2.1. Dataset
The LandBench dataset was created in a previous study to predict surface variables. The LandBench dataset is freely available for download at the National Tibetan Plateau Science Data Centre (tpdc.ac.cn) (
https://cstr.cn/18406.11.Atmos.tpdc.300294, accessed on 20 May 2026) whose detailed specifications are listed in
Table 1. It encompasses a diverse set of global variables sourced from the ERA5-Land, ERA5 reanalysis, SoilGrid, SMSC, and MODIS datasets. The data has been formatted into daily records at resolutions of 0.5°, 1°, 2°, and 4°, catering to its applicability in data-driven models.
For the purposes of this study, we specifically employ data with a resolution of 1° [
33]. We selected the 1° spatial resolution after a quantitative comparison of four resolutions (0.5°, 1°, 2°, 4°) in terms of prediction accuracy and computational cost (
Table 2). The 0.5° resolution achieved a slightly higher
(0.562) and lower RMSE (0.031) for 1-day ahead prediction, but its computational burden was nearly 4 times that of 1°: single-epoch training time increased from 215 s to 826 s, GPU memory usage rose from 6.2 GB to 24.8 GB, and the model parameters expanded to 18.6 M. Moreover, the high-resolution data introduced severe surface noise, leading to a 0.03–0.05 drop in
in arid and semi-arid regions. The 2° and 4° resolutions significantly reduced accuracy, with
decreasing to 0.518 and 0.472, respectively, and RMSE increasing to 0.035 and 0.039. These coarse resolutions lost critical regional heterogeneity (e.g., arid-humid transitions and small topographic effects), making them unsuitable for drought early warning and regional application. The 1° resolution maintained near-optimal prediction accuracy, while cutting computational cost by 74% compared with 0.5°, and avoided excessive information loss of coarse resolutions. It thus achieves the best trade-off between prediction accuracy, computational efficiency, and spatial detail for global soil moisture prediction.
In future work, we plan to use high-performance computing to compare different resolutions and better understand how resolution affects prediction accuracy. Min-max normalization was applied strictly based on the training set (1997–2019) only. The minimum and maximum values for each feature were computed exclusively from the training data, and the test set (2020) was normalized using these precomputed statistics. This strict operation avoids temporal data leakage and ensures the test set remains completely unseen during both training and normalization, conforming to the standard protocol for spatiotemporal prediction. The training dataset encompasses the period from 1 January 1997, to 31 December 2019, while the test dataset covers the period from 1 January 2020, to 31 December 2020. This strict temporal extrapolation split ensures no temporal overlap between the training and test sets, which maximally simulates real-world prediction scenarios, avoids data leakage, and improves the generalization ability of the model. The LandBench dataset is a global 1° resolution dataset covering various climate zones, soil types and vegetation covers worldwide, providing sufficient spatial diversity and representativeness for the generalization of the model. We set the test set to just 2020, and there are two main reasons. One is that 2020 is the latest complete annual period with consistent and high-quality global coverage in the publicly available LandBench dataset, allowing us to evaluate the model using the most up-to-date and reliable land surface variables. The other is that 2020 had strong climatic heterogeneity—regional extreme droughts, extreme wet spells, and other abnormal conditions. Testing on such a non-stationary year is more demanding than using multiple years with stable climate and provides a more realistic assessment of how the model handles complex soil moisture patterns in practical scenarios.
We only used one year (2020) for testing, so we took several steps to make sure the model was robust. First, we split the data strictly by time: training on 1997–2019, testing on 2020, with no overlap. This avoids data leakage and ensures the model is evaluated on completely unseen data. Second, we conducted time-aware (chronological) 5-fold cross-validation on the 1997–2019 training set without random shuffling. The data were split strictly in temporal order—the training subset of each fold always preceded the validation subset in time—this completely avoids future information leakage. In each fold, the early chronological 80% of data was used for training and the subsequent 20% for validation, and the model with the lowest validation loss was selected as the final version. This procedure effectively reduces overfitting and confirms consistent performance across different temporal subsets. Third, we added several regularization techniques during training—dropout, spatiotemporal random sampling, and training-set-only min–max normalization—to improve generalization to unseen data. Fourth, we evaluated model performance on the 2020 test set across diverse conditions, including climate zones (arid, semi-arid, humid), seasons, and land cover types. The model maintained stable predictions across all these subsets, demonstrating its ability to adapt to a wide range of global surface conditions.
