End-to-End Probabilistic Framework for Learning with Hard Constraints

원문 초록

We present a general purpose probabilistic forecasting framework, ProbHardE2E, to learn systems that can incorporate operational/physical constraints as hard requirements. ProbHardE2E enforces hard constraints by exploiting variance information in a novel way; and thus it is also capable of performing uncertainty quantification (UQ) on the model. Our methodology uses a novel differentiable probabilistic projection layer (DPPL) that can be combined with a wide range of neural network architectures. This DPPL allows the model to learn the system in an end-to-end manner, compared to other approaches where the constraints are satisfied either through a post-processing step or at inference. In addition, ProbHardE2E can optimize a strictly proper scoring rule, without making any distributional assumptions on the target, which enables it to obtain robust distributional estimates (in contrast to existing approaches that generally optimize likelihood-based objectives, which are heavily biased by their distributional assumptions and model choices); and it can incorporate a range of non-linear constraints (increasing the power of modeling and flexibility). We apply ProbHardE2E to problems in learning partial differential equations with uncertainty estimates and to probabilistic time-series forecasting, showcasing it as a broadly applicable general setup that connects these seemingly disparate domains.