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There are plenty of problems where the data available is scarce and expensive. We propose a generator of semi-artificial data with similar properties to the original data which enables development and testing of different data mining…

Machine Learning · Statistics 2020-07-21 Marko Robnik-Šikonja

Sampling equilibrium molecular configurations from the Boltzmann distribution is a longstanding challenge. Boltzmann Generators (BGs) address this by combining exact-likelihood generative models with importance sampling, but practical…

Machine Learning · Computer Science 2026-05-29 Weilong Chen , Bojun Zhao , Jan Eckwert , Julija Zavadlav

Recently, a series of papers proposed deep learning-based approaches to sample from target distributions using controlled diffusion processes, being trained only on the unnormalized target densities without access to samples. Building on…

Machine Learning · Computer Science 2024-05-24 Lorenz Richter , Julius Berner

Generative flow networks (GFNs) are a class of models for sequential sampling of composite objects, which approximate a target distribution that is defined in terms of an energy function or a reward. GFNs are typically trained using a flow…

Machine Learning · Statistics 2022-10-17 Heiko Zimmermann , Fredrik Lindsten , Jan-Willem van de Meent , Christian A. Naesseth

For many applications, such as computing the expected value of different magnitudes, sampling from a known probability density function, the target density, is crucial but challenging through the inverse transform. In these cases, rejection…

Machine Learning · Computer Science 2020-03-24 Sebastian Pina-Otey , Thorsten Lux , Federico Sánchez , Vicens Gaitan

Generative models based on diffusion have become the state of the art in the last few years, notably for image generation. Here, we analyse them in the high-dimensional limit, where data are formed by a very large number of variables. We…

Disordered Systems and Neural Networks · Physics 2023-10-31 Giulio Biroli , Marc Mézard

We present energy-based generative flow networks (EB-GFN), a novel probabilistic modeling algorithm for high-dimensional discrete data. Building upon the theory of generative flow networks (GFlowNets), we model the generation process by a…

Machine Learning · Computer Science 2022-06-10 Dinghuai Zhang , Nikolay Malkin , Zhen Liu , Alexandra Volokhova , Aaron Courville , Yoshua Bengio

The commonly used latent space embedding techniques, such as Principal Component Analysis, Factor Analysis, and manifold learning techniques, are typically used for learning effective representations of homogeneous data. However, they do…

Machine Learning · Computer Science 2021-10-04 Yasin Yilmaz , Mehmet Aktukmak , Alfred O. Hero

A general procedure of average-case performance evaluation for population dynamics such as genetic algorithms (GAs) is proposed and its validity is numerically examined. We introduce a learning algorithm of Gibbs distributions from training…

Neural and Evolutionary Computing · Computer Science 2010-04-22 Manabu Kitagata , Jun-ichi Inoue

We propose a deep generative approach to sampling from a conditional distribution based on a unified formulation of conditional distribution and generalized nonparametric regression function using the noise-outsourcing lemma. The proposed…

Statistics Theory · Mathematics 2021-10-22 Xingyu Zhou , Yuling Jiao , Jin Liu , Jian Huang

Sampling conditional distributions is a fundamental task for Bayesian inference and density estimation. Generative models, such as normalizing flows and generative adversarial networks, characterize conditional distributions by learning a…

Deep generative models are proficient in generating realistic data but struggle with producing rare samples in low density regions due to their scarcity of training datasets and the mode collapse problem. While recent methods aim to improve…

Computer Vision and Pattern Recognition · Computer Science 2025-01-08 Subeen Lee , Jiyeon Han , Soyeon Kim , Jaesik Choi

We consider the problem of sampling from a probability distribution $\pi$. It is well known that this can be written as an optimisation problem over the space of probability distributions in which we aim to minimise the Kullback--Leibler…

Machine Learning · Statistics 2026-04-23 Francesca Romana Crucinio , Sahani Pathiraja

A gradient-free deterministic method is developed to solve global optimization problems for Lipschitz continuous functions defined in arbitrary path-wise connected compact sets in Euclidean spaces. The method can be regarded as granular…

Optimization and Control · Mathematics 2021-07-15 Tao Qian , Lei Dai , Liming Zhang , Zehua Chen

Diffusion models are a new class of generative models that revolve around the estimation of the score function associated with a stochastic differential equation. Subsequent to its acquisition, the approximated score function is then…

Statistics Theory · Mathematics 2024-09-13 Giovanni Conforti , Alain Durmus , Marta Gentiloni Silveri

Diffusion generative models have emerged as powerful tools for producing synthetic data from an empirically observed distribution. A common approach involves simulating the time-reversal of an Ornstein-Uhlenbeck (OU) process initialized at…

Machine Learning · Statistics 2025-12-02 Valentin de Bortoli , Romuald Elie , Anna Kazeykina , Zhenjie Ren , Jiacheng Zhang

Random graph models are frequently used as a controllable and versatile data source for experimental campaigns in various research fields. Generating such data-sets at scale is a non-trivial task as it requires design decisions typically…

Data Structures and Algorithms · Computer Science 2020-03-03 Manuel Penschuck , Ulrik Brandes , Michael Hamann , Sebastian Lamm , Ulrich Meyer , Ilya Safro , Peter Sanders , Christian Schulz

While generative models have proved successful in many domains, they may pose a privacy leakage risk in practical deployment. To address this issue, differentially private generative model learning has emerged as a solution to train private…

Computer Vision and Pattern Recognition · Computer Science 2024-08-28 Bochao Liu , Pengju Wang , Weijia Guo , Yong Li , Liansheng Zhuang , Weiping Wang , Shiming Ge

Score-based generative models have emerged as a powerful approach for sampling high-dimensional probability distributions. Despite their effectiveness, their theoretical underpinnings remain relatively underdeveloped. In this work, we study…

Machine Learning · Computer Science 2025-04-22 Daniel Zhengyu Huang , Jiaoyang Huang , Zhengjiang Lin

Score-based generative models, which transform noise into data by learning to reverse a diffusion process, have become a cornerstone of modern generative AI. This paper contributes to establishing theoretical guarantees for