Methodology
A supervised sliding-window model was constructed to predict the future PM2.5 value at time t + 1 from preceding hourly observations. Candidate input-window lengths of 12, 24, and 48 hourly time steps were evaluated using validation performance, and the final CORTA-Net configuration used a 24-hour input sequence. Linear interpolation was used to fill missing values; outliers were removed using the IQR method; and all variables were scaled using min-max normalization before generating lagged PM2.5 features. The CorrXGBoost-Rank procedure was then applied for feature selection. First, Pearson correlation filtering retained variables with |r| ≥ 0.30. Second, highly redundant feature pairs with pairwise correlation |corr(xi, xj)| ≥ 0.85 were filtered to reduce multicollinearity. Third, an XGBoost regressor was trained on the remaining variables, and predictors with XGBoost gain-based importance scores ≥ 0.015 were retained for the final model input. The final CORTA-Net architecture consisted of stacked LSTM layers for temporal encoding, a multi-head attention layer for feature- and time-step-level weighting, and dense regression layers for PM2.5 estimation. The model was trained using the Adam optimizer with mean squared error loss and early stopping. Model evaluation was performed using RMSE and R2 across training, validation, testing, and 10-fold cross-validation partitions. Table 2 represents the Data preprocessing and feature engineering summary.
| Step | Method used | Parameter / threshold | Purpose |
| Missing value calculation | Percentage of missing observations | Report variable-wise percentage | Quantifies data completeness |
| Short-gap imputation | Linear interpolation | Gap length ≤ 6 h | Fills short missing intervals |
| Outlier detection | IQR method | Q1 − 1.5 × IQR, Q3 + 1.5 × IQR | Removes invalid extreme values |
| Normalization | Min-Max scaling | Training-set min and max | Standardizes feature range |
| PM₂.₅ lags | Lagged variables | lag₁, lag₂, lag₃ | Captures temporal persistence |
| Rolling statistics | Moving averages | 3 h, 6 h, 12 h, 24 h | Captures short-term accumulation |
| Fire-count feature | MODIS FIRECOUNT | Same-day / previous-day count | Represents regional fire influence |
Table 2: Data preprocessing and feature engineering summary. In Table 2, data processing is done in two ways: first, through the cleaning and transformation of the raw data (preprocessing), and second, via feature engineering to create/select/modify characteristics (features). As a unit, these two processes help eliminate or reduce noise; handle missing values; improve data consistency; and create more predictive models.
The normalization parameters were estimated only from the training set and then applied unchanged to the testing and validation sets to avoid information leakage.
Mathematical formulation of CorrXGBoost-rank
Let X = {x1, x2, ..., xn} denote the set of candidate input variables, and y denote the target PM₂.₅ concentration. For each feature xi, the Pearson correlation coefficient with the target variable was calculated as:
(1)
where cov(xi, y) is the covariance between feature xi and target y, and σxi and σy are their standard deviations. Retained features satisfying: |ri| ≥ τr where τr = 0.30 in this study.
Pairwise correlations were calculated among all retained features_xi, xj, and if |corr(xi, xj)| >= τred, where τred = 0.85, the feature with the lower absolute correlation to the PM2.5 target is dropped from the feature set. This process reduces variables from the feature set that have multicollinearity. Following this, an XGBoost regressor model was fit to the remaining features, and feature-importance scores were calculated for each feature using XGBoost importance, and features satisfying i_i ≥ τxgb where τxgb = 0.015 were kept in the final feature set (S") defined as Sfinal= Scorr ∪ Sxgb, i.e. the feature set defined by filtering features for redundancy with respect to correlation and removing any features based on XGBoost variable importance. The overall approach taken in the feature selection is as follows: calculate feature target pairwise Pearson correlation, discard features having |r_i|< 0.30, discard features with pairs having pairwise correlations ≥ 0.85, fit XGBoost to remaining features, keep features having XGBoost Importance Score ≥ 0.015, define the final desired features Sfinal=Scorr ∪ Sxgb, where Scorr are the features kept after redundant correlation filtering, and Sxgb are the features selected using XGBoost feature importance score. The CorrXGBoost-Rank workflow is therefore: compute feature-target Pearson correlation, remove features with |ri| < 0.30, remove highly redundant features with pairwise correlation ≥ 0.85, train XGBoost on the remaining variables, retain variables with XGBoost importance score ≥ 0.015, and use the union of correlation-selected and XGBoost-selected variables as the final feature set. The parameters used in this study are τr = 0.30, τred = 0.85, and τxgb = 0.015.
