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We propose a simulated annealing algorithm (called SNICA for "stochastic non-negative independent component analysis") for blind decomposition of linear mixtures of non-negative sources with non-negative coefficients. The de-mixing is based…

Chemical Physics · Physics 2011-11-09 Sergey A. Astakhov , Harald Stögbauer , Alexander Kraskov , Peter Grassberger

Ab initio quantum Monte Carlo (QMC) is a stochastic approach for solving the many-body Schr\"odinger equation without resorting to one-body approximations. QMC algorithms are readily parallelizable via ensembles of $N_w$ walkers, making…

Chemical Physics · Physics 2025-08-19 Kousuke Nakano , Sandro Sorella , Michele Casula

We consider conditional tests for non-negative discrete exponential families. We develop two Markov Chain Monte Carlo (MCMC) algorithms which allow us to sample from the conditional space and to perform approximated tests. The first…

Computation · Statistics 2017-07-27 Roberto Fontana , Francesca Romana Crucinio

We introduce Reflective Hamiltonian Monte Carlo (ReHMC), an HMC-based algorithm, to sample from a log-concave distribution restricted to a convex body. We prove that, starting from a warm start, the walk mixes to a log-concave target…

Machine Learning · Computer Science 2023-03-30 Apostolos Chalkis , Vissarion Fisikopoulos , Marios Papachristou , Elias Tsigaridas

A prominent family of methods for learning data distributions relies on density ratio estimation (DRE), where a model is trained to $\textit{classify}$ between data samples and samples from some reference distribution. DRE-based models can…

Machine Learning · Computer Science 2024-11-01 Shahar Yadin , Noam Elata , Tomer Michaeli

Denoising diffusion models are a popular class of generative models providing state-of-the-art results in many domains. One adds gradually noise to data using a diffusion to transform the data distribution into a Gaussian distribution.…

Machine Learning · Computer Science 2023-08-21 Francisco Vargas , Will Grathwohl , Arnaud Doucet

We present algorithms for diffusion model sampling which obtain $\delta$-error in $\mathrm{polylog}(1/\delta)$ steps, given access to $\widetilde O(\delta)$-accurate score estimates in $L^2$. This is an exponential improvement over all…

Machine Learning · Computer Science 2026-04-28 Fan Chen , Sinho Chewi , Constantinos Daskalakis , Alexander Rakhlin

Detecting out-of-distribution (OOD) inputs is pivotal for deploying safe vision systems in open-world environments. We revisit diffusion models, not as generators, but as universal perceptual templates for OOD detection. This research…

Computer Vision and Pattern Recognition · Computer Science 2025-07-31 Lemar Abdi , Amaan Valiuddin , Francisco Caetano , Christiaan Viviers , Fons van der Sommen

For the task of sampling from a density $\pi \propto \exp(-V)$ on $\mathbb{R}^d$, where $V$ is possibly non-convex but $L$-gradient Lipschitz, we prove that averaged Langevin Monte Carlo outputs a sample with $\varepsilon$-relative Fisher…

Statistics Theory · Mathematics 2022-02-11 Krishnakumar Balasubramanian , Sinho Chewi , Murat A. Erdogdu , Adil Salim , Matthew Zhang

Sampling from various kinds of distributions is an issue of paramount importance in statistics since it is often the key ingredient for constructing estimators, test procedures or confidence intervals. In many situations, the exact sampling…

Computation · Statistics 2016-12-06 Arnak S. Dalalyan

Monte Carlo methods represent the "de facto" standard for approximating complicated integrals involving multidimensional target distributions. In order to generate random realizations from the target distribution, Monte Carlo techniques use…

Computation · Statistics 2022-01-21 L. Martino , V. Elvira , D. Luengo , J. Corander

Hamiltonian Monte Carlo (HMC) is a Markov chain algorithm for sampling from a high-dimensional distribution with density $e^{-f(x)}$, given access to the gradient of $f$. A particular case of interest is that of a $d$-dimensional Gaussian…

Machine Learning · Statistics 2022-09-27 Simon Apers , Sander Gribling , Dániel Szilágyi

Understanding causal dependencies in observational data is critical for informing decision-making. These relationships are often modeled as Bayesian Networks (BNs) and Directed Acyclic Graphs (DAGs). Existing methods, such as NOTEARS and…

Machine Learning · Computer Science 2026-04-03 Hao Zhu , Di Zhou , Donna Slonim

We develop diffusion-based samplers for target distributions known up to a normalising constant. To this end, we rely on the well-known diffusion path that smoothly interpolates between a simple base distribution and the target, popularised…

Sampling from high-dimensional probability distributions is fundamental in machine learning and statistics. As datasets grow larger, computational efficiency becomes increasingly important, particularly in reducing adaptive complexity,…

Data Structures and Algorithms · Computer Science 2025-09-23 Huanjian Zhou , Masashi Sugiyama

Diffusion models have achieved remarkable success in generating high-resolution, realistic images across diverse natural distributions. However, their performance heavily relies on high-quality training data, making it challenging to learn…

Machine Learning · Computer Science 2025-05-22 Tianyu Chen , Yasi Zhang , Zhendong Wang , Ying Nian Wu , Oscar Leong , Mingyuan Zhou

This work presents self-rewarding sequential Monte Carlo (SMC), an inference-time scaling algorithm enabling effective sampling of masked diffusion language models (MDLMs). Our algorithm stems from the observation that most existing MDLMs…

Machine Learning · Computer Science 2026-02-03 Ziwei Luo , Ziqi Jin , Lei Wang , Lidong Bing , Thomas B. Schön

Hybrid Monte Carlo is a powerful Markov Chain Monte Carlo method for sampling from complex continuous distributions. However, a major limitation of HMC is its inability to be applied to discrete domains due to the lack of gradient signal.…

Machine Learning · Computer Science 2021-03-02 Priyank Jaini , Didrik Nielsen , Max Welling

Markov chain Monte Carlo (MCMC) methods asymptotically sample from complex probability distributions. The pseudo-marginal MCMC framework only requires an unbiased estimator of the unnormalized probability distribution function to construct…

Computation · Statistics 2016-05-25 Iain Murray , Matthew M. Graham

Diffusion models learn to denoise data and the trained denoiser is then used to generate new samples from the data distribution. In this paper, we revisit the diffusion sampling process and identify a fundamental cause of sample quality…

Machine Learning · Computer Science 2024-11-05 Yunshu Wu , Yingtao Luo , Xianghao Kong , Evangelos E. Papalexakis , Greg Ver Steeg