Data assimilation algorithms rely on a basic assumption of an unbiased observation error. However, the presence of inconsistent measurements with nontrivial biases or inseparable baselines is unavoidable in practice. Assimilation analysis might diverge from reality since the data assimilation itself cannot distinguish whether the differences between model simulations and observations are due to the biased observations or model deficiencies. Unfortunately, modeling of observation biases or baselines which show strong spatiotemporal variability is a challenging task. In this study, we report how data-driven machine learning can be used to perform observation bias correction for data assimilation through a real application, which is the dust emission inversion using PM10 observations. PM10 observations are considered unbiased; however, a bias correction is necessary if they are used as a proxy for dust during dust storms since they actually represent a sum of dust particles and non-dust aerosols. Two observation bias correction methods have been designed in order to use PM10 measurements as proxy for the dust storm loads under severe dust conditions. The first one is the conventional chemistry transport model (CTM) that simulates life cycles of non-dust aerosols. The other one is the machine-learning model that describes the relations between the regular PM10 and other air quality measurements. The latter is trained by learning using 2 years of historical samples. The machine-learning-based non-dust model is shown to be in better agreement with observations compared to the CTM. The dust emission inversion tests have been performed, through assimilating either the raw measurements or the bias-corrected dust observations using either the CTM or machine-learning model. The emission field, surface dust concentration, and forecast skill are evaluated. The worst case is when we directly assimilate the original observations. The forecasts driven by the a posteriori emission in this case even result in larger errors than the reference prediction. This shows the necessities of bias correction in data assimilation. The best results are obtained when using the machine-learning model for bias correction, with the existing measurements used more precisely and the resulting forecasts close to reality.

We discuss the various performance aspects of parallelizing our transient global-scale groundwater model at 30^′′ resolution (30 arcsec; ∼ 1 km at the Equator) on large distributed memory parallel clusters. This model, referred to as GLOBGM, is the successor of our 5^′ (5 arcmin; ∼ 10 km at the Equator) PCR-GLOBWB 2 (PCRaster Global Water Balance model) groundwater model, based on MODFLOW having two model layers. The current version of GLOBGM (v1.0) used in this study also has two model layers, is uncalibrated, and uses available 30^′′ PCR-GLOBWB data. Increasing the model resolution from 5^′ to 30^′′ creates challenges, including increased runtime, memory usage, and data storage that exceed the capacity of a single computer. We show that our parallelization tackles these problems with relatively low parallel hardware requirements to meet the needs of users or modelers who do not have exclusive access to hundreds or thousands of nodes within a supercomputer. For our simulation, we use unstructured grids and a prototype version of MODFLOW 6 that we have parallelized using the message-passing interface. We construct independent unstructured grids with a total of 278 million active cells to cancel all redundant sea and land cells, while satisfying all necessary boundary conditions, and distribute them over three continental-scale groundwater models (168 million – Afro–Eurasia; 77 million – the Americas; 16 million – Australia) and one remaining model for the smaller islands (17 million). Each of the four groundwater models is partitioned into multiple non-overlapping submodels that are tightly coupled within the MODFLOW linear solver, where each submodel is uniquely assigned to one processor core, and associated submodel data are written in parallel during the pre-processing, using data tiles. For balancing the parallel workload in advance, we apply the widely used METIS graph partitioner in two ways: it is straightforwardly applied to all (lateral) model grid cells, and it is applied in an area-based manner to HydroBASINS catchments that are assigned to submodels for pre-sorting to a future coupling with surface water. We consider an experiment for simulating the years 1958–2015 with daily time steps and monthly input, including a 20-year spin-up, on the Dutch national supercomputer Snellius. Given that the serial simulation would require ∼ 4.5 months of runtime, we set a hypothetical target of a maximum of 16 h of simulation runtime. We show that 12 nodes (32 cores per node; 384 cores in total) are sufficient to achieve this target, resulting in a speedup of 138 for the largest Afro–Eurasia model when using 7 nodes (224 cores) in parallel. A limited evaluation of the model output using the United States Geological Survey (USGS) National Water Information System (NWIS) head observations for the contiguous United States was conducted. This showed that increasing the resolution from 5^′ to 30^′′ results in a significant improvement with GLOBGM for the steady-state simulation when compared to the 5^′ PCR-GLOBWB groundwater model. However, results for the transient simulation are quite similar, and there is much room for improvement. Monthly and multi-year total terrestrial water storage anomalies derived from the GLOBGM and PCR-GLOBWB models, however, compared favorably with observations from the GRACE satellite. For the next versions of GLOBGM, further improvements require a more detailed (hydro)geological schematization and better information on the locations, depths, and pumping rates of abstraction wells.