Three types of data at 1° daily resolution are used for model training, validation and analysis: (1) input features, including 10 standard surface variables: 2-m temperature, 10-m u-component wind, 10-m v-component wind, precipitation, surface pressure, specific humidity, surface solar downward radiation, surface thermal downward radiation, topsoil temperature, and soil water capacity; (2) target variable, 0–7 cm topsoil volumetric water content from ERA5-Land; (3) drought validation data, the Soil Water Deficit Index (SWDI) derived from soil moisture time series.
The data extraction and preprocessing workflow is as follows: first, 1° resolution daily data from 1997 to 2020 are extracted and grids over oceans and permanent glaciers are removed; second, the target variable and 10 input features are extracted to form spatiotemporal raster data; third, data are split chronologically into training and test sets without overlap; fourth, we first conduct preliminary feature screening using Pearson correlation coefficient (removing features with absolute correlation < 0.1 with soil moisture); to further quantify the nonlinear relationships between predictors and soil moisture, we supplement SHAP (SHapley Additive exPlanations) analysis to verify feature importance, ensuring the rationality of feature selection; fifth, min-max normalization is applied using statistics calculated only from the training set; sixth, a 5D tensor (Batch × Time × Channel × Latitude × Longitude) is constructed with a 7-day time window; finally, grids with >5% missing or abnormal values are excluded to ensure data quality. The SHAP analysis reveals the dominant nonlinear contributions of precipitation, soil temperature and specific humidity to soil moisture, which validates the effectiveness of our feature selection strategy.
We chose the ten input variables based on two main considerations: how soil moisture forms and changes, and a correlation analysis. All of them are known to directly or indirectly affect soil moisture over time and space. Air temperature, surface radiation, and soil temperature drive evapotranspiration, which consumes soil water. Precipitation directly recharges soil water and is a key input. Wind and specific humidity affect near-surface water vapor exchange and thus regulate evaporation. Surface pressure and soil water capacity influence how much water the soil can hold and retain, from both atmospheric and soil background perspectives. Before building the model, we ran a Pearson correlation analysis between each candidate variable and the 0–7 cm soil moisture. We dropped any variable with an absolute correlation below 0.1. The final ten variables all showed a clear correlation with soil moisture, which gives us confidence that the inputs are physically relevant and statistically meaningful for prediction. In response to the influence of vegetation coverage on soil moisture dynamics, we additionally introduced the Normalized Difference Vegetation Index (NDVI) from the MODIS dataset as the 11th input feature. NDVI is a globally consistent indicator for quantifying vegetation fractional cover, which directly regulates soil moisture through vegetation transpiration, canopy interception, and surface infiltration. It has a clear physical coupling with topsoil moisture variation and was included to strengthen the model’s representation of vegetation-related controls. All input variables of the model are universal standard surface variables, including meteorology, soil and radiation, without dataset-specific features, which endows the model with the potential to be adapted to other mainstream soil moisture remote sensing and reanalysis datasets. The NDVI product used in this study is the monthly MOD13A3 product at 1° resolution, resampled to match the temporal and spatial consistency of other meteorological and soil variables. To characterize the influence of land use and underlying surface heterogeneity, we further included land use type (LUT) and underlying surface type (UST) as two categorical input features, derived from the MODIS land cover product and ERA5-Land surface dataset. These features were encoded into one-hot vectors to be compatible with model input, so as to distinguish soil moisture patterns over cultivated land, forest, grassland, desert, construction land, and other underlying surfaces.
The input variables of this model consist of ten parameters, namely 2-m temperature, 10-m u-component of wind, 10-m v-component of wind, precipitation, surface pressure, specific humidity, surface solar radiation downwards (in watts per square meter), surface thermal radiation downwards (in watts per square meter), soil temperature at the first level, and soil water capacity. All the above input variables are globally universal standardized surface meteorological, soil and radiation variables, which can be uniformly extracted from various remote sensing satellite data products such as Sentinel-2, SMAP, ASCAT and MODIS, as well as reanalysis datasets like ERA5 and ERA5-Land. They are not affected by differences in band settings and spectral response characteristics of remote sensing images. Meanwhile, the LandBench dataset provides multiple spatial resolutions of 0.5°, 1°, 2° and 4°, which verifies the model’s adaptability to remote sensing data with different resolutions. The primary objective of this study is to predict the volumetric soil water content in the 0-7cm layer. Detailed experimental data are presented in
Table 3.
