Split Conformal Prediction in the Function Space with Neural Operators
This addresses the open problem of reliable uncertainty quantification for function-valued outputs in machine learning, offering a method with theoretical guarantees and practical improvements over existing approaches.
The paper tackles uncertainty quantification for neural operators in infinite-dimensional function spaces by extending split conformal prediction to provide finite-sample coverage guarantees, achieving calibrated coverage with less variation under resolution shifts and better performance in super-resolution tasks.
Uncertainty quantification for neural operators remains an open problem in the infinite-dimensional setting due to the lack of finite-sample coverage guarantees over functional outputs. While conformal prediction offers finite-sample guarantees in finite-dimensional spaces, it does not directly extend to function-valued outputs. Existing approaches (Gaussian processes, Bayesian neural networks, and quantile-based operators) require strong distributional assumptions or yield conservative coverage. This work extends split conformal prediction to function spaces following a two step method. We first establish finite-sample coverage guarantees in a finite-dimensional space using a discretization map in the output function space. Then these guarantees are lifted to the function-space by considering the asymptotic convergence as the discretization is refined. To characterize the effect of resolution, we decompose the conformal radius into discretization, calibration, and misspecification components. This decomposition motivates a regression-based correction to transfer calibration across resolutions. Additionally, we propose two diagnostic metrics (conformal ensemble score and internal agreement) to quantify forecast degradation in autoregressive settings. Empirical results show that our method maintains calibrated coverage with less variation under resolution shifts and achieves better coverage in super-resolution tasks.