arXiv Machine Learning
Aug 19

Detecting and Discriminating Operator Misspecification in Hybrid PDE-Parameter Learning: a Reference-Free Instrument, with Discrimination Bounded In Sample

The paper introduces a reference‑free instrument that, from a single fit and without an oracle, can detect whether a hybrid PDE‑parameter estimator’s assumed operator is misspecified and distinguish this from mere parameter unidentifiability. In a self‑adjoint parabolic inverse problem, the proposed information‑matrix statistic correctly identifies misspecification with low false‑positive rates, while remaining silent when the design is correctly specified but non‑identifiable. The study demonstrates that conventional accuracy checks can miss significant operator errors, and it maps out the instrument’s blind spots and conditions under which its guarantees hold.

By Eric Fock
arXiv Machine Learning
Aug 4

When May a Model Replace the Experiment? Audits, Licenses, and the Price of Trust in Surrogate-Driven Design

arXiv:2608. 01378v1 Announce Type: new Abstract: Design campaigns in chemistry, materials science, and machine learning share a bottleneck: determining how good a candidate truly is requires an expensive evaluation - an experiment, a first-principles simulation, or a full training run.

By Shuangxiu (Max), Ma (Zachary), Wenhe (Zachary), Zhao
Hugging Face Trending Papers
Jul 5

Asymptotic-Preserving A Posteriori Analysis of Diffusion and Flow-Matching Samplers

Diffusion and flow-matching samplers integrate a learned probability-flow ODE from a large noise scale down to a small terminal floor $σ_{\min}$, at which the score is stiff and the flow develops a boundary layer. We treat $σ_{\min}$ as a singular-perturbation parameter and determine which fixed-step samplers are asymptotic-preserving (AP), that is, stable and uniformly accurate as $σ_{\min}\to0$, casting the criteria as an a posteriori audit: residual functionals with $σ_{\min}$-uniform coefficients, computable on a pretrained checkpoint without ground-truth scores or exact trajectories.