All experiments were implemented on a computing platform with an NVIDIA RTX 3090 (24 GB) GPU. The data type was set to float32 for numerical stability. The Adam optimizer was adopted with a fixed learning rate of 0.001, and early stopping was applied to prevent overfitting. Additional fixed hyperparameters include a dropout rate of 0.15 for regularization, a convolution kernel size of 3 for the main network, and a 1 × 1 × 1 convolution kernel for the 3D-SENet attention module. All configurations are strictly consistent with the experimental settings to ensure complete reproducibility. In this experimental setup, we systematically chose a batch size of 64 for each iteration, conducting a total of 500 iterations. We did not pick batch size (64) and iterations (500) at random. We used grid search to tune them. For batch size, we tried four common values: 16, 32, 64, and 128. For iterations, we tested three settings: 300, 500, and 800. We used the minimum validation loss as the main criterion, but we also considered training efficiency. The results showed that with batch sizes of 16 or 32, training converged too slowly and often got stuck in local optima. With batch size 128, the batches were so large that the model could not learn local features well, and validation loss went up. With only 300 iterations, the model did not converge and prediction accuracy was low. With 800 iterations, the model did converge but showed slight overfitting, and training time increased a lot. In the end, batch sizes of 64 and 500 iterations gave the best balance: the model converged quickly to a good solution, learned features properly, and kept training time reasonable. So we chose that combination for our experiments.
The determination of the final model was based on recording the results of the best-performing generation. Significantly, a dropout rate of 0.15 was selected to augment the model’s generalization capabilities. We set the dropout rate to 0.15 after running several comparative experiments and checking similar studies. The goal was to balance suppressing overfitting and preserving the model’s ability to learn features. We tested four dropout rates: 0.1, 0.15, 0.2, and 0.5, using validation
and RMSE as the criteria. With a dropout rate of 0.1, regularization was too weak and the model still showed slight overfitting, yielding a validation
of 0.541 and RMSE of 0.034. With 0.2 or 0.5, regularization was too strong—the model could not learn the key spatiotemporal features well, leading to underfitting; the
dropped to 0.540 and 0.526, while RMSE increased to 0.033 and 0.035, respectively. In contrast, 0.15 worked well: it controlled overfitting while still letting the model capture the main spatiotemporal patterns of soil moisture, achieving the optimal validation performance with
of 0.555 and RMSE of 0.032. This value also matches what other studies in land surface and hydrological prediction commonly use as an optimal dropout rate. The detailed quantitative comparison results for different dropout rates are further summarized in
Table 4 for intuitive observation and comparison.
For both graph-point and graph-graph predictions, a consistent window size of 7 was adopted. We set the temporal window to 7 days, which is well supported by published studies on spatiotemporal prediction of soil moisture and land surface variables [
10,
17,
33]. This was based on how soil moisture varies over time and the periodic patterns of the driving meteorological factors. Short-term changes in soil moisture are mainly controlled by weekly-scale factors like weekly precipitation and weekly radiation. A 7-day window captures those weekly patterns well, so the model can learn the temporal dependencies in soil moisture. This window length has been widely used as a standard short-term input setting for LSTM/ConvLSTM models in global soil moisture forecasting [
32] and is consistent with the benchmark configuration in the LandBench dataset [
33]. This choice also follows the common practice for short-term windows in hydrology and land surface parameter prediction.
We ran a sensitivity analysis to check whether the 7-day window made sense. We tested four window sizes: 3, 5, 7, and 10 days, using and RMSE for 1-day ahead predictions as the main metrics. With a 3- or 5-day window, the window was too short. The model could not fully capture the short-term temporal dependence of soil moisture, especially the cumulative effects of things like precipitation and radiation, so prediction accuracy was low. With a 10-day window, it was too long. That introduced redundant temporal features, increased computation, and added noise, so accuracy did not improve—it even dropped slightly. The 7-day window hit the sweet spot. It captured the short-term spatiotemporal patterns of soil moisture well, avoided redundant features and noise, and gave the best balance between accuracy and efficiency. That confirmed our choice was reasonable.
