolution Imaging Spectroradiometer (MODIS) instrument, also on the NASA Terra spacecraft. Unlike MISR, MODIS is a single-view-angle instrument, but it has a more complete set of spectral channels ideal for determination of optical ocean properties. The atmospheric correction of MODIS OC data can therefore benefit from MISR aerosol retrievals. Furthermore, higher-spatial-resolution data from coincident MISR observations may also improve glint screening.

Kirk Knobelspiesse↗

Automated System Checkout to Support Predictive Maintenance for the Reusable Launch Vehicle

The Propulsion Checkout and Control System (PCCS) is a predictive maintenance software system. The real-time checkout procedures and diagnostics are designed to detect components that need maintenance based on their condition, rather than using more conventional approaches such as scheduled or reliability centered maintenance. Predictive maintenance can reduce turn-around time and cost and increase safety as compared to conventional maintenance approaches. Real-time sensor validation, limit checking, statistical anomaly detection, and failure prediction based on simulation models are employed. Multi-signal models, useful for testability analysis during system design, are used during the operational phase to detect and isolate degraded or failed components. The TEAMS-RT real-time diagnostic engine was developed to utilize the multi-signal models by Qualtech Systems, Inc. Capability of predicting the maintenance condition was successfully demonstrated with a variety of data, from simulation to actual operation on the Integrated Propulsion Technology Demonstrator (IPTD) at Marshall Space Flight Center (MSFC). Playback of IPTD valve actuations for feature recognition updates identified an otherwise undetectable Main Propulsion System 12 inch prevalve degradation. The algorithms were loaded into the Propulsion Checkout and Control System for further development and are the first known application of predictive Integrated Vehicle Health Management to an operational cryogenic testbed. The software performed successfully in real-time, meeting the required performance goal of 1 second cycle time.

Patterson-Hine, Ann↗

HEAO attitude reference design

The paper deals with the precision onboard attitude reference implemented as part of the attitude control and determination subsystem for the three High Energy Astronomy Observatories (HEAO-A, HEAO-B, and HEAO-C) in the HEAO scientific spacecraft program. The first observatory (HEAO-A, designated HEAO-1 when in orbit) was launched successfully into near-earth orbit on August 12, 1977. The HEAO attitude reference, analysis techniques for performance prediction, and flight results from the HEAO-1 observatory during its first months of operation. The HEAO-B design is specifically described and analyzed in terms of gyro processing, kinematic integration, ground update algorithm, and star tracker update algorithm. Attitude reference performance estimates are also discussed. It is shown that the orbital performance of the attitude reference correlates very well with the developmental predictions, thereby validating the analytical techniques used during the development. This validation provides a firm basis from which to extrapolate to other applications and related design concepts.

Hoffman, D. P.↗

Space Shuttle Main Engine performance analysis

For a number of years, NASA has relied primarily upon periodically updated versions of Rocketdyne's power balance model (PBM) to provide space shuttle main engine (SSME) steady-state performance prediction. A recent computational study indicated that PBM predictions do not satisfy fundamental energy conservation principles. More recently, SSME test results provided by the Technology Test Bed (TTB) program have indicated significant discrepancies between PBM flow and temperature predictions and TTB observations. Results of these investigations have diminished confidence in the predictions provided by PBM, and motivated the development of new computational tools for supporting SSME performance analysis. A multivariate least squares regression algorithm was developed and implemented during this effort in order to efficiently characterize TTB data. This procedure, called the 'gains model,' was used to approximate the variation of SSME performance parameters such as flow rate, pressure, temperature, speed, and assorted hardware characteristics in terms of six assumed independent influences. These six influences were engine power level, mixture ratio, fuel inlet pressure and temperature, and oxidizer inlet pressure and temperature. A BFGS optimization algorithm provided the base procedure for determining regression coefficients for both linear and full quadratic approximations of parameter variation. Statistical information relative to data deviation from regression derived relations was also computed. A new strategy for integrating test data with theoretical performance prediction was also investigated. The current integration procedure employed by PBM treats test data as pristine and adjusts hardware characteristics in a heuristic manner to achieve engine balance. Within PBM, this integration procedure is called 'data reduction.' By contrast, the new data integration procedure, termed 'reconciliation,' uses mathematical optimization techniques, and requires both measurement and balance uncertainty estimates. The reconciler attempts to select operational parameters that minimize the difference between theoretical prediction and observation. Selected values are further constrained to fall within measurement uncertainty limits and to satisfy fundamental physical relations (mass conservation, energy conservation, pressure drop relations, etc.) within uncertainty estimates for all SSME subsystems. The parameter selection problem described above is a traditional nonlinear programming problem. The reconciler employs a mixed penalty method to determine optimum values of SSME operating parameters associated with this problem formulation.

