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Operational and Diagnostic Assessment of Air Quality Models

The evaluation of complex geophysical models, such as large scale Eulerian acid deposition models and regional photochemical models, involves a variety of tasks, including sensitivity studies, diagnostic testing, mechanistic testing, and operational evaluation (Dennis et al., 1990). It is computationally infeasible to simulate these complex models repeatedly to utilize the types of procedures just discussed, so there is a considerable emphasis on operational evaluation, the process of comparing model predictions against environmental monitoring data. (We note, however, recent developments in ``automatic differentiation'' of large scale models for sensitivity analysis; Hwang, et al., 1997.) There are two primary elements to our proposed methodology.

  1. Repeatedly, the literature on model evaluation notes two particular problems: the difficulty of comparing spatial point observations from monitoring networks with spatial averages from grid-based air quality models, and the need to assess better the ability of a model to simulate the spatial (and temporal) patterns of pollutant concentrations (see Seinfeld, 1988, Schere, 1988, Dennis et al, 1990). Given realistic spatio-temporal models of the dynamic variation for the quantities of interest, we can estimate areal (grid cell) averages from point source data (block kriging in the kriging/geostatistics literature; Journel and Huijbregts, 1978; Cressie, 1991; Meiring, 1995). This approach is operationally inverse to the currently recommended EPA procedure (EPA 1994), which mandates a linear combination of neighboring model grid cell values to compare to a monitoring point observation. Because of the smoothing involved in calculating grid cell averages, it is fundamentally impossible to use the model output to determine values that are (stochastically) comparable to point observations.

  2. Numerical summaries of comparisons between grid cell model predictions and point monitoring data can be insufficient for model assessment, and possibly even misleading, particularly when the model has been tweaked to match monitoring data. Far more diagnostic information is available through consideration of the multivariate nature of the modeled and observed spatial fields and through consideration of the second order properties of these fields (cf. Barchet and Dennis, 1995). More specifically, we propose to compare estimated spatio-temporal correlation structures for field monitoring data and for gridded model output, as well as the cross-correlation structure between pairs of species (e.g. ozone, NO, NO).

The calculations just discussed for the operational assessment of model predictions rely on spatio-temporal modeling, and in particular, a spatio-temporal correlation model. Estimation of such a model is based on residuals from estimated long-term (hourly) means or ``trends'' that vary in space and at various temporal scales. Methods for the estimation of both the spatio-temporal correlation structure and the spatio-temporal trends are discussed in the following.




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