We additionally carried out the identical time window sensitivity analysis for the 5-day ahead soil moisture prediction task to verify whether the optimal temporal configuration varies with prediction horizon. We tested the same candidate time window lengths, including 7, 10 and 14 days, under the experimental setting of 5-day forecasting. The results indicate that the 7-day window, which was optimal for 1-day prediction, exhibits limited capability in capturing long-range temporal dependence and yields relatively lower validation accuracy for 5-day prediction. By comparison, the 10-day time window can sufficiently extract spatiotemporal sequential features and achieve the best comprehensive performance for 5-day forecasting, while a further extended 14-day window brings redundant temporal information and slight performance degradation. This further verifies that the optimal time window dependency is not fixed, but changes adaptively with the increase in prediction lead time.
The selection of 3 × 3 convolution kernel and padding = 1 is supported by existing literature and the spatial characteristics of soil moisture. Global soil moisture at 1° resolution exhibits strong local spatial autocorrelation and small-scale heterogeneity, and its effective spatial dependence range is concentrated in adjacent grid neighborhoods [
17,
32]. The 3 × 3 convolution kernel is the standard configuration for spatiotemporal prediction models such as ConvLSTM, which can fully capture the local spatial features of soil moisture without introducing redundant information from distant grids [
10,
19]. Larger convolution kernels and dilated convolutions are not applicable to this study: larger kernels will expand the receptive field excessively, leading to the loss of fine-scale spatial heterogeneity of soil moisture; dilated convolutions will cause discontinuous spatial sampling, destroying the continuous spatial distribution pattern of surface soil moisture. In addition, padding = 1 ensures that the input and output image dimensions are consistent, which is conducive to the fusion of spatiotemporal features in the CTA-GraphConvLSTM model.
This study adopts the LandBench reanalysis dataset for experiments, and has not carried out field measurement and laboratory determination of soil moisture. For global-scale research at 1° spatial resolution, point-scale in-situ observations are spatially incompatible with grid-based modeling results: a single ground measurement can only represent a tiny local area, which is unable to reflect the average soil moisture status of a complete 1° × 1° grid cell. In addition, global field sampling requires extremely high costs, and the worldwide ground monitoring stations are sparsely and unevenly distributed, making it impossible to obtain sufficient and representative measured data for global validation. Large-scale indoor physical and chemical determination also cannot be implemented efficiently and quickly. The ERA5-Land reanalysis data used in this study have been widely verified by the international academic community, showing high consistency with field-measured soil moisture across global climate zones, and has been recognized as the most authoritative standard data source for global soil moisture prediction and related operational applications. Meanwhile, no agricultural field experiment verification has been conducted in this study, since global-scale cross-regional field experiments feature long cycles, high costs and difficult implementation. Nonetheless, the model outputs 1° global gridded soil moisture of the 0–7 cm tillage layer, which is completely consistent with the data format and spatial scale required by practical operational systems (e.g., agricultural irrigation scheduling, water resource management, drought early warning). The core input variables of the model are also universal surface meteorological and soil parameters, so the prediction results fully meet the needs of agricultural and hydrological applications and possess clear and reliable practical application value.