Santi, L. Michael↗

Development of soil moisture retrieval algorithm for L-band SAR measurements

A study of algorithm development and testing for soil moisture retrieval for bare fields using L-band synthetic aperture radar (SAR) imagery is reported. First-order surface scattering models predict that the copolarization ratio is sensitive to soil moisture but not to surface roughness. All possible ratios of the co-polarization signals and their linear combinations are evaluated. The best sensitivity to soil moisture is achieved from measurements as predicted by the first-order surface scattering model. The effects of system noise and volume scattering of soil are evaluated. To minimize the effect of the volume scattering, an algorithm which includes both the surface and volume scattering has been developed and tested using Jet Propulsion Laboratory Airborne SAR (JPL AIRSAR) data. The results show that the estimation of soil moisture can be improved after removing the system noise and including the volume scattering effect at large incidence angles.

Shi, Jiancheng↗

A numerical model including PID control of a multizone crystal growth furnace

This paper presents a 2D axisymmetric combined conduction and radiation model of a multizone crystal growth furnace. The model is based on a programmable multizone furnace (PMZF) designed and built at NASA Lewis Research Center for growing high quality semiconductor crystals. A novel feature of this model is a control algorithm which automatically adjusts the power in any number of independently controlled heaters to establish the desired crystal temperatures in the furnace model. The control algorithm eliminates the need for numerous trial and error runs previously required to obtain the same results. The finite element code, FIDAP, used to develop the furnace model, was modified to directly incorporate the control algorithm. This algorithm, which presently uses PID control, and the associated heat transfer model are briefly discussed. Together, they have been used to predict the heater power distributions for a variety of furnace configurations and desired temperature profiles. Examples are included to demonstrate the effectiveness of the PID controlled model in establishing isothermal, Bridgman, and other complicated temperature profies in the sample. Finally, an example is given to show how the algorithm can be used to change the desired profile with time according to a prescribed temperature-time evolution.

Panzarella, Charles H.↗

Systems Health Management and Prognostics Approaches for Electric Aircrafts

As more and more electric vehicles emerge in our daily operation progressively, a very critical challenge lies in the prediction of remaining driving flying time/distance for the flying vehicles. This information is important, particularly in the case of auto vehicles, because such vehicles can become self-aware, autonomously compute its own capabilities, and identify how to best plan and successfully complete vehicular missions safely. In case of electric aircrafts, computing the remaining flying time is also safety-critical, since an aircraft that runs out of power (battery charge) while in the air will eventually lose control leading to catastrophe. To facilitate and solve the prediction problem, awareness of the current health state of the system is key, since it is necessary to perform condition-based predictions. To accurately predict the future state of any system, it is required to possess knowledge of its current health state and future operational conditions. Latest achievements of data-driven algorithms in regression of complex nonlinear functions and classification tasks have generated a growing interest in artificial intelligence for industrial applications. Complex multi-physics models as well as digital twins, once purely built on physics and corresponding simplified lumped parameter iterations, can now benefit from machine learning algorithms to mitigate the lack of understanding of some complex behavior. Given models of the current and future system behavior, a general approach of model-based prognostics can solve the prediction problem and further decision-making. A systematic prediction framework is implemented to identify all possible sources of uncertainty, quantify each of them individually, and mathematically estimate their combined effect on the system-level quantity of interest, in this case, the remaining flying time/distance of the unmanned aircraft. Note - This presentation contains all previously published information.

