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We consider the problem of estimating probability density functions based on sample data, using a finite mixture of densities from some component class. To this end, we introduce the $h$-lifted Kullback--Leibler (KL) divergence as a…

Machine Learning · Statistics 2024-12-24 Mark Chiu Chong , Hien Duy Nguyen , TrungTin Nguyen

A new approach to $L_2$-consistent estimation of a general density functional using $k$-nearest neighbor distances is proposed, where the functional under consideration is in the form of the expectation of some function $f$ of the densities…

Statistics Theory · Mathematics 2022-03-14 J. Jon Ryu , Shouvik Ganguly , Young-Han Kim , Yung-Kyun Noh , Daniel D. Lee

Triangular flows, also known as Kn\"{o}the-Rosenblatt measure couplings, comprise an important building block of normalizing flow models for generative modeling and density estimation, including popular autoregressive flow models such as…

Machine Learning · Statistics 2022-01-03 Nicholas J. Irons , Meyer Scetbon , Soumik Pal , Zaid Harchaoui

A number of distributions that arise in statistical applications can be expressed in the form of a weighted density: the product of a base density and a nonnegative weight function. Generating variates from such a distribution may be…

Methodology · Statistics 2025-03-18 Andrew M. Raim , James A. Livsey , Kyle M. Irimata

The Kullback-Leibler (KL) divergence is frequently used in data science. For discrete distributions on large state spaces, approximations of probability vectors may result in a few small negative entries, rendering the KL divergence…

We propose two novel samplers to generate high-quality samples from a given (un-normalized) probability density. Motivated by the success of generative adversarial networks, we construct our samplers using deep neural networks that…

Machine Learning · Statistics 2021-02-10 Tianyang Hu , Zixiang Chen , Hanxi Sun , Jincheng Bai , Mao Ye , Guang Cheng

Training neural samplers directly from unnormalized densities without access to target distribution samples presents a significant challenge. A critical desideratum in these settings is achieving comprehensive mode coverage, ensuring the…

Machine Learning · Computer Science 2025-05-27 Chenguang Wang , Xiaoyu Zhang , Kaiyuan Cui , Weichen Zhao , Yongtao Guan , Tianshu Yu

Normalizing flows are a promising tool for modeling probability distributions in physical systems. While state-of-the-art flows accurately approximate distributions and energies, applications in physics additionally require smooth energies…

Machine Learning · Statistics 2021-12-01 Jonas Köhler , Andreas Krämer , Frank Noé

Normalizing Flows provide a principled framework for high-dimensional density estimation and generative modeling by constructing invertible transformations with tractable Jacobian determinants. We propose Fractal Flow, a novel normalizing…

Machine Learning · Statistics 2025-08-28 Binhui Zhang , Jianwei Ma

Score Distillation Sampling (SDS) has been pivotal for leveraging pre-trained diffusion models in downstream tasks such as inverse problems, but it faces two major challenges: $(i)$ mode collapse and $(ii)$ latent space inversion, which…

Machine Learning · Computer Science 2024-10-15 Nicolas Zilberstein , Morteza Mardani , Santiago Segarra

Sampling-based motion planning is the predominant paradigm in many real-world robotic applications, but its performance is immensely dependent on the quality of the samples. The majority of traditional planners are inefficient as they use…

Robotics · Computer Science 2020-10-23 Tin Lai , Fabio Ramos

Functional data that are nonnegative and have a constrained integral can be considered as samples of one-dimensional density functions. Such data are ubiquitous. Due to the inherent constraints, densities do not live in a vector space and,…

Statistics Theory · Mathematics 2016-01-13 Alexander Petersen , Hans-Georg Müller

Normalizing flows, which learn a distribution by transforming the data to samples from a Gaussian base distribution, have proven powerful density approximations. But their expressive power is limited by this choice of the base distribution.…

Machine Learning · Computer Science 2021-07-16 Mike Laszkiewicz , Johannes Lederer , Asja Fischer

Generative models are a promising tool to address the sampling problem in multi-body and condensed-matter systems in the framework of statistical mechanics. In this work, we show that normalizing flows can be used to learn a transformation…

Computational Physics · Physics 2022-08-23 Alessandro Coretti , Sebastian Falkner , Phillip Geissler , Christoph Dellago

Normalizing flows (NF) use a continuous generator to map a simple latent (e.g. Gaussian) distribution, towards an empirical target distribution associated with a training data set. Once trained by minimizing a variational objective, the…

Machine Learning · Statistics 2023-05-23 Florentin Coeurdoux , Nicolas Dobigeon , Pierre Chainais

Understanding the dynamics of complex molecular processes is often linked to the study of infrequent transitions between long-lived stable states. The standard approach to the sampling of such rare events is to generate an ensemble of…

Computational Physics · Physics 2023-05-22 Sebastian Falkner , Alessandro Coretti , Salvatore Romano , Phillip Geissler , Christoph Dellago

Motivated by the computation of the non-parametric maximum likelihood estimator (NPMLE) and the Bayesian posterior in statistics, this paper explores the problem of convex optimization over the space of all probability distributions. We…

Statistics Theory · Mathematics 2023-11-03 Rentian Yao , Linjun Huang , Yun Yang

Solving decision problems in complex, stochastic environments is often achieved by estimating the expected outcome of decisions via Monte Carlo sampling. However, sampling may overlook rare, but important events, which can severely impact…

Machine Learning · Statistics 2023-05-16 Lachlan Gibson , Marcus Hoerger , Dirk Kroese

We study the problem of model selection type aggregation with respect to the Kullback-Leibler divergence for various probabilistic models. Rather than considering a convex combination of the initial estimators $f_1, \ldots, f_N$, our…

Statistics Theory · Mathematics 2016-01-22 Cristina Butucea , Jean-François Delmas , Anne Dutfoy , Richard Fischer

Computing the marginal likelihood (also called the Bayesian model evidence) is an important task in Bayesian model selection, providing a principled quantitative way to compare models. The learned harmonic mean estimator solves the…

Methodology · Statistics 2024-01-22 Alicja Polanska , Matthew A. Price , Alessio Spurio Mancini , Jason D. McEwen