2.3. Model Performance Assessment
All comparison models in this study adopt completely unified experimental settings, and only the network structure is different to ensure fair comparison. The unified settings include: training set (1997–2019), test set (2020), time window 7, batch size 64, dropout = 0.15, and min-max normalization. 1-day and 5-day ahead predictions are selected as typical time scales for performance evaluation. The soil moisture values for lead times of 1 day and 5 days were selected as the target variables. The dataset was divided into training and testing sets. The data from 1 January 1997 to 31 December 2019 was used as the training dataset. During training, the generation with the lowest loss was recorded as the final testing model. To comprehensively and multi-dimensionally evaluate the regression performance of the soil moisture prediction model, we selected bias (Bias), root mean square error (RMSE), correlation coefficient (R), coefficient of determination
, Kling-Gupta Efficiency (KGE) and unbiased root mean square error (ubRMSE) as the core evaluation metrics, and did not adopt the mean absolute error (MAE). The core selection basis and the impact of metric selection on result interpretation are as follows: the selected metrics cover three key dimensions of regression model performance evaluation. Systematic deviation (Bias) measures the average deviation between predicted and true values, reflecting whether the model has systematic overestimation or underestimation. Overall error (RMSE/ubRMSE) quantifies the root mean square error with and without systematic deviation, respectively, to evaluate the overall prediction accuracy of the model. Linear correlation (
) characterizes the linear correlation and goodness of fit between predicted and true values, reflecting the model’s ability to capture the spatiotemporal variation law of soil moisture. KGE is a classic comprehensive metric in hydrological simulation that integrates correlation, variability and mean bias to compensate for the limitations of single metrics. The synergy of the five metrics enables a comprehensive evaluation of model performance and avoids the one-sidedness of interpretation with a single metric. The optimal model is selected by the lowest validation RMSE and highest validation
, and all metrics are used for comprehensive result interpretation. MAE was not selected because it weights all prediction errors equally and has low sensitivity to extreme errors. However, this study focuses on global-scale soil moisture and drought level prediction, where extreme soil moisture anomalies (e.g., severe drought, extreme wetness) are the core concerns of drought early warning and precision agriculture. RMSE’s high sensitivity to extreme errors is more in line with the practical application needs of this study, and can effectively reflect the model’s prediction ability for extreme hydrological scenarios. Metric selection directly determines the focus of result interpretation: focusing only on correlation while ignoring error metrics may overlook the actual prediction accuracy of the model; focusing only on error while ignoring correlation cannot judge whether the model captures the inherent variation law of soil moisture. Joint evaluation with multiple metrics enables an objective and comprehensive interpretation of model performance, and provides targeted directions for model optimization. Finally, bias, root mean square error (RMSE), correlation coefficient (R) and KGE were chosen as performance evaluation metrics [
33,
35]. Bias measures systematic deviations from actual values, R quantifies the degree to which the model captures data variations, and RMSE assesses the accuracy of the model in predicting volatility. These metrics serve as reliable indicators for the overall performance evaluation of both data-driven deep learning models and process-based models. Furthermore, R-squared (
) and unbiased root mean square error (
) are utilized to assess the performance of the model.
They are defined as follows:
where
and
represent the ground truth and prediction for the i-th time step, respectively.
and
are the respective mean values for ground truth and predictions.
N represents the total number of samples.
and
represent the standard deviations of the predicted and observed values, respectively.
r is the Pearson correlation coefficient;
denotes the ratio of standard deviations between predictions and observations;
denotes the ratio of mean values between predictions and observations. The range of KGE is
, and a value closer to 1 indicates better model performance.
The Soil Water Deficit Index (SWDI) performs well in defining the level and severity of drought [
36]. The calculation of SWDI is as follows:
where
denotes the Soil Water Deficit Index,
represents the time series of ERA5-Land soil moisture or model-predicted soil moisture, and
,
and
denote field capacity, wilting point, and available water capacity, respectively. There are various methods to define
and
. In this study, we chose the 18th and 346th soil moisture values from the time series to represent
and
. This selection is grounded in solid scientific rationale, aligning with both the statistical properties of the ERA5-Land dataset and established norms in agricultural hydrology. For the ERA5-Land 0–7 cm soil moisture time series (sorted in ascending order), the 18th quantile corresponds to the critical state where soil retains maximum capillary water after saturated drainage—directly matching the hydrological definition of
(field capacity), the upper limit of plant-available water. The 346th quantile reflects the minimum soil moisture at which plants undergo permanent wilting, consistent with the core characteristic of
(wilting point), the lower limit of plant-available water. This quantile-based approach is consistent with the Specifications for Agricultural Meteorological Observation and widely adopted in mainstream studies on soil moisture retrieval and drought index calculation [
36,
37]. It ensures the rationality of
and
characterization, laying a reliable foundation for accurate SWDI-based drought level classification. The daily SWDI is calculated based on the time series of soil moisture from each grid point in the ERA5-Land dataset and the predicted soil moisture data from the model. All data processing, statistical analysis and programming modeling in this study were implemented using Python 3.10.