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Singular Bayesian Neural Networks

Machine Learning 2026-05-05 v3 Machine Learning Applications

Abstract

Bayesian neural networks promise calibrated uncertainty but require O(mn)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=ABW = AB^{\top} with ARm×rA \in \mathbb{R}^{m \times r}, BRn×rB \in \mathbb{R}^{n \times r}, we induce a posterior that is \emph{singular} with respect to the Lebesgue measure, concentrating on the rank-rr 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 r(m+n)\sqrt{r(m+n)} instead of mn\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 33×33\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.

Keywords

Cite

@article{arxiv.2602.00387,
  title  = {Singular Bayesian Neural Networks},
  author = {Mame Diarra Toure and David A. Stephens},
  journal= {arXiv preprint arXiv:2602.00387},
  year   = {2026}
}

Comments

8 pages Main text, 53 pages Appendix, 20 figures Proceedings of the 43 rd International Conference on Machine Learning (ICML 2026)

R2 v1 2026-07-01T09:28:52.106Z