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We propose a novel method for sampling from unnormalized Boltzmann densities based on a probability flow ordinary differential equation (ODE) derived from linear stochastic interpolants. The key innovation of our approach is the use of a…

Numerical Analysis · Mathematics 2026-03-12 Chenguang Duan , Yuling Jiao , Gabriele Steidl , Christian Wald , Jerry Zhijian Yang , Ruizhe Zhang

The Hamiltonian Monte Carlo (HMC) sampling algorithm exploits Hamiltonian dynamics to construct efficient Markov Chain Monte Carlo (MCMC), which has become increasingly popular in machine learning and statistics. Since HMC uses the gradient…

Machine Learning · Computer Science 2019-06-04 Minghao Gu , Shiliang Sun

This paper is concerned with sampling from probability distributions $\pi$ on $\mathbb{R}^d$ admitting a density of the form $\pi(x) \propto e^{-U(x)}$, where $U(x)=F(x)+G(Kx)$ with $K$ being a linear operator and $G$ being…

Optimization and Control · Mathematics 2024-05-28 Andreas Habring , Martin Holler , Thomas Pock

There is a long history, as well as a recent explosion of interest, in statistical and generative modeling approaches based on score functions -- derivatives of the log-likelihood of a distribution. In seminal works, Hyv\"arinen proposed…

Machine Learning · Computer Science 2023-10-04 Frederic Koehler , Thuy-Duong Vuong

Many segmentation tasks, such as medical image segmentation or future state prediction, are inherently ambiguous, meaning that multiple predictions are equally correct. Current methods typically rely on generative models to capture this…

Computer Vision and Pattern Recognition · Computer Science 2026-03-23 Sebastian Gerard , Josephine Sullivan

We consider numerical methods for thermodynamic sampling, i.e. computing sequences of points distributed according to the Gibbs-Boltzmann distribution, using Langevin dynamics and overdamped Langevin dynamics (Brownian dynamics). A wide…

Statistical Mechanics · Physics 2015-01-13 Benedict Leimkuhler , Charles Matthews , Gabriel Stoltz

Exploration is a fundamental problem in robotics. While sampling-based planners have shown high performance, they are oftentimes compute intensive and can exhibit high variance. To this end, we propose to directly learn the underlying…

Robotics · Computer Science 2022-07-15 Lukas Schmid , Chao Ni , Yuliang Zhong , Roland Siegwart , Olov Andersson

In the study of natural and artificial complex systems, responses that are not completely determined by the considered decision variables are commonly modelled probabilistically, resulting in response distributions varying across decision…

Methodology · Statistics 2021-10-07 Athénaïs Gautier , David Ginsbourger , Guillaume Pirot

We propose a new approach that combines multiple non-parametric likelihood-type components to build a data-driven approximation of the true likelihood function. Our approach is built on empirical likelihood, a non-parametric approximation…

Methodology · Statistics 2017-12-15 Adam Jaeger , Nicole Lazar

An effective approach for sampling from unnormalized densities is based on the idea of gradually transporting samples from an easy prior to the complicated target distribution. Two popular methods are (1) Sequential Monte Carlo (SMC), where…

Machine Learning · Statistics 2025-09-09 Junhua Chen , Lorenz Richter , Julius Berner , Denis Blessing , Gerhard Neumann , Anima Anandkumar

We propose a new Monte Carlo method for sampling from multimodal distributions. The idea of this technique is based on splitting the task into two: finding the modes of a target distribution $\pi$ and sampling, given the knowledge of the…

Computation · Statistics 2019-01-14 Emilia Pompe , Chris Holmes , Krzysztof Łatuszyński

Sampling from high-dimensional distributions is a fundamental problem in statistical research and practice. However, great challenges emerge when the target density function is unnormalized and contains isolated modes. We tackle this…

Methodology · Statistics 2023-04-11 Yixuan Qiu , Xiao Wang

Annealing-based neural samplers seek to amortize sampling from unnormalized distributions by training neural networks to transport a family of densities interpolating from source to target. A crucial design choice in the training phase of…

Machine Learning · Computer Science 2025-09-03 Ezra Erives , Bowen Jing , Peter Holderrieth , Tommi Jaakkola

In this work, we propose FastDPM, a unified framework for fast sampling in diffusion probabilistic models. FastDPM generalizes previous methods and gives rise to new algorithms with improved sample quality. We systematically investigate the…

Machine Learning · Computer Science 2021-06-25 Zhifeng Kong , Wei Ping

Design of experiments, random search, initialization of population-based methods, or sampling inside an epoch of an evolutionary algorithm use a sample drawn according to some probability distribution for approximating the location of an…

Neural and Evolutionary Computing · Computer Science 2020-04-27 Laurent Meunier , Carola Doerr , Jeremy Rapin , Olivier Teytaud

The sampling problem lies at the heart of atomistic simulations and over the years many different enhanced sampling methods have been suggested towards its solution. These methods are often grouped into two broad families. On the one hand…

Computational Physics · Physics 2020-11-25 Michele Invernizzi , Pablo Miguel Piaggi , Michele Parrinello

Diversity is an essential metric for evaluating the creativity of outputs generated by language models. Temperature-based sampling is a common strategy to increase diversity. However, for tasks that require high precision, e.g.,…

Machine Learning · Computer Science 2025-10-03 Sergey Troshin , Wafaa Mohammed , Yan Meng , Christof Monz , Antske Fokkens , Vlad Niculae

In this article we propose a novel method for sampling from Gibbs distributions of the form $\pi(x)\propto\exp(-U(x))$ with a potential $U(x)$. In particular, inspired by diffusion models we propose to consider a sequence $(\pi^{t_k})_k$ of…

Optimization and Control · Mathematics 2025-04-04 Andreas Habring , Alexander Falk , Thomas Pock

Sampling from flat modes in discrete spaces is a crucial yet underexplored problem. Flat modes represent robust solutions and have broad applications in combinatorial optimization and discrete generative modeling. However, existing sampling…

Machine Learning · Computer Science 2025-05-19 Pinaki Mohanty , Riddhiman Bhattacharya , Ruqi Zhang

A new approach of obtaining stratified random samples from statistically dependent random variables is described. The proposed method can be used to obtain samples from the input space of a computer forward model in estimating expectations…

Methodology · Statistics 2019-11-25 Anirban Mondal , Abhijit Mandal