Data sources
The authors integrated three large datasets for the study; these are data on air pollutants (PM2.5, PM10, NO2, CO and SO₂) which the authors obtained through CPCB (Central Pollution Control Board) / DPCC (Delhi Pollution Control Committee) monitoring of air quality, meteorological data (temperature, humidity, wind speed/direction and pressure) from the Indian meteorological department (IMD) and satellite information on active fires from the MODIS Active Fire Products from NASA. These three datasets cover the 12-year period January 2012–December 2023 and thus represent different types of emissions. Fire incidents contribute to air pollution, as illustrated in Supplementary Figure 2, which shows FIRECOUNT trends from 2012 to 2024.
Long-term trends of pollutants across the study period
Figure 1 shows long-term trends of pollutants over the study years (2012–2024). Annual fire counts and average PM₂.₅ concentrations between 2012 and 2024 have a moderately strong positive relationship (r = 0.688), indicating that higher fire activity typically relates to higher PM₂.₅ concentrations. Both measured and predicted PM₂.₅ data follow a similar trend, supporting the idea that biomass burning contributes to particulate pollution. Although there is significant interannual variability, fire-related emissions are an important factor in determining PM₂.₅ variability, underscoring the need for regional fire management to improve air quality. The autocorrelation of predicted PM2.5 at thirty lags, shown in Supplementary Figure 3, has considerable positive autocorrelation at nearly all thirty lags, confirming that PM2.5 in Delhi has a strong temporal dependence and multi-day persistence.

Figure 1: Long-term PM₂.₅ and fire-count trends from 2012 to 2024. Figure 1 compares annual fire-count variation with observed and predicted PM₂.₅ concentrations. PM₂.₅ is reported in µg/m3. FIRECOUNT represents satellite-derived fire activity from MODIS products. Please click here to view a larger version of this figure.
STL (Seasonal and Trend decomposition using Loess) decomposition
STL or Seasonal and Trend decomposition using Loess is an iterative algorithm that allows for the breakdown of time series data into three additive components as shown in Figure 2: trend (long-term trend) (Figure 2A), (Figure 2D), (Figure 2G), (Figure 2J), seasonal (cyclic periods) (Figure 2B), (Figure 2E), (Figure 2H), (Figure 2K), and remainder (noise/residual) (Figure 2C), (Figure 2F), (Figure 2I), (Figure 2L). STL has proven to be successful at dealing with the complex non-linear characteristics of environmental data (such as PM2.5) for which many other analytical techniques have failed due to variable amplitudes in the seasonal signal and due to the existence of outliers. LOESS smoothing allows for accurate separation of these components, producing a clearer interpretation of trends or patterns. Through STL processing, it is possible to separate the broader upward PM2.5 trends from the shorter daily/seasonal cycles and from the erratic residuals within those cycles. This separation allows for the identification of what emissions have influenced PM2.5, as opposed to what meteorological factors have influenced PM2.5. The results of this separation assist with accurate forecasting of future PM2.5 emissions; provide data for regulatory decisions; and conform to the standards set out for rigorous disaggregation of time series data for air quality studies34. Average daily PM2.5 concentration measurements taken at monitoring stations in Delhi from 2012–2024 indicate minimal PM2.5 level changes (i.e., no significant change from 2022–24) overall and extremely limited consistent behavior (or consistency in PM2.5 levels among the four monitoring locations). The PM2.5 levels at Dwarka Sector 8 and Mundka-DPCC are showing a persistent downward trend (i.e., continuing to decrease), while Anand Vihar has an increasing trend (i.e., increasing significantly), and Sonia Vihar has a slight upward trend (from a very small increase since 2022). In addition, the residuals of the daily PM2.5 concentrations for each of the four monitoring stations indicated that PM2.5 concentrations were strongly influenced by seasonal (meteorological) changes, which produced large fluctuations in the average daily PM2.5 concentrations for individual stations. Daily PM2.5 concentrations for the Four Monitoring Stations in Delhi (2012–2024) are displayed in Figure 2.

Figure 2: STL (Seasonal and Trend decomposition using Loess) decomposition of daily PM₂.₅ concentrations across four Delhi monitoring stations from 2022–2024. The time series for each monitoring station is decomposed into three additive components: long-term trend, seasonal variation, and residual (remainder). (A) Trend component for Dwarka Sector 8. (B) Seasonal component for Dwarka Sector 8. (C) Residual component for Dwarka Sector 8. (D) Trend component for Anand Vihar. (E) Seasonal component for Anand Vihar. (F) Residual component for Anand Vihar. (G) Trend component for Mundka-DPCC. (H) Seasonal component for Mundka-DPCC. (I) Residual component for Mundka-DPCC. (J) Trend component for Sonia Vihar. (K) Seasonal component for Sonia Vihar. (L) Residual component for Sonia Vihar. STL, Seasonal and Trend decomposition using Loess. Please click here to view a larger version of this figure.
