SOAP-Bubbles: Structured Weight Uncertainty for Neural Networks

Shampoo and its efficient variant, SOAP, employ structured second-moment estimations and have shown strong performance for training neural networks (NNs). In practice, however, Shampoo typically requires step-size grafting with Adam to be competitive, and SOAP mitigates this by applying Adam in Shampoo's eigenbasis -- at the cost of additional memory overhead from Adam in both methods. Prior analyses have largely relied on the Frobenius norm to motivate these estimation schemes. We instead recast their estimation procedures as covariance estimation under Kullback-Leibler (KL) divergence minimization, revealing a previously overlooked theoretical limitation and motivating principled redesigns. Building on this perspective, we develop $\textbf{KL-Shampoo}$ and $\textbf{KL-SOAP}$, practical schemes that match or exceed the performance of Shampoo and SOAP in NN pre-training while achieving SOAP-level per-iteration runtime. Notably, KL-Shampoo does not rely on Adam to attain competitive performance, eliminating the memory overhead introduced by Adam. Across our experiments, KL-Shampoo consistently outperforms SOAP, Shampoo, and even KL-SOAP, establishing the KL-based approach as a promising foundation for designing structured methods in NN optimization. An implementation of KL-Shampoo/KL-SOAP is available at https://github.com/yorkerlin/KL-Methods

Modern deep learning models remain notoriously prone to overconfidence, limiting their reliability in high-stakes applications. Bayesian methods aim to counter this by learning a distribution over model parameters, and recent advances now make this feasible for large-scale architectures at costs comparable to AdamW. However, a challenge remains at test time: predictions must be averaged across many forward passes with weights sampled from the posterior, which is prohibitively expensive. Variance propagation offers an efficient alternative, computing layer-wise analytical approximations of uncertainty in a single forward pass. While such techniques are effective for MLPs, their extension to modern architectures remains challenging, due to increased depth and diversity of layer types. To fill this gap, we propose Calibrated Variance Propagation (CVP), which introduces a new propagation method for normalization layers, combines it with recent techniques for handling activation functions, and absorbs residual error through a light calibration step. CVP yields comparably accurate uncertainty estimates to MC sampling across transformers and CNNs, at a fraction of the cost. Against prior variance propagation work, CVP improves coverage at $0.5\%$ risk from $8.2\%$ to $14.6\%$ with BEiT-3 on Visual Reasoning (NLVR2) and from $2.6\%$ to $10.8\%$ with ViLT on VQAv2, with gains extending to convolutional architectures.

Differential privacy provides formal privacy guarantees for training neural networks on sensitive data, while Bayesian deep learning offers a principled framework for uncertainty-aware prediction. Combining these two objectives remains challenging, as privacy noise can interact with the stochasticity introduced by Bayesian posterior sampling. In this work, we investigate differentially private variational Bayesian learning through the Improved Variational Online Newton (IVON) optimizer. We introduce DP-IVON-Gradsq, a private variant of IVON. The proposed method constructs its curvature estimate from the privatized gradient using a noise-corrected squared-gradient estimator, reducing the direct interaction between posterior-sampling noise and privacy noise while preserving the Adam-like computational efficiency of IVON. We evaluate DP-IVON-Gradsq on CIFAR-10 against the standard private optimizers DP-SGD and DP-Adam over a range of privacy budgets. The results show that DP-IVON-Gradsq is competitive under weak-to-moderate privacy constraints, i.e., large-to-moderate values of $\varepsilon$, while degrading under strong privacy. Code is available at https://github.com/NourJamoussi/DP-IVON-Gradsq.git.