arXiv Machine Learning

Information-Based Calibration of Uncertainty Quantification in Product-of-Experts Gaussian Process Models

arXiv Machine Learning
Sep 15

Bayesian Optimisation Using Product-of-Experts Gaussian Process Models with Uncertainty Calibration

The paper introduces BO-pro-c, a Bayesian optimisation algorithm that employs a product-of-experts Gaussian process (GP-pro-c) as its surrogate model. GP-pro-c combines multiple local GP experts to improve uncertainty quantification, reduce computational cost, and preserve global correlations, addressing the cubic complexity of single global GP models. Experiments show that BO-pro-c achieves competitive optimisation performance with a 0.9% lower simple regret and a 39.4% reduction in computational overhead compared to a single‑global‑GP baseline.

By Yean Hoon Ong
arXiv Machine Learning
Oct 5

Predictively Oriented Gaussian Process Posteriors

arXiv:2610.03201v1 Announce Type: cross Abstract: Gaussian Processes (GPs) are a powerful tool for modelling and quantifying uncertainty in functional relationships. However, they require practitione...

By Callum Lau, Jeremias Knoblauch, Louis Sharrock
arXiv Machine Learning
Oct 3

A Ground-Truth Framework for Uncertainty Disentanglement with Posterior Risk

The paper introduces a ground‑truth framework for disentangling uncertainty into epistemic and aleatoric components using sample‑conditional pointwise posterior risk. It evaluates current methods, finding that Spectral‑normalized Neural Gaussian Processes and Variational Latent Gaussian Processes best recover the ground‑truth uncertainty, while most methods align more closely with posterior variance and miss predictor bias. The study also explores the entanglement of estimated uncertainties and the impact of modeling choices, providing practical guidance and releasing 13 semi‑synthetic datasets for further validation.

By Frieder Wizgall, Georg Tirpitz, Moritz Seiler, Kerstin Ritter, B\'alint Mucs\'anyi
arXiv Machine Learning
Oct 12

Product Monte Carlo: Expectation Under a Product of Densities

Product Monte Carlo (PMC) is an algorithm that estimates expectations under a product of densities using only Monte Carlo samples from each individual density. By reformulating the intractable product expectation as a regression problem involving computable conditional expectations, PMC provides both point estimates and coherent Bayesian uncertainty quantification. The method achieves higher accuracy, better-calibrated uncertainty, and improved scalability compared to existing techniques, and it does not require density evaluations, enabling its use in simulation‑based inference such as protein image analysis.

By Pietro Carlotti, Sifan Liu, Yuling Yao
arXiv Machine Learning
Aug 27

Gradient-based Sample Selection for Faster Bayesian Optimization

The paper introduces Gradient-based Sample Selection Bayesian Optimization (GSSBO), a method that builds the Gaussian process surrogate on a strategically chosen subset of samples rather than the full dataset. By using gradient information to eliminate redundant points while keeping diversity and representativeness, GSSBO achieves sublinear regret bounds and reduces the cubic computational cost of standard BO. Experiments on synthetic and real-world tasks show that this approach maintains comparable optimization performance while significantly cutting GP fitting time and resource usage.

By Qiyu Wei, Haowei Wang, Zirui Cao, Songhao Wang, Richard Allmendinger, Mauricio A \'Alvarez