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This research introduces Adaptive Conformal Prediction using Nearest Neighbors (ACPNN) to address uncertainty quantification in image-based scientific machine learning models. By leveraging local neighborhood structures via Gaussian Processes, the method provides input-dependent reliability estimates crucial for high-stakes applications like inertial confinement fusion emulation. The approach offers a computationally efficient pathway to validate black-box diffusion models where point estimates alone are insufficient for decision-making.
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Adaptive Conformal Prediction for Image Regression Models with Application to an Inertial Confinement Fusion Emulator

arXiv2 min read

arXiv:2610.00535v1 Announce Type: cross Abstract: Uncertainty quantification is critical in scientific machine learning, where black-box, image-based models are increasingly deployed in high-stakes settings. In many such applications, model outputs inform costly decisions, yet most methods provide only point estimates without quantifying predictive uncertainty. This challenge is compounded by the limited accessibility and interpretability of model internals, making it difficult to assess reliability across different regions of the input space. As a result, there is a growing need for methods that can provide input-dependent uncertainty estimates to guide both model development and downstream experimentation. To address this need, we propose Adaptive Conformal Prediction using Nearest Neighbors (ACPNN), an input-adaptive conformal framework for image regression. ACPNN leverages information from neighboring samples to produce locally adaptive uncertainty estimates while maintaining low computational cost. The neighborhood structure is defined using a scaled distance metric learned via a Gaussian Process with an automatic relevance determination (ARD) kernel. We demonstrate the effectiveness of ACPNN on a diffusion model for emulating inertial confinement fusion (ICF) simulations, showing that it achieves reliable and adaptive uncertainty quantification.

Abstract:Uncertainty quantification is critical in scientific machine learning, where black-box, image-based models are increasingly deployed in high-stakes settings. In many such applications, model outputs inform costly decisions, yet most methods provide only point estimates without quantifying predictive uncertainty. This challenge is compounded by the limited accessibility and interpretability of model internals, making it difficult to assess reliability across different regions of the input space. As a result, there is a growing need for methods that can provide input-dependent uncertainty estimates to guide both model development and downstream experimentation. To address this need, we propose Adaptive Conformal Prediction using Nearest Neighbors (ACPNN), an input-adaptive conformal framework for image regression. ACPNN leverages information from neighboring samples to produce locally adaptive uncertainty estimates while maintaining low computational cost. The neighborhood structure is defined using a scaled distance metric learned via a Gaussian Process with an automatic relevance determination (ARD) kernel. We demonstrate the effectiveness of ACPNN on a diffusion model for emulating inertial confinement fusion (ICF) simulations, showing that it achieves reliable and adaptive uncertainty quantification.

Machine Learning (stat.ML); Machine Learning (cs.LG)

arXiv:2610.00535 [stat.ML]

(or arXiv:2610.00535v1 [stat.ML] for this version)

https://doi.org/10.48550/arXiv.2610.00535 Focus to learn more arXiv-issued DOI via DataCite (pending registration)

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Full text under the publisher's open licence · 270 words

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