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AbstractAtmospheric chemistry models—components in models that simulate air pollution and climate change—are computationally expensive. Previous studies have shown that machine‐learned atmospheric chemical solvers can be orders of magnitude faster than traditional integration methods but tend to suffer from numerical instability. Here, we present a modeling framework that reduces error accumulation compared to previous work while maintaining computational efficiency. Our approach is novel in that it (1) uses a recurrent training regime that results in extended (>1 week) simulations without exponential error accumulation and (2) can reversibly compress the number of modeled chemical species by >80% without further decreasing accuracy. We observe an ~260× speedup (~1,900× with specialized hardware) compared to the traditional solver. We use random initial conditions in training to promote general applicability across a wide range of atmospheric conditions. For ozone (concentrations ranging from 0–70 ppb), our model predictions over a 24‐hr simulation period match those of the reference solver with median error of 2.7 and <19 ppb error across 99% of simulations initialized with random noise. Error can be significantly higher in the remaining 1% of simulations, which include extreme concentration fluctuations simulated by the reference model. Results are similar for total particulate matter (median error of 16 and <32 μg/m3 across 99% of simulations with concentrations ranging from 0–150 μg/m3). Finally, we discuss practical implications of our modeling framework and next steps for improvements. The machine learning models described here are not yet replacements for traditional chemistry solvers but represent a step toward that goal.
bepress|Physical Sciences and Mathematics, Artificial Intelligence and Robotics, EarthArXiv|Physical Sciences and Mathematics|Environmental Sciences, bepress|Physical Sciences and Mathematics|Earth Sciences, EarthArXiv|Physical Sciences and Mathematics|Earth Sciences, EarthArXiv|Physical Sciences and Mathematics|Chemistry|Environmental Chemistry, Physical Sciences and Mathematics, Environmental Chemistry, EarthArXiv|Physical Sciences and Mathematics|Chemistry, bepress|Physical Sciences and Mathematics|Environmental Sciences, bepress|Physical Sciences and Mathematics|Chemistry, bepress|Physical Sciences and Mathematics|Computer Sciences|Artificial Intelligence and Robotics, bepress|Physical Sciences and Mathematics|Chemistry|Environmental Chemistry, Computer Sciences, EarthArXiv|Physical Sciences and Mathematics|Computer Sciences|Artificial Intelligence and Robotics, bepress|Physical Sciences and Mathematics|Computer Sciences, EarthArXiv|Physical Sciences and Mathematics|Computer Sciences, EarthArXiv|Physical Sciences and Mathematics, Chemistry, Earth Sciences, Environmental Sciences, machine learning, atmospheric chemical mechanism, model emulation, surrogate model
bepress|Physical Sciences and Mathematics, Artificial Intelligence and Robotics, EarthArXiv|Physical Sciences and Mathematics|Environmental Sciences, bepress|Physical Sciences and Mathematics|Earth Sciences, EarthArXiv|Physical Sciences and Mathematics|Earth Sciences, EarthArXiv|Physical Sciences and Mathematics|Chemistry|Environmental Chemistry, Physical Sciences and Mathematics, Environmental Chemistry, EarthArXiv|Physical Sciences and Mathematics|Chemistry, bepress|Physical Sciences and Mathematics|Environmental Sciences, bepress|Physical Sciences and Mathematics|Chemistry, bepress|Physical Sciences and Mathematics|Computer Sciences|Artificial Intelligence and Robotics, bepress|Physical Sciences and Mathematics|Chemistry|Environmental Chemistry, Computer Sciences, EarthArXiv|Physical Sciences and Mathematics|Computer Sciences|Artificial Intelligence and Robotics, bepress|Physical Sciences and Mathematics|Computer Sciences, EarthArXiv|Physical Sciences and Mathematics|Computer Sciences, EarthArXiv|Physical Sciences and Mathematics, Chemistry, Earth Sciences, Environmental Sciences, machine learning, atmospheric chemical mechanism, model emulation, surrogate model
citations This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | 31 | |
popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network. | Top 10% | |
influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | Top 10% | |
impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network. | Top 10% |
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