Guiding Posterior Exploration with Optimizer-Derived Geometry
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Abstract (arXiv)
Sampling-based methods offer a principled approach to uncertainty quantification in Bayesian neural networks. Their practical use, however, is often challenged by the computational cost of exploring high-dimensional and multimodal posterior distributions. To overcome these difficulties, Bayesian Deep Ensembles, i.e., warmstarting the sampling from several optimized solutions, have proven to be an effective strategy. In this paper, we demonstrate that curvature estimates computed during the warmstart as a byproduct in adaptive optimizers such as AdamW can inform the sampling phase at negligible additional cost. Specifically, our proposed preconditioned sampling strategy based on optimizer-derived geometries can substantially reduce or even eliminate the need for a lengthy sampling burn-in phase and leads to greater numerical stability. This approach consistently maintains or improves predictive performance and uncertainty quantification without any additional computational costs. We confirm the consistency of our findings across various datasets and network architectures.
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References · 14
- 2016Simple and Scalable Predictive Uncertainty Estimation using Deep Ensemblescited by 3,926
- 2014Stochastic Gradient Hamiltonian Monte Carlocited by 343
- 2021What Are Bayesian Neural Network Posteriors Really Like?cited by 308
- 2023Sophia: A Scalable Stochastic Second-order Optimizer for Language Model Pre-trainingcited by 265
- 2019Cyclical Stochastic Gradient MCMC for Bayesian Deep Learningcited by 203
- 2020ADAHESSIAN: An Adaptive Second Order Optimizer for Machine Learningcited by 202
- 2015A Complete Recipe for Stochastic Gradient MCMCcited by 146
- 2015Preconditioned Stochastic Gradient Langevin Dynamics for Deep Neural Networkscited by 121
- 2019Filter Response Normalization Layer: Eliminating Batch Dependence in the Training of Deep Neural Networkscited by 45
- 2024BlackJAX: Composable Bayesian inference in JAXcited by 26
- 2025Fishers for Free? Approximating the Fisher Information Matrix by Recycling the Squared Gradient Accumulatorcited by 14
- 2024Scalable Bayesian Learning with posteriorscited by 13
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