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byAK and the research community

Sep 15

Atmospheric Transport Modeling of CO$_2$ with Neural Networks

Accurately describing the distribution of CO_2 in the atmosphere with atmospheric tracer transport models is essential for greenhouse gas monitoring and verification support systems to aid implementation of international climate agreements. Large deep neural networks are poised to revolutionize weather prediction, which requires 3D modeling of the atmosphere. While similar in this regard, atmospheric transport modeling is subject to new challenges. Both, stable predictions for longer time horizons and mass conservation throughout need to be achieved, while IO plays a larger role compared to computational costs. In this study we explore four different deep neural networks (UNet, GraphCast, Spherical Fourier Neural Operator and SwinTransformer) which have proven as state-of-the-art in weather prediction to assess their usefulness for atmospheric tracer transport modeling. For this, we assemble the CarbonBench dataset, a systematic benchmark tailored for machine learning emulators of Eulerian atmospheric transport. Through architectural adjustments, we decouple the performance of our emulators from the distribution shift caused by a steady rise in atmospheric CO_2. More specifically, we center CO_2 input fields to zero mean and then use an explicit flux scheme and a mass fixer to assure mass balance. This design enables stable and mass conserving transport for over 6 months with all four neural network architectures. In our study, the SwinTransformer displays particularly strong emulation skill (90-day R^2 > 0.99), with physically plausible emulation even for forward runs of multiple years. This work paves the way forward towards high resolution forward and inverse modeling of inert trace gases with neural networks.

PuYun: Medium-Range Global Weather Forecasting Using Large Kernel Attention Convolutional Networks

Accurate weather forecasting is essential for understanding and mitigating weather-related impacts. In this paper, we present PuYun, an autoregressive cascade model that leverages large kernel attention convolutional networks. The model's design inherently supports extended weather prediction horizons while broadening the effective receptive field. The integration of large kernel attention mechanisms within the convolutional layers enhances the model's capacity to capture fine-grained spatial details, thereby improving its predictive accuracy for meteorological phenomena. We introduce PuYun, comprising PuYun-Short for 0-5 day forecasts and PuYun-Medium for 5-10 day predictions. This approach enhances the accuracy of 10-day weather forecasting. Through evaluation, we demonstrate that PuYun-Short alone surpasses the performance of both GraphCast and FuXi-Short in generating accurate 10-day forecasts. Specifically, on the 10th day, PuYun-Short reduces the RMSE for Z500 to 720 m^2/s^2, compared to 732 m^2/s^2 for GraphCast and 740 m^2/s^2 for FuXi-Short. Additionally, the RMSE for T2M is reduced to 2.60 K, compared to 2.63 K for GraphCast and 2.65 K for FuXi-Short. Furthermore, when employing a cascaded approach by integrating PuYun-Short and PuYun-Medium, our method achieves superior results compared to the combined performance of FuXi-Short and FuXi-Medium. On the 10th day, the RMSE for Z500 is further reduced to 638 m^2/s^2, compared to 641 m^2/s^2 for FuXi. These findings underscore the effectiveness of our model ensemble in advancing medium-range weather prediction. Our training code and model will be open-sourced.

ChaosBench: A Multi-Channel, Physics-Based Benchmark for Subseasonal-to-Seasonal Climate Prediction

Accurate prediction of climate in the subseasonal-to-seasonal scale is crucial for disaster readiness, reduced economic risk, and improved policy-making amidst climate change. Yet, S2S prediction remains challenging due to the chaotic nature of the system. At present, existing benchmarks for weather and climate applications, tend to (1) have shorter forecasting range of up-to 14 days, (2) do not include a wide range of operational baseline forecasts, and (3) lack physics-based constraints for explainability. Thus, we propose ChaosBench, a large-scale, multi-channel, physics-based benchmark for S2S prediction. ChaosBench has over 460K frames of real-world observations and simulations, each with 60 variable-channels and spanning for up-to 45 years. We also propose several physics-based, in addition to vision-based metrics, that enables for a more physically-consistent model. Furthermore, we include a diverse set of physics-based forecasts from 4 national weather agencies as baselines to our data-driven counterpart. We establish two tasks that vary in complexity: full and sparse dynamics prediction. Our benchmark is one of the first to perform large-scale evaluation on existing models including PanguWeather, FourCastNetV2, GraphCast, and ClimaX, and finds methods originally developed for weather-scale applications fails on S2S task. We release our benchmark code and datasets at https://leap-stc.github.io/ChaosBench.

GraphMaster: Automated Graph Synthesis via LLM Agents in Data-Limited Environments

The era of foundation models has revolutionized AI research, yet Graph Foundation Models (GFMs) remain constrained by the scarcity of large-scale graph corpora. Traditional graph data synthesis techniques primarily focus on simplistic structural operations, lacking the capacity to generate semantically rich nodes with meaningful textual attributes: a critical limitation for real-world applications. While large language models (LLMs) demonstrate exceptional text generation capabilities, their direct application to graph synthesis is impeded by context window limitations, hallucination phenomena, and structural consistency challenges. To address these issues, we introduce GraphMaster, the first multi-agent framework specifically designed for graph data synthesis in data-limited environments. GraphMaster orchestrates four specialized LLM agents (Manager, Perception, Enhancement, and Evaluation) that collaboratively optimize the synthesis process through iterative refinement, ensuring both semantic coherence and structural integrity. To rigorously evaluate our approach, we create new data-limited "Sub" variants of six standard graph benchmarks, specifically designed to test synthesis capabilities under realistic constraints. Additionally, we develop a novel interpretability assessment framework that combines human evaluation with a principled Grassmannian manifold-based analysis, providing both qualitative and quantitative measures of semantic coherence. Experimental results demonstrate that GraphMaster significantly outperforms traditional synthesis methods across multiple datasets, establishing a strong foundation for advancing GFMs in data-scarce environments.