arXiv Machine Learning By Edgar Jaber (CB, ENS Paris Saclay), R\'emy Vallot (CB, Michelin), Thibault Dairay (CB, Michelin), Mathilde Mougeot (CB, ENSIIE, ENS Paris Saclay)

Conformal risk control for model-form uncertainty in parametric non-intrusive reduced-order models

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arXiv:2608. 03360v1 Announce Type: cross Abstract: Non-intrusive reduced-order models (NIROMs) have become a standard tool for approximating parametric partial differential equations from computer design of experiments while significantly reducing computational costs.

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arXiv Statistics ML
6d ago

Multivariate conformal uncertainty propagation in multitask atomistic simulation: Successes and pitfalls

The paper explores multivariate conformal uncertainty propagation for multitask atomistic simulations, introducing methods such as Bonferroni‑corrected hyperrectangles, hyperellipsoidal sets based on Mahalanobis distance, and custom loss functions within conformal risk control. It applies these techniques to calibrate predictions of energies, forces, and stresses, then propagates the resulting uncertainty sets to downstream quantities like elastic constants and vacancy formation energies. The study emphasizes how incorporating correlation predictions can capture symmetries and error cancellation, and discusses the interaction between computational protocols and conformal guarantees.

By Katharine Fisher, Michael Herbst, James Kermode, Youssef Marzouk
arXiv Machine Learning
Jul 21

Isotonic Conformal Prediction

arXiv:2607. 16675v1 Announce Type: cross Abstract: A point prediction that is well calibrated on average can still be systematically biased conditional on its own value, undermining its use in downstream decision-making.

By Daniel Bensimon, Sean Xiang Yu, Eric D. Kolaczyk, Archer Y. Yang
arXiv Machine Learning
Jun 11

Structure-Preserving Neural Surrogates with Tractable Uncertainty Quantification

arXiv:2606. 11650v1 Announce Type: new Abstract: Recent advances in scientific machine learning provide a means of near-real-time solution to partial differential equations (PDEs), but lack the theoretical underpinnings of conventional simulators that support contemporary verification and validation.

By Handi Zhang, Adrienne M. Propp, Brooks Kinch, Houman Owhadi, Nathaniel Trask