Abstract:Reduced-order models (ROMs) can efficiently simulate high-dimensional physical systems, but lack robust uncertainty quantification methods. Existing approaches are frequently architecture- or training-specific, which limits flexibility and generalization. We introduce a post hoc, model-agnostic framework for predictive uncertainty quantification in latent space ROMs that requires no modification to the underlying architecture or training procedure. Using conformal prediction, our approach estimates statistical prediction intervals for multiple components of the ROM pipeline: latent dynamics, reconstruction, and end-to-end predictions. We demonstrate the method on a latent space dynamical model for cloud microphysics, where it accurately predicts the evolution of droplet-size distributions and quantifies uncertainty across the ROM pipeline.




Abstract:Industrial accidents, chemical spills, and structural fires can release large amounts of harmful materials that disperse into urban atmospheres and impact populated areas. Computer models are typically used to predict the transport of toxic plumes by solving fluid dynamical equations. However, these models can be computationally expensive due to the need for many grid cells to simulate turbulent flow and resolve individual buildings and streets. In emergency response situations, alternative methods are needed that can run quickly and adequately capture important spatiotemporal features. Here, we present a novel deep learning model called ST-GasNet that was inspired by the mathematical equations that govern the behavior of plumes as they disperse through the atmosphere. ST-GasNet learns the spatiotemporal dependencies from a limited set of temporal sequences of ground-level toxic urban plumes generated by a high-resolution large eddy simulation model. On independent sequences, ST-GasNet accurately predicts the late-time spatiotemporal evolution, given the early-time behavior as an input, even for cases when a building splits a large plume into smaller plumes. By incorporating large-scale wind boundary condition information, ST-GasNet achieves a prediction accuracy of at least 90% on test data for the entire prediction period.