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Scalable Uncertainty Quantification for Deep Operator Networks using Randomized Priors

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arxiv 2203.03048 v1 pith:KYNE7UJE submitted 2022-03-06 cs.LG stat.ML

Scalable Uncertainty Quantification for Deep Operator Networks using Randomized Priors

classification cs.LG stat.ML
keywords uncertaintyapproachdeeponetslargequantificationaccelerateddata-setsdeep
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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We present a simple and effective approach for posterior uncertainty quantification in deep operator networks (DeepONets); an emerging paradigm for supervised learning in function spaces. We adopt a frequentist approach based on randomized prior ensembles, and put forth an efficient vectorized implementation for fast parallel inference on accelerated hardware. Through a collection of representative examples in computational mechanics and climate modeling, we show that the merits of the proposed approach are fourfold. (1) It can provide more robust and accurate predictions when compared against deterministic DeepONets. (2) It shows great capability in providing reliable uncertainty estimates on scarce data-sets with multi-scale function pairs. (3) It can effectively detect out-of-distribution and adversarial examples. (4) It can seamlessly quantify uncertainty due to model bias, as well as noise corruption in the data. Finally, we provide an optimized JAX library called {\em UQDeepONet} that can accommodate large model architectures, large ensemble sizes, as well as large data-sets with excellent parallel performance on accelerated hardware, thereby enabling uncertainty quantification for DeepONets in realistic large-scale applications.

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