Systems Health Managent↗

Health Monitoring and Prognostics for Electric Aircrafts

As more and more electric vehicles emerge in our daily operation progressively, a very critical challenge lies in the prediction of remaining driving flying time/distance for the flying vehicles. This information is important, particularly in the case of auto vehicles, because such vehicles can become self-aware, autonomously compute its own capabilities, and identify how to best plan and successfully complete vehicular missions safely. In case of electric aircrafts, computing the remaining flying time is also safety-critical, since an aircraft that runs out of power (battery charge) while in the air will eventually lose control leading to catastrophe. To facilitate and solve the prediction problem, awareness of the current health state of the system is key, since it is necessary to perform condition-based predictions. To accurately predict the future state of any system, it is required to possess knowledge of its current health state and future operational conditions. Latest achievements of data-driven algorithms in regression of complex nonlinear functions and classification tasks have generated a growing interest in artificial intelligence for industrial applications. Complex multi-physics models as well as digital twins, once purely built on physics and corresponding simplified lumped parameter iterations, can now benefit from machine learning algorithms to mitigate the lack of understanding of some complex behavior. Given models of the current and future system behavior, a general approach of model-based prognostics can solve the prediction problem and further decision-making. A systematic prediction framework is implemented to identify all possible sources of uncertainty, quantify each of them individually, and mathematically estimate their combined effect on the system-level quantity of interest, in this case, the remaining flying time/distance of the unmanned aircraft. Note - This presentation contains all previously approved and published information.

Systems Health Managent↗

Taxi Time Prediction at Charlotte Airport Using Fast-Time Simulation and Machine Learning Techniques

Accurate taxi time prediction is required for enabling efficient runway scheduling that can increase runway throughput and reduce taxi times and fuel consumptions on the airport surface. Currently NASA and American Airlines are jointly developing a decision-support tool called Spot and Runway Departure Advisor (SARDA) that assists airport ramp controllers to make gate pushback decisions and improve the overall efficiency of airport surface traffic. In this presentation, we propose to use Linear Optimized Sequencing (LINOS), a discrete-event fast-time simulation tool, to predict taxi times and provide the estimates to the runway scheduler in real-time airport operations. To assess its prediction accuracy, we also introduce a data-driven analytical method using machine learning techniques. These two taxi time prediction methods are evaluated with actual taxi time data obtained from the SARDA human-in-the-loop (HITL) simulation for Charlotte Douglas International Airport (CLT) using various performance measurement metrics. Based on the taxi time prediction results, we also discuss how the prediction accuracy can be affected by the operational complexity at this airport and how we can improve the fast time simulation model before implementing it with an airport scheduling algorithm in a real-time environment.

airport surface traffic↗

Design Protocols and Analytical Strategies that Incorporate Structural Reliability Models

