Mini-minimax uncertainty quantification for emulators
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Abstract: Consider approximating a "black box" function by an emulator based on noiseless observations of . Let be a point in the domain of . How big might the error be? If could be arbitrarily rough, this error could be arbitrarily large: we need some constraint on besides the data. Suppose is Lipschitz with known constant. We find a lower bound on the number of observations required to ensure that for the best emulator based on the data, . But in general, we will not know whether is Lipschitz, much less know its Lipschitz constant. Assume optimistically that is Lipschitz-continuous with the smallest constant consistent with the data. We find the maximum (over such regular ) of for the best possible emulator ; we call this the "mini-minimax uncertainty" at . In reality, might not be Lipschitz or---if it is---it might not attain its Lipschitz constant on the data. Hence, the mini-minimax uncertainty at could be much smaller than . But if the mini-minimax uncertainty is large, then---even if satisfies the optimistic regularity assumption--- could be large, no matter how cleverly we choose . For the Community Atmosphere Model, the maximum (over ) of the mini-minimax uncertainty based on a set of 1154~observations of is no smaller than it would be for a single observation of at the centroid of the 21-dimensional parameter space. We also find lower confidence bounds for quantiles of the mini-minimax uncertainty and its mean over the domain of . For the Community Atmosphere Model, these lower confidence bounds are an appreciable fraction of the maximum.
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