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High-dimensional Adaptive MCMC with Reduced Computational Complexity

Hird, Max, Livingstone, Samuel

arXiv.org Machine Learning

We propose an adaptive MCMC method that learns a linear preconditioner which is dense in its off-diagonal elements but sparse in its parametrisation. Due to this sparsity, we achieve a per-iteration computational complexity of $O(m^2d)$ for a user-determined parameter $m$, compared with the $O(d^2)$ complexity of existing adaptive strategies that can capture correlation information from the target. Diagonal preconditioning has an $O(d)$ per-iteration complexity, but is known to fail in the case that the target distribution is highly correlated, see \citet[Section 3.5]{hird2025a}. Our preconditioner is constructed using eigeninformation from the target covariance which we infer using online principal components analysis on the MCMC chain. It is composed of a diagonal matrix and a product of carefully chosen reflection matrices. On various numerical tests we show that it outperforms diagonal preconditioning in terms of absolute performance, and that it outperforms traditional dense preconditioning and multiple diagonal plus low-rank alternatives in terms of time-normalised performance.


A-NICE-MC: Adversarial Training for MCMC

Neural Information Processing Systems

Existing Markov Chain Monte Carlo (MCMC) methods are either based on general-purpose and domain-agnostic schemes, which can lead to slow convergence, or require hand-crafting of problem-specific proposals by an expert. We propose A-NICE-MC, a novel method to train flexible parametric Markov chain kernels to produce samples with desired properties. First, we propose an efficient likelihood-free adversarial training method to train a Markov chain and mimic a given data distribution. Then, we leverage flexible volume preserving flows to obtain parametric kernels for MCMC. Using a bootstrap approach, we show how to train efficient Markov Chains to sample from a prescribed posterior distribution by iteratively improving the quality of both the model and the samples. A-NICE-MC provides the first framework to automatically design efficient domain-specific MCMC proposals. Empirical results demonstrate that A-NICE-MC combines the strong guarantees of MCMC with the expressiveness of deep neural networks, and is able to significantly outperform competing methods such as Hamiltonian Monte Carlo.


Mental Sampling in Multimodal Representations

Neural Information Processing Systems

Both resources in the natural environment and concepts in a semantic space are distributed patchily, with large gaps in between the patches. To describe people's internal and external foraging behavior, various random walk models have been proposed. In particular, internal foraging has been modeled as sampling: in order to gather relevant information for making a decision, people draw samples from a mental representation using random-walk algorithms such as Markov chain Monte Carlo (MCMC). However, two common empirical observations argue against people using simple sampling algorithms such as MCMC for internal foraging. First, the distance between samples is often best described by a Levy flight distribution: the probability of the distance between two successive locations follows a power-law on the distances.


Preconditioned One-Step Generative Modeling for Bayesian Inverse Problems in Function Spaces

Cheng, Zilan, Wang, Li-Lian, Wang, Zhongjian

arXiv.org Machine Learning

We propose a machine-learning algorithm for Bayesian inverse problems in the function-space regime based on one-step generative transport. Building on the Mean Flows, we learn a fully conditional amortized sampler with a neural-operator backbone that maps a reference Gaussian noise to approximate posterior samples. We show that while white-noise references may be admissible at fixed discretization, they become incompatible with the function-space limit, leading to instability in inference for Bayesian problems arising from PDEs. To address this issue, we adopt a prior-aligned anisotropic Gaussian reference distribution and establish the Lipschitz regularity of the resulting transport. Our method is not distilled from MCMC: training relies only on prior samples and simulated partial and noisy observations. Once trained, it generates a $64\times64$ posterior sample in $\sim 10^{-3}$s, avoiding the repeated PDE solves of MCMC while matching key posterior summaries.



3DGaussianSplattingas MarkovChainMonteCarlo

Neural Information Processing Systems

While 3DGaussian Splatting has recently become popular for neural rendering, current methods rely on carefully engineered cloning and splitting strategies for placing Gaussians, which can lead to poor-quality renderings, and reliance on a goodinitialization.


Learning Energy-Based Prior Model with Diffusion-Amortized MCMC Peiyu Y u

Neural Information Processing Systems

Latent space Energy-Based Models (EBMs), also known as energy-based priors, have drawn growing interests in the field of generative modeling due to its flexibility in the formulation and strong modeling power of the latent space. However, the common practice of learning latent space EBMs with non-convergent short-run MCMC for prior and posterior sampling is hindering the model from further progress; the degenerate MCMC sampling quality in practice often leads to degraded generation quality and instability in training, especially with highly multi-modal and/or high-dimensional target distributions. To remedy this sampling issue, in this paper we introduce a simple but effective diffusion-based amortization method for long-run MCMC sampling and develop a novel learning algorithm for the latent space EBM based on it. We provide theoretical evidence that the learned amortization of MCMC is a valid long-run MCMC sampler.