Ceramic matrix composites (CMC) and intermetallic materials (e.g., single crystal nickel aluminide) are high performance materials that exhibit attractive mechanical, thermal, and chemical properties. These materials are critically important in advancing certain performance aspects of gas turbine engines. From an aerospace engineers perspective the new generation of ceramic composites and intermetallics offers a significant potential for raising the thrust/weight ratio and reducing NO(sub x) emissions of gas turbine engines. These aspects have increased interest in utilizing these materials in the hot sections of turbine engines. However, as these materials evolve and their performance characteristics improve a persistent need exists for state-of-the-art analytical methods that predict the response of components fabricated from CMC and intermetallic material systems. This need provided the motivation for the technology developed under this research effort. Continuous ceramic fiber composites exhibit an increase in work of fracture, which allows for 'graceful' rather than catastrophic failure. When loaded in the fiber direction these composites retain substantial strength capacity beyond the initiation of transverse matrix cracking despite the fact that neither of its constituents would exhibit such behavior if tested alone. As additional load is applied beyond first matrix cracking, the matrix tends to break in a series of cracks bridged by the ceramic fibers. Any additional load is born increasingly by the fibers until the ultimate strength of the composite is reached. Thus modeling efforts supported under this research effort have focused on predicting this sort of behavior. For single crystal intermetallics the issues that motivated the technology development involved questions relating to material behavior and component design. Thus the research effort supported by this grant had to determine the statistical nature and source of fracture in a high strength, NiAl single crystal turbine blade material; map a simplistic future strength envelope of the material; develop a statistically based reliability computer algorithm; verify the reliability model and computer algorithm-, and model stator vanes for rig tests. Thus establishing design protocols that enable the engineer to analyze and predict the mechanical behavior of ceramic composites and intermetallics would mitigate the prototype (trial and error) approach currently used by the engineering community. The primary objective of the research effort supported by this short term grant is the continued creation of enabling technologies for the macro-analysis of components fabricated from ceramic composites and intermetallic material systems. The creation of enabling technologies aids in shortening the product development cycle of components fabricated from the new high technology materials.

Duffy, Stephen F.↗

Design Protocols and Analytical Strategies that Incorporate Structural Reliability Models

Ceramic matrix composites (CMC) and intermetallic materials (e.g., single crystal nickel aluminide) are high performance materials that exhibit attractive mechanical, thermal and chemical properties. These materials are critically important in advancing certain performance aspects of gas turbine engines. From an aerospace engineer's perspective the new generation of ceramic composites and intermetallics offers a significant potential for raising the thrust/weight ratio and reducing NO(x) emissions of gas turbine engines. These aspects have increased interest in utilizing these materials in the hot sections of turbine engines. However, as these materials evolve and their performance characteristics improve a persistent need exists for state-of-the-art analytical methods that predict the response of components fabricated from CMC and intermetallic material systems. This need provided the motivation for the technology developed under this research effort. Continuous ceramic fiber composites exhibit an increase in work of fracture, which allows for "graceful" rather than catastrophic failure. When loaded in the fiber direction, these composites retain substantial strength capacity beyond the initiation of transverse matrix cracking despite the fact that neither of its constituents would exhibit such behavior if tested alone. As additional load is applied beyond first matrix cracking, the matrix tends to break in a series of cracks bridged by the ceramic fibers. Any additional load is born increasingly by the fibers until the ultimate strength of the composite is reached. Thus modeling efforts supported under this research effort have focused on predicting this sort of behavior. For single crystal intermetallics the issues that motivated the technology development involved questions relating to material behavior and component design. Thus the research effort supported by this grant had to determine the statistical nature and source of fracture in a high strength, NiAl single crystal turbine blade material; map a simplistic failure strength envelope of the material; develop a statistically based reliability computer algorithm, verify the reliability model and computer algorithm, and model stator vanes for rig tests. Thus establishing design protocols that enable the engineer to analyze and predict the mechanical behavior of ceramic composites and intermetallics would mitigate the prototype (trial and error) approach currently used by the engineering community. The primary objective of the research effort supported by this short term grant is the continued creation of enabling technologies for the macroanalysis of components fabricated from ceramic composites and intermetallic material systems. The creation of enabling technologies aids in shortening the product development cycle of components fabricated from the new high technology materials.