Last spring, super dust storms reappeared in East Asia after being absent for one and a half decades. The event caused enormous losses in both Mongolia and China. Accurate simulation of such super sandstorms is valuable for the quantification of health damage, aviation risks, and profound impacts on the Earth system, but also to reveal the climatic driving force and the process of desertification. However, accurate simulation of dust life cycles is challenging, mainly due to imperfect knowledge of emissions. In this study, the emissions that lead to the 2021 spring dust storms are estimated through assimilation of MODIS AOD and ground-based PM₁₀ concentration data simultaneously. With this, the dust concentrations during these super storms could be reproduced and validated with concentration observations. The multi-observation assimilation is also compared against emission inversion that assimilates AOD or PM₁₀ concentration measurements alone, and the added values are analyzed. The emission inversion results reveal that wind-blown dust emissions originated from both China and Mongolia during spring 2021. Specifically, 19.9×10⁶ and 37.5×10⁶ t of particles were released in the Chinese and Mongolian Gobi, respectively, during these severe dust events. By source apportionment it was revealed that the Mongolian Gobi poses more severe threats to the densely populated regions of the Fenwei Plain (FWP) and the North China Plain (NCP) located in northern China than does the Chinese Gobi. It was estimated that 63 % of the dust deposited in FWP was due to transnational transport from Mongolia. For NCP, the long-distance transport dust from Mongolia contributes about 69 % to the dust deposition.

Aerosol optical depths (AODs) from the new Himawari‐8 satellite instrument have been assimilated in a dust simulation model over East Asia. This advanced geostationary instrument is capable of monitoring the East Asian dust storms which usually have great spatial and temporal variability. The quality of the data has been verified through a comparison with AErosol RObotic NETwork AODs. This study focuses on extreme dust events only when dust aerosols are dominant; promising results are obtained in AOD assimilation experiments during a case in May 2017. The dust emission fields that drive the simulation model are strongly improved by the inverse modeling, and consequently, the simulated dust concentrations are in better agreements with the observed AOD as well as ground‐based observations of PM₁₀. However, some satellite AODs show significant inconsistence with the simulations and the PM₁₀ and AErosol RObotic NETwork observations, which might arise from retrieval errors over a partially clouded scene. The data assimilation procedure therefore includes a screening method to exclude these observations in order to avoid unrealistic results. A dust mask screening method is designed, which is based on selecting only those observations where the deterministic model produces a substantial amount of dust. This screen algorithm is tested to give more accurate result compared to the traditional method based on background covariance in the case study. Note that our screen method would exclude valuable information in case the model is not able to simulate the dust plume shape correctly; hence, applications in related studies require inspections of simulations and observations by user.

Atmospheric ammonia has been hazardous to the environment and human health for decades. Current inventories are usually constructed in a bottom-up manner and subject to uncertainties and incapable of reproducing the spatiotemporal characteristics of ammonia emission. Satellite measurements, for example, Infrared Atmospheric Sounder Interferometer (IASI) and Cross-Track Infrared Sounder, which provide global coverage of ammonia distribution, have gained popularity in ammonia emission estimation through data assimilation methods. However, satellite-based emission inversion studies on China are limited. In this study, we propose a four-dimensional ensemble variational-based ammonia emission inversion system to optimize ammonia emissions in China. It was developed by assimilating the IASI ammonia retrievals onboard Meteorological Operational satellite A and B into a chemical transport model Goddard Earth Observing System Chemical model (GEOS-Chem). Monthly inversion experiments were conducted in April, July, and October 2016 to test the performance. The inversion result indicated that the prior inventory from the MEIC model captured ammonia spreads in general; however, it heterogeneously underrated the emission intensity. The increments obtained in the assimilation were as high as 50% in North, East, and Northwest China. The posterior emission inventory presented a regional emission flux consistent with relevant studies. Driven by the optimized source estimate, GEOS-Chem provides superior results than using the prior in the evaluation of the assimilated IASI retrievals and the surface ammonia concentration measured by the ground-based Ammonia Monitoring Network in China.