Traditional Markov Chain Monte Carlo sampling methods often struggle with sharp curvatures, intricate geometries, and multimodal distributions. Slice sampling can resolve local exploration inefficiency issues and Riemannian geometries help with sharp curvatures. Recent extensions enable slice sampling on Riemannian manifolds, but they are restricted to cases where geodesics are available in closed form. We propose a method that generalizes Hit-and-Run slice sampling to more general geometries tailored to the target distribution, by approximating geodesics as solutions to differential equations. Our approach enables exploration of regions with strong curvature and rapid transitions between modes in multimodal distributions. We demonstrate the advantages of the approach over challenging sampling problems.

Recent studies on deep neural networks show that flat minima of the loss landscape correlate with improved generalization. Sharpness-aware minimization (SAM) efficiently finds flat regions by updating the parameters according to the gradient at an adversarial perturbation. The perturbation depends on the Euclidean metric, making SAM non-invariant under reparametrizations, which blurs sharpness and generalization. We propose Monge SAM (M-SAM), a reparametrization invariant version of SAM by considering a Riemannian metric in the parameter space induced naturally by the loss surface. Compared to previous approaches, M-SAM works under any modeling choice, relies only on mild assumptions while being as computationally efficient as SAM. We theoretically argue that M-SAM varies between SAM and gradient descent (GD), which increases robustness to hyperparameter selection and reduces attraction to suboptimal equilibria like saddle points. We demonstrate this behavior both theoretically and empirically on a multi-modal representation alignment task.

Stochastic-gradient sampling methods are often used to perform Bayesian inference on neural networks. It has been observed that the methods in which notions of differential geometry are included tend to have better performances, with the Riemannian metric improving posterior exploration by accounting for the local curvature. However, the existing methods often resort to simple diagonal metrics to remain computationally efficient. This loses some of the gains. We propose two non-diagonal metrics that can be used in stochastic-gradient samplers to improve convergence and exploration but have only a minor computational overhead over diagonal metrics. We show that for fully connected neural networks (NNs) with sparsity-inducing priors and convolutional NNs with correlated priors, using these metrics can provide improvements. For some other choices the posterior is sufficiently easy also for the simpler metrics.

The efficiency of Markov Chain Monte Carlo (MCMC) depends on how the underlying geometry of the problem is taken into account. For distributions with strongly varying curvature, Riemannian metrics help in efficient exploration of the target distribution. Unfortunately, they have significant computational overhead due to e.g. repeated inversion of the metric tensor, and current geometric MCMC methods using the Fisher information matrix to induce the manifold are in practice slow. We propose a new alternative Riemannian metric for MCMC, by embedding the target distribution into a higher-dimensional Euclidean space as a Monge patch and using the induced metric determined by direct geometric reasoning. Our metric only requires first-order gradient information and has fast inverse and determinants, and allows reducing the computational complexity of individual iterations from cubic to quadratic in the problem dimensionality. We demonstrate how Lagrangian Monte Carlo in this metric efficiently explores the target distributions.