Singular Bayesian Neural Networks

arXiv stat.ML / 5/5/2026

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Key Points

  • The paper argues that standard Bayesian neural networks are often over-parameterized because mean-field Gaussian posteriors require O(mn) parameters, even when the true weight structure is effectively low-rank.
  • It proposes “singular” Bayesian neural networks by factorizing weight matrices as W = AB^T, producing a posterior concentrated on a rank-r manifold and capturing correlated weight structure via shared latent factors.
  • The authors derive PAC-Bayes generalization and loss bounds, with complexity scaling roughly as √(r(m+n)) rather than √(mn), and decompose the resulting error into optimization and rank-induced bias.
  • They adapt low-rank Gaussian complexity results to Bayesian predictive means and show empirically that the approach achieves competitive predictive performance with up to 33× fewer parameters than 5-member Deep Ensembles.
  • Experiments indicate improved out-of-distribution (OOD) detection and often better calibration than mean-field and perturbation baselines, though Deep Ensembles can remain stronger for in-distribution likelihood metrics.

Abstract

Bayesian neural networks promise calibrated uncertainty but require O(mn) parameters for standard mean-field Gaussian posteriors. We argue this cost is often unnecessary, particularly when weight matrices exhibit fast singular value decay. By parameterizing weights as W = AB^{\top} with A \in \mathbb{R}^{m \times r}, B \in \mathbb{R}^{n \times r}, we induce a posterior that is \emph{singular} with respect to the Lebesgue measure, concentrating on the rank-r manifold. This singularity captures structured weight correlations through shared latent factors, geometrically distinct from mean-field's independence assumption. We derive PAC-Bayes generalization bounds whose complexity term scales as \sqrt{r(m+n)} instead of \sqrt{m n}, and prove loss bounds that decompose the error into optimization and rank-induced bias using the Eckart-Young-Mirsky theorem. We further adapt recent Gaussian complexity bounds for low-rank deterministic networks to Bayesian predictive means. Empirically, across MLPs, LSTMs, and Transformers on standard benchmarks, our method achieves competitive predictive performance while using up to 33\times fewer parameters than 5-member Deep Ensembles. It substantially improves OOD detection and often improves calibration relative to mean-field and perturbation baselines, while Deep Ensembles can still be stronger on in-distribution likelihood-based metrics.