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Makoto M. Kelp

Publications and source records attributed to Makoto M. Kelp.

3 recordsLinked to original sources

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.

cs.LG↗

A new approach for determining optimal placement of PM2.5 air quality sensors: case study for the contiguous United States

Considerable financial resources are allocated for measuring ambient air pollution in the United States, yet the locations for these monitoring sites may not be optimized to capture the full extent of current pollution variability. Prior research on best sensor placement for monitoring fine particulate matter (PM2.5) pollution is scarce: most studies do not span areas larger than a medium-sized city or examine timescales longer than one week. Here we present a pilot study using multiresolution modal decomposition (mrDMD) to identify the optimal placement of PM2.5 sensors from 2000-2016 over the contiguous United States. This novel approach incorporates the variation of PM2.5 on timescales ranging from one day to over a decade to capture air pollution variability. We find that the mrDMD algorithm identifies high-priority sensor locations in the western United States, but a significantly lower density of sensors than expected along the eastern coast, where a large number of EPA PM2.5 monitors currently reside. Specifically, 53% of mrDMD optimized sensor locations are west of the 100th meridian, compared to only 32% in the current EPA network. The mrDMD sensor locations can capture PM2.5 from wildfires and high pollution events, with particularly high skill in the West. These results suggest significant gaps in the current EPA monitoring network in the San Joaquin Valley in California, northern California, and in the Pacific Northwest (Idaho, and Eastern Washington and Oregon). Our framework diagnoses where to place air quality sensors so that they can best monitor smoke from wildfires. Our framework may also be applied to urban areas for equitable placement of PM2.5 monitors.

stat.AP↗

Orders-of-magnitude speedup in atmospheric chemistry modeling through neural network-based emulation

Chemical transport models (CTMs), which simulate air pollution transport, transformation, and removal, are computationally expensive, largely because of the computational intensity of the chemical mechanisms: systems of coupled differential equations representing atmospheric chemistry. Here we investigate the potential for machine learning to reproduce the behavior of a chemical mechanism, yet with reduced computational expense. We create a 17-layer residual multi-target regression neural network to emulate the Carbon Bond Mechanism Z (CBM-Z) gas-phase chemical mechanism. We train the network to match CBM-Z predictions of changes in concentrations of 77 chemical species after one hour, given a range of chemical and meteorological input conditions, which it is able to do with root-mean-square error (RMSE) of less than 1.97 ppb (median RMSE = 0.02 ppb), while achieving a 250x computational speedup. An additional 17x speedup (total 4250x speedup) is achieved by running the neural network on a graphics-processing unit (GPU). The neural network is able to reproduce the emergent behavior of the chemical system over diurnal cycles using Euler integration, but additional work is needed to constrain the propagation of errors as simulation time progresses.

physics.ao-ph↗