Figure 2 presents the temporal decompositions of daily PM2.5 concentrations at four urban monitoring locations in 2022-2024, revealing patterns of long-term declines, gradual increases, and large diurnal changes. These differences can be largely attributed to the physical effects of weather, i.e., changes in the height of the planetary boundary layer (PBL), such as daytime expansion that increases vertical dispersion and lowers concentrations, and nighttime contraction, leaving pollutants close to the ground and creating a higher peak at night. Other meteorological influences come from local human activity emissions related to their hours of greatest volume (morning/evening peaks), industries, and their interactions with: site-specific factors, such as local topography, wind speed, relative humidity, and season (i.e. greater correlation in the winter) that create the station-specific changes and overall long-term declines may have been influenced by regulatory controls on emissions, leading to downward trends overall.
Correlation between the features
Figure 3 presents the distribution of all input features used in the CORTA-Net model. In panels, pollutant variables (PM10 (Figure 3A), NO₂ (Figure 3B), CO (Figure 3C), SO₂ (Figure 3D)) show right-skewed distributions typical of urban air quality data, while O₃ (Figure 3E) and pressure (Figure 3I) exhibit near-normal patterns35. Temperature (Figure 3F) displays a clear bimodal seasonal structure, humidity (Figure 3G) follows a broad uniform-like spread, and wind speed (Figure 3H) shows a light-tailed distribution. These patterns highlight the heterogeneous statistical behavior of the predictors and justify the need for feature engineering and normalization before model training.

Figure 3: Distribution of input features used in the CORTA-Net model, including air pollutant concentrations and meteorological variables. The distributions illustrate the statistical characteristics of the predictors prior to preprocessing and model training. (A) PM₁₀ concentration. (B) NO₂ concentration. (C) CO concentration. (D) SO₂ concentration. (E) O₃ concentration. (F) Air temperature. (G) Relative humidity. (H) Wind speed. (I) Atmospheric pressure. Pollutant variables, particularly PM₁₀, NO₂, CO, and SO₂, exhibit right-skewed distributions typical of urban air quality data, whereas O₃ and atmospheric pressure show approximately normal distributions. Temperature displays a bimodal seasonal pattern, humidity has a broad distribution, and wind speed is concentrated at lower values with a light-tailed distribution. These heterogeneous feature distributions support the use of feature engineering and normalization before model development. Please click here to view a larger version of this figure.
Figure 4 presents the XGBoost gain-based feature-importance ranking after CorrXGBoost-Rank preprocessing for PM₂.₅ forecasting. The current feature-importance plot shows that Previous Day PM₂.₅ is the highest-ranked predictor with an importance score of 0.280, followed by PM10 = 0.180, FIRECOUNT = 0.150, NO₂ = 0.120, CO = 0.080, wind speed = 0.070, temperature = 0.040, humidity = 0.030, and day of year = 0.020. The dashed vertical line represents the actual XGBoost feature-selection threshold of 0.015. Predictors with importance scores greater than or equal to 0.015 were retained for the final CORTA-Net input set, whereas predictors below this threshold, including SO₂ = 0.010, O₃ = 0.010, pressure = 0.005, rainfall = 0.005, weekend = 0.002, and holiday = 0.001, were excluded. These values represent XGBoost gain-based feature-importance scores and should not be interpreted as Pearson correlation coefficients or causal effects.
Therefore, only the features that received a contribution above this threshold were included in the model. XGBoost models use an ensemble of decision trees, which iteratively build a tree to minimize a loss function, known as gradient boosting. XGBoost calculates the importance of features using one of three metrics: gain (how much the split of the feature improves the model performance), weight (how many times the feature was chosen as a split for a tree), or cover (the number of observations impacted by the split). The XGBoost model was built upon data related to air quality (pollutants, meteorological variables) and has a focus on lagged PM2.5 to auto-regressively forecast PM2.5, which is common in PM2.5 models for Delhi, and helps to capture the temporal persistence of PM2.5. Delhi_PM2.5 is a significant contributor due to the high autocorrelation characteristics of fine particulates, which also point to the presence of an inertia of pollution from the consistent emission sources. Wind Speed is a significant contributor because it provides the mechanism for the dispersion of the pollutants; whereas low winds allow for pollutants to build up during the winter when inversions are present. NO2 is correlated with PM2.5 due to the traffic/emissions, while the day of the year is an indication of the annual emission cycle of pollutants (i.e., lower emissions on the weekend). In Delhi, PM2.5 has a high self-persistence due to the stagnant winter meteorology and continuous emissions from vehicles, industry, and biomass28. Wind aids in the dispersion of aerosols, but weak wind < 2 m/s contributed to an increase in the build-up of PM2.5 due to inversions. The relationship between NO2 and PM2.5 is a result of their common origin (i.e., combustion) and is subjected to temporal influences (e.g., daily vs. weekly)36. The four primary factors responsible for explaining 93% or greater of the variation in AQI are variations in pollutant concentrations from lagged PM2.5 accumulation (93%+) and low wind speeds trapping the emissions, the emissions of NO2/PM from vehicles and industry, and day-to-day variations in the amount of traffic37. In addition, the geography of Delhi is a contributing factor to the persistence of inversions in the area and thus also exacerbates PM2.5 concentrations. Hyper-parameter tuning, regularization, and adding additional variables (such as temperature) would help limit the chances of over-fitting and would improve overall model performance. Implementing operational strategies to reduce PM emissions should include implementing daily limits on PM emissions, using devices that provide real-time monitoring for the presence of PM, and utilizing wind to disperse PM through the urban green space.

Figure 4: XGBoost gain-based feature-importance ranking after CorrXGBoost-Rank feature screening for PM₂.₅ forecasting. The predictor bars are arranged in descending order of importance. The dashed vertical line represents the actual XGBoost feature-selection threshold of 0.015. Predictors with scores ≥ 0.015 were retained for the final CORTA-Net input set, whereas predictors below this threshold were excluded. The ranking is used for feature screening and model-behavior interpretation and should not be interpreted as causal attribution. Please click here to view a larger version of this figure.
CORTA-net model architecture
Figure 5 presents a proposed PM2.5 prediction framework. Supplementary Figures 4 and 5 illustrate the LSTM unit’s internal arrangement and a representation of the Multi-Head Attention block diagram. All data sources (i.e., ambient conditions, meteorological observations, fire activity, and both temporal and contextual aspects of data) underwent pre-processing to ensure that they agree temporally, have any missing data imputed (if necessary), and have been subjected to both outlier removal and normalization before employing them in any of the model-building processes. Model’s architecture, feature engineering, training configuration, data configuration, transfer learning, evaluation metrics, future predictions, and implementation details are shown in Supplementary Table 1. Utilizing the CorrXGBoost-Rank module, the optimal set of features is determined prior to a subset of these being input into the LSTM architecture, which has been enhanced by the incorporation of multi-head attention layers to account for time-series behavior during the modeling phase. Both the PM2.5 forecast and PM2.5 feature importance of the input features, as well as multi-head attention weights as attention maps, were provided as outputs. Internal LSTM unit structure and multi-head attention block diagram have been included as Supplementary Figures 4 and 5, respectively, while Supplementary Table 1 provides the architecture parameters for each layer type within this architecture.

Figure 5: Overall architecture of the CORTA-Net PM₂.₅ forecasting model. An input forecast process includes inputs from air quality indicators, weather indicators, time indicators, and MODIS (Moderate Resolution Imaging Spectroradiometer) fire count indicators. For each of these steps, the algorithm aligned timestamps, handle missing values, filter outliers, normalize data, and engineer features. The final predictors were then selected using the CorrXGBoost-Rank process. Subsequently, the selected features were placed in time-sequence sliding windows and passed through an LSTM (Long Short-Term Memory) encoder using transfer learning. For each feature and time step, the multi-head attention mechanism applies weights before sending the combined output to the final regression dense layer to produce the PM₂.₅ prediction. Please click here to view a larger version of this figure.
Training and evaluation
A sliding-window approach was used to form supervised learning sequences. Training used Adam optimizer and mean squared error loss (Supplementary Table 2). Model performance was evaluated using RMSE and R2 across training, validation, test, and cross-validation partitions. The Model’s architecture, feature engineering, Training Configuration, Data Configuration, Transfer Learning, Evaluation Metrics, Future Predictions, and Implementation Details are tabulated in Supplementary Table 1. Figure 6 represents the training diagnostics for the CORTA-Net PM₂.₅ prediction model. In panels, Figure 6A represents Training and validation loss curves, showing progressive error reduction, with optimal stopping at epoch 106. The evolution of the generalization gap during an evaluation of an over-fit analysis is illustrated by the divergence between validation and training data in Figure 6B. In particular, it shows periods where the divergence exceeds pre-defined limits; this information provides evidence that the learning-rate behavior and loss reduction patterns illustrate the benefits of scheduled learning-rate (LR) decay at critical epochs as a means of enhancing convergence stability as shown in Figure 6C. Collectively, these figures provide a summary of the learning dynamics, generalization capability and recommended training configuration of the model.

Figure 6: Training diagnostics for the CORTA-Net PM₂.₅ prediction model. (A) Training and validation loss curves showing progressive reduction in error during model training, with early stopping at epoch 106 based on validation performance. (B) Generalization gap between training and validation loss across epochs, illustrating the evolution of model generalization and periods of increased divergence indicative of potential overfitting. (C) Learning-rate schedule showing the effect of scheduled learning-rate decay on optimization throughout training. (D) Summary of model convergence behavior, demonstrating stable optimization and the final training configuration selected for the CORTA-Net model. Together, these diagnostics illustrate the model’s dynamics, convergence characteristics, and generalization performance during training. Please click here to view a larger version of this figure.