arXiv Statistics ML

An end-to-end framework for uncertainty-aware validation of generative models

The paper introduces SIGMA, an end‑to‑end framework that couples density estimation with principled uncertainty quantification for generative models. By using Gaussian mixture models and treating uncertainties as nuisance parameters in a new goodness‑of‑fit test, SIGMA converts a standard point‑null test into a composite test that accounts for statistical error of the fit. The authors demonstrate that incorporating uncertainties allows the same model to be trusted on test sets up to an order of magnitude larger than with conventional methods, using both a toy two‑dimensional example and a collider physics benchmark.

arXiv Machine Learning
Oct 5

Reliability of Probabilistic Emulation of Physical Systems

The paper compares two main strategies for producing probabilistic forecasts of physical systems: generative models (e.g., diffusion or flow matching) and ensembles of deterministic models trained with the continuous ranked probability score (CRPS). It introduces a framework that evaluates both methods on diverse 2‑D spatiotemporal systems, measuring empirical coverage of predictive intervals, accuracy, and computational efficiency. The study finds that CRPS‑trained ensembles generally provide more reliable uncertainties and faster inference, while generative models trained in ambient space can match coverage but at higher latency. The authors also release AutoCast, a modular framework for both approaches, and AutoSim, a dataset generation tool.

By Sam F. Greenbury, Radka Jersakova, Paolo Conti, Marjan Famili, Christopher Iliffe Sprague, Edwin Brown, Farhan Feroz, Jason D. McEwen
arXiv Machine Learning
Oct 16

Learn Only Where You Can't Compute: Structured Corrections to Gaussian Process Posteriors

The paper introduces a structured posterior‑correction framework that blends a tractable Gaussian reference with data‑driven corrections learned via diffusion models. After applying mean correction and covariance calibration, the diffusion model focuses on a low‑dimensional subspace that captures discrepancies from the Gaussian reference, while the remaining space stays Gaussian. Experiments on three scientific inference tasks show that these corrections recover hidden modes, improve sample structure, and reduce prediction error compared to the Gaussian reference, with trade‑offs between accuracy and computational cost relative to full‑field generative models.

By Tobias Weber, Carla Sagebiel, Philipp Hennig
arXiv Machine Learning
Oct 3

Scaling Collider Event Generation with Residual-Quantized Tokens

The paper introduces a particle‑level generative model that uses residual‑quantized full‑event data to enable fast, ML‑based surrogate simulation for collider events. It demonstrates conditional generation from detector‑stable particles, explores scaling across dataset and model sizes, and shows that token‑level loss predicts downstream physical fidelity. The work offers an empirical framework for scalable collider full‑event generation using residual‑quantized representations.

By Dan Godi, Dmitrii Kobylianskii, Eilam Gross
arXiv Machine Learning
Jun 30

Factorizable Normalizing Flows for parameter-dependent density morphing

arXiv:2606. 30489v1 Announce Type: cross Abstract: Normalizing Flows excel at modeling a single fixed density, yet many problems across the sciences, such as high energy physics, instead require modeling how that density deforms as a function of continuous parameters: the strength of a physical effect, a calibration constant, or a source of systematic uncertainty.

By Davide Valsecchi, Mauro Doneg\`a, Rainer Wallny
arXiv AI
Jun 24

Catastrophic Compositional Generation: Why Vanilla Diffusion Models Fail to Extrapolate

arXiv:2606. 23920v1 Announce Type: cross Abstract: The task of compositional generation involves using a conditional generative model, trained only on a subset of the possible conditions, to produce samples from compositionally-defined target distributions such as a geometric combination of the source distributions.

By Duncan Soiffer, Chandler Squires, Yuan Guan, Jason Hartford, Pradeep Ravikumar