Duffy, Stephen F.↗

Using a Model of Scheduler Runtime to Improve the Effectiveness of Scheduling Embedded in Execution

Scheduling often interacts with execution. When the scheduler is developing a schedule, real time (execution) proceeds. Usually a scheduler cannot modify portions of the schedule expected to start execution prior to the scheduler's expected completion. In deployed systems, often little effort is spent on predicting scheduler runtime and instead an extremely conservative, simple model is used, resulting in loss of performance as less of the schedule can be updated. We develop predictive model(s) of scheduler runtime and use these models to improve scheduler and execution performance. We present several models of scheduler runtime based on a scheduler being deployed onboard NASA's next Mars rover, the M2020 rover Perseverance. The models consider algorithmic complexity, characteristics of the input plan, and prior runtime data. First, we show how these still relatively unsophisticated models can more accurately predict scheduler runtime compared to the static conservative baseline being used for the actual M2020 onboard scheduler. Second, we show how the more accurate scheduler runtime models' tighter (shorter) runtime predictions enable better scheduler performance as measured by makespan and percentage of activities executed. Finally, we discuss a number of future steps to further advance this line of work.

Chi, Wayne↗

Assessment of Evolving TRMM-Based Real-Time Precipitation Estimation Methods and Their Impacts on Hydrologic Prediction in a High-Latitude Basin

The real-time availability of satellite-derived precipitation estimates provides hydrologists an opportunity to improve current hydrologic prediction capability for medium to large river basins. Due to the availability of new satellite data and upgrades to the precipitation algorithms, the Tropical Rainfall Measuring Mission (TRMM) Multi-satellite Precipitation Analysis real-time estimates (TMPA-RT) have been undergoing several important revisions over the past ten years. In this study, the changes of the relative accuracy and hydrologic potential of TMPA-RT estimates over its three major evolving periods were evaluated and inter-compared at daily, monthly and seasonal scales in the high-latitude Laohahe basin in China. Assessment results show that the performance of TMPA-RT in terms of precipitation estimation and streamflow simulation was significantly improved after 3 February 2005. Overestimation during winter months was noteworthy and consistent, which is suggested to be a consequence from interference of snow cover to the passive microwave retrievals. Rainfall estimated by the new version 6 of TMPA-RT starting from 1 October 2008 to present has higher correlations with independent gauge observations and tends to perform better in detecting rain compared to the prior periods, although it suffers larger mean error and relative bias. After a simple bias correction, this latest dataset of TMPA-RT exhibited the best capability in capturing hydrologic response among the three tested periods. In summary, this study demonstrated that there is an increasing potential in the use of TMPA-RT in hydrologic streamflow simulations over its three algorithm upgrade periods, but still with significant challenges during the winter snowing events.

hydrologic prediction↗

Experimental code verification results for reflector antenna distortion compensation by array feeds

Electronic compensation of reflector surface distortion using array feed with individual amplitude and phase control of the array elements is becoming increasingly attractive because of the recent advances in monolithic microwave integrated circuit (MMIC) technology. An algorithm has been developed previously using the concept of focal plane conjugate field matching in the receive mode and a computer code has been generated that predicts the proper excitation coefficients for the elements of the reflector feed array to compensate the effects of reflector surface distortion. This paper presents the results of an experimental study to verify the above compensation algorithm and in general to demonstrate the effectiveness of the array feed compensation technique.

Zaman, A. J.↗

Machine Learning Application to Atmospheric Chemistry Modeling

Atmospheric chemistry is a high-dimensionality, large-data problem and thus may be suited to machine-learning algorithms. We show here the potential of a random forest regression algorithm to replace the gas-phase chemistry solver in the GEOS-Chem chemistry model. In this proof-of-concept study, we used one month of model output to train random forest regression models to predict the concentrations of each long-lived chemical species after integration based upon the physical and chemical conditions before the chemical integration. The choice of prediction type has a strong impact on the skill of the regression model. We find best results from predicting the change in concentration for very long-lived species and the absolute concentration for shorter lived species. The skill of the machine learning algorithm is further improved by using a family approach for NO and NO2 rather than treating them independently.By replacing the numerical integrator with the random forest algorithm and running this model for one month, we find that the model is able to reproduce many of the features of the reference chemistry simulation. Replacing the integration methodology with a machine learning algorithm has the potential to be substantially faster. There are a wide range of applications for such an approach, e.g. to generate boundary conditions, for use in air quality forecasts or chemical data assimilation systems, etc.

Keller, Christoph A.↗