Leveraging Remote Traffic Data for Local Air Pollutant Estimation: A Scenario-Based Machine Learning Study Across London Monitoring Sites

Vehicular traffic is a major source of air pollution; however, the contribution of remotely acquired traffic information to local machine-learning (ML) air-pollution models remains insufficiently characterised. This study evaluates four interpretable tree-based ML models (Random Forest, Extra Trees, LightGBM, and XGBoost) under six predictor scenarios combining progressively larger predictor sets, ranging from remotely acquired traffic, meteorological, and temporal variables alone to the inclusion of measurements from one and four neighbouring monitoring stations, to estimate NO$_2$, PM$_{10}$, PM$_{2.5}$, and O$_3$ concentrations across several sites in London. ML model performance was compared with a ridge linear regression model as a baseline, with spatial interpolation methods and with a cross-site validation experiment. When modelling without data from neighbouring stations, the RMSE for NO$_2$ ranged from 9.73 to 11.66 $μ$g/m$^3$ without traffic information, compared with 8.72 to 11.52 $μ$g/m$^3$ when traffic information was included. Additionally, for NO$_2$, SHAP analyses indicate that traffic-related variables can contribute at levels comparable to pollutant measurements from neighbouring monitoring stations in traffic-dominated~environments.

Shift Aware Transfer Learning with Adaptive Dual-Encoder Fusion for PM Forecasting in Data-Limited Environments

Short-horizon forecasting of fine particulate matter (PM2.5) remains difficult when observations from the target domain are limited and the statistical properties of the source and target domains differ. In these settings, models trained only on local data may not capture complex temporal dynamics, while direct transfer learning can result in negative transfer. This study develops a shift-aware dual-encoder transfer framework that combines source-domain knowledge with target-specific representation learning. The source encoder was pretrained using hourly observations from 10 U.S. monitoring locations. The framework was then adapted and evaluated using two years of hourly observations from 77 stations in Taiwan under a chronological train-validation-test protocol. Among the four principal baselines, the frozen-source dual-encoder model achieved the best performance, with MSE = 21.8960, MAE = 3.1597, and R^2 = 0.8725. This corresponds to an MSE reduction of approximately 7.1% relative to TL-v1 and 4.1% relative to TL-v2. The ablation analysis showed that removing the Taiwan-specific branch caused the largest decline in performance. Allowing the source encoder to adapt produced the best overall result, with MSE = 21.6575, MAE = 3.1383, and R^2 = 0.8739. SHAP analysis indicated that predictions were driven mainly by recent PM2.5 observations and meteorological variables related to pollutant transport and dispersion. These results suggest that source-domain knowledge is most effective when target-specific information is preserved and the transferred representation is allowed to adapt under target supervision.

Air Quality Station Simulation via LSTM and Attention-Based Modelling

Poor air quality in urban areas is driven by a complex chain of processes and presents a significant public health concern. To better understand and control the mechanisms that determine air quality, cities deploy networks of measurement stations, and launch initiatives for collecting denser data about the concentration of pollutants in the atmosphere. Extracting insights from the stations relies on their reliable and uninterrupted operation. However, hardware is susceptible to faults and black- outs that may result in data unavailability, which affects the overall quality of analyses. In this paper, we present a deep-learning model, called SATADL, which can infer complex relations and output multiple-hour-ahead air-quality forecasts. The goal of the model is to simulate the mea- surements of an unresponsive station until its operation is restored. The architecture of the model, which allows it to extract information from different aspects of the data, is described in detail and a careful examination of all of its components is provided. We demonstrate the performance of SATADL on four sets of air quality stations from around the world, by using it to simulate the concentration of PM10 for periods of hypothetical failures of one of the measurement stations, lasting for as long as 48 hours. A selection of baseline and published deep learning models were trained and used as a benchmark. The results show that SATADL per- forms better across different prediction windows, for both coefficient of determination and root mean squared error, demonstrating its suitability as a virtual proxy station.

From Deterministic to Generative Deep Learning for Urban Air Quality Reconstruction from Sparse Observations

Full-field reconstruction of air pollution is essential for evaluating pollution exposure and supporting public health decision-making. However, the complex interactions among pollutants, hard-to-predict weather patterns, and limited monitoring station coverage make this a complex task. We apply deep learning techniques to provide fast and accurate reconstructions from sparse observations of four key pollutants: NO2, O3, PM2.5 and PM10. Models are trained on full-field simulation data and evaluated on real-world observations collected from 9 to 28 monitoring stations in the city of Paris. We introduce a diffusion-based generative framework for multi-pollutant reconstruction and benchmark its performance against deterministic deep learning models. Despite noisy observations and strong spatial variability, the models achieve high structural similarity on simulated validation data and produce realistic spatial patterns on real-world observations, as indicated by power-spectrum analysis. We introduce data augmentation methods that enable transfer to real-world observations without retraining, allowing the models to generalise beyond the training period. These findings highlight the potential of ML models for reliable real-world deployment in air pollution reconstruction tasks.

Identifiability-Aware Source Apportionment in City-Scale Advection-Diffusion Systems

Source apportionment from sparse urban air-quality sensors is an inverse problem limited by sensor placement, wind-driven transport, background variation, and noise. Known or proxy emission inventories make attribution meaningful by restricting the unknown source field to a finite set of candidate groups, but do not guarantee those groups are distinguishable from the observations. We represent time-varying source activity with a low-dimensional nonnegative temporal basis and formulate inventory-based apportionment as a wind-conditioned lagged inverse problem in which each source--basis coefficient produces a sensor-time fingerprint. After projecting out a separate low-dimensional background space, the relevant object is the projected lagged response matrix $\widetilde H_Φ$: exact identifiability at the chosen basis resolution requires its full column rank, while noise-robust attribution is controlled by its singular values, coefficient visibility, background absorption, pairwise coherence, and ray distance. We propose an identifiability-aware apportionment (IASA) framework that estimates nonnegative source--basis coefficients, reconstructs activity trajectories, and reports uncertainty and conservative grouping recommendations for indistinguishable sources. We instantiate it on a New Delhi platform built from government PM$_{2.5}$ and wind records, regulatory sensor locations, and four proxy source groups, and define controlled and observed evaluations of recovery, ambiguity, wind diversity, background stress, transport error, inventory robustness, and residual adequacy. IASA reports the attribution resolution defensible under the declared inventories, transport, background, lag, and noise rather than the most detailed possible vector.

Toward Mechanistic Interpretability of an AI Foundation Model Fine-Tuned for Atmospheric Chemistry

Weather forecasting foundation models (FMs) are increasingly fine-tuned to predict air quality, offering fast global pollution forecasts at lower computational cost than conventional chemical transport models. These FMs are typically trained on reanalysis data and generate forecasts through autoregressive rollout. They do not explicitly represent governing physical or chemical processes. Therefore, high forecast skill does not reveal whether a model has learned physical mechanisms or exploits statistical regularities in its training data. Here, we present the first study of what a FM fine-tuned for atmospheric chemistry has learned by examining Microsoft's Aurora model. We impose controlled chemical perturbations on its forecasts and test them against known photochemical relationships. We then examine the internal representations that generate these forecasts. We find that Aurora captures a first-order ozone response to reactive nitrogen but does not enforce the chemical constraints that a process-based model encodes. It generates chemically inconsistent combinations of related species and relaxes localized emission features such as wildfire plumes toward background. Internally, its representations remain largely organized around the meteorology inherited during pretraining, with little structure specific to chemistry. Using sparse autoencoders, we identify internal components that causally control the chemical forecast but do not map cleanly onto individual atmospheric processes. This work provides a framework for testing whether AI forecasting systems learn atmospheric chemistry from reanalysis data. As these models are increasingly positioned to inform environmental policy decisions, we argue that composition forecasts should also be judged by their internal mechanisms rather than by benchmark skill alone.

Air Quality Downscaling with Station-Guided Pseudo-Supervision

Super-resolving coarse atmospheric fields to local PM$_{2.5}$ variations is uniquely challenged by a mismatch in spatial support: while pixels represent regional averages, ground-truth observations are discrete, unaligned samples of a continuous spatial signal. To bridge this gap, we present a station-guided framework for high-resolution PM$_{2.5}$ downscaling over Europe. Taking coarse CAMS atmospheric composition fields alongside heterogeneous side information (i.e., human activity, land cover, elevation, satellite aerosol observations, and wind fields) our framework jointly super-resolves ($\times 40$, $\approx$ 1 km) and bias-corrects CAMS rasters, without relying on temporal sequence modelling. To address the challenge of densely supervising our multi-scale transformer network with sparse in-situ data, we introduce a time-agnostic propagation strategy that utilises spatial Gaussian blending of interpolated OpenAQ observations. Extensive qualitative and station-level evaluations across Europe demonstrate that our model recovers fine-grained spatial structures and effectively mitigates localised CAMS biases.

Low-Cost High-Order Singular Value Decomposition for Tensor-Based Reconstruction from Sparse Sensor Measurements: Urban Flow and Air-Quality Applications

Urban flow and air-quality simulations generate high-dimensional datasets describing velocity and pollutant transport across multiple spatial, temporal, and physical-variable dimensions. Reconstructing these fields from sparse sensor measurements is a fundamental challenge in environmental monitoring, digital twins, forecasting, and data assimilation. Existing low-cost reconstruction approaches are commonly based on matrix decompositions, which require multidimensional datasets to be flattened into two-dimensional snapshot matrices, thereby discarding important structural information. This work introduces the low-cost High-Order Singular Value Decomposition (lcHOSVD), a novel tensor-based sparse-sensing reconstruction framework for high-dimensional environmental fields. To the authors' knowledge, this is the first methodology that combines sparse sensing and HOSVD for field reconstruction. Unlike matrix-based approaches, lcHOSVD preserves the natural tensor structure of the data, enabling the exploitation of correlations across spatial, temporal, and physical-variable dimensions while substantially reducing the computational requirements of conventional HOSVD. The methodology is applied to urban flow and air-quality datasets, where three-dimensional velocity and pollutant concentration fields are reconstructed using only 1-4% of the available spatial locations. While lcSVD provides larger computational speed-ups, lcHOSVD consistently achieves lower reconstruction errors in configurations characterized by strong multidimensional coupling and heterogeneous dynamics across dimensions. Additional sensor-anisotropy analyses demonstrate that the tensor formulation is significantly more robust to uneven sensor distributions, a common situation in practical environmental monitoring networks.

MVG-KAN: Multi-View Geo-Wind Guided KAN for PM$_{2.5}$ Forecasting

Accurate short-term PM$_{2.5}$ forecasting is important for public health protection, air-quality early warning, and urban environmental management. However, PM$_{2.5}$ variation is driven by multiple coupled factors, including stable periodic changes induced by human activities and meteorological regularity, station-specific short-term concentration evolution, and meteorology-driven pollutant dispersion among monitoring stations. Existing spatio-temporal forecasting methods may capture station relationships to some extent, but distance-only, correlation-based, or purely adaptive graphs are often insufficient to comprehensively represent these heterogeneous factors, especially wind-direction-dependent pollutant transport. To address this problem, we propose a Multi-View Geo-Wind Guided KAN model for PM$_{2.5}$ forecasting, named \textbf{MVG-KAN}, which models station-level PM$_{2.5}$ evolution from three complementary views: local periodic regularity, station-wise residual temporal dynamics, and meteorological-environment-guided spatial dispersion. Specifically, the periodic-residual forecasting backbone first separates stable daily and weekly patterns from non-periodic residual variations. A Geo-Wind Graph is constructed by combining geographic distance decay with wind-direction- and wind-speed-aware transport, providing a lightweight physically motivated directed spatial prior for residual propagation among stations. In addition, a temporal Kolmogorov-Arnold network (TKAN) residual head is then introduced to learn station-wise nonlinear autoregressive correction from de-periodized PM$_{2.5}$ residuals and historical multi-pollutant sequences, thereby enhancing the modeling of local residual inertia and pollutant co-variation.

Spatiotemporal Imputation with Graph-Informed Flow Matching

Missing data is a common challenge in spatiotemporal systems, arising in applications such as air quality monitoring and urban traffic management. Traditional machine learning approaches, like recurrent and graph neural networks, rely on iterative propagation, which tends to accumulate errors over time and space. Recent diffusion-based methods mitigate error propagation but require iterative sampling and often depend on problem-agnostic Gaussian priors, limiting both efficiency and effectiveness. To address these limitations, we propose GiFlow, a Graph-Informed Flow Matching framework for spatiotemporal imputation. GiFlow replaces the typical Gaussian prior with a graph-informed prior constructed via spatiotemporal filtering of observable signals, which better aligns the source distribution to the target and thereby simplifies the generation trajectory. The flow field is parameterized by a hybrid vector field model that integrates spatial attention, temporal attention, and spatiotemporal propagation, enabling joint modeling of spatial and temporal dependencies. Extensive experiments on both synthetic and real-world datasets demonstrate that the proposed GiFlow outperforms the state-of-the-art approaches in spatiotemporal imputation. The code is available at https://github.com/zepengzhang/GiFlow.