AeroChem: Closed-loop Physics-Informed State Space Modeling for Long-term Chemically-Reactive Air Quality Forecasting--Extended Version

Accurate air quality forecasting is crucial for protecting public health and guiding environmental policy, yet it remains challenging due to nonlinear spatiotemporal dynamics, wind-driven transport, and distribution shifts across regions. Physics-based models are interpretable but computationally expensive and often rely on restrictive assumptions, whereas purely data-driven models can be accurate but may lack robustness and calibrated uncertainty. To address these limitations, we propose Neural Dynamic Diffusion-Advection Fields (NeuroDDAF), a physics-informed forecasting framework that unifies neural representation learning with open-system transport modeling. NeuroDDAF integrates (i) a GRU-Graph Attention encoder to capture temporal dynamics and wind-aware spatial interactions, (ii) a Fourier-domain diffusion-advection module with learnable residuals, (iii) a wind-modulated latent Neural ODE to model continuous-time evolution under time-varying connectivity, and (iv) an evidential fusion mechanism that adaptively combines physics-guided and neural forecasts while quantifying uncertainty. Experiments on four urban datasets (Beijing, Shenzhen, Tianjin, and Ancona) across 1-3 day horizons show that NeuroDDAF consistently outperforms strong baselines, including AirPhyNet, achieving up to 9.7% reduction in RMSE and 9.4% reduction in MAE on long-term forecasts. On the Beijing dataset, NeuroDDAF attains an RMSE of 41.63 $μ$g/m$^3$ for 1-day prediction and 48.88 $μ$g/m$^3$ for 3-day prediction, representing the best performance among all compared methods. In addition, NeuroDDAF improves cross-city generalization and yields well-calibrated uncertainty estimates, as confirmed by ensemble variance analysis and case studies under varying wind conditions.

Accurate air quality forecasting is essential for public health and urban environmental management, but remains challenging because pollutant channels differ in periodicity and distribution drift, while their concentration trajectories contain both multi-scale dependencies and rapid changes. Recent methods have improved spatial dependency learning and meteorological covariate modeling. However, pollutant channels are still passed through the same normalization rule and temporal backbone, using a shared latent representation for channel-specific distributions and changes at different rates. To address this limitation, we propose AirFlow, a pollutant-aware dual-stream framework that operates on station multivariate observations without additional graph propagation or predefined signal decomposition. Specifically, AirFlow designs two novel blocks: (1) a statistic-guided normalization routing mechanism that selects a normalization path for each pollutant according to its 24-hour autocorrelation and distribution drift; and (2) a hierarchical dual-stream state model that combines multi-scale state space propagation with learnable response coefficients, where gated bidirectional cross-attention exchanges information and adaptively fuses the resulting representations. Experiments on real-world data from multiple cities show that AirFlow achieves the best performance in 34 of 36 metrics comparisons, with reductions of up to 11.11% root mean square error over the state-of-the-art baseline. AirFlow also requires only 0.0483M parameters and 0.0215G FLOPs, achieving high forecasting accuracy with low computational overhead.

Accurate air quality forecasting is essential for public health and environmental sustainability, but remains challenging due to the complex pollutant dynamics. Existing deep learning methods often model pollutant dynamics as an instantaneous process, overlooking the intrinsic delays in pollutant propagation. Thus, we propose AirDDE, the first neural delay differential equation framework in this task that integrates delay modeling into a continuous-time pollutant evolution under physical guidance. Specifically, two novel components are introduced: (1) a memory-augmented attention module that retrieves globally and locally historical features, which can adaptively capture delay effects modulated by multifactor data; and (2) a physics-guided delay evolving function, grounded in the diffusion-advection equation, that models diffusion, delayed advection, and source/sink terms, which can capture delay-aware pollutant accumulation patterns with physical plausibility. Extensive experiments on three real-world datasets demonstrate that AirDDE achieves the state-of-the-art forecasting performance with an average MAE reduction of 8.79% over the best baselines. The code is available at https://github.com/w2obin/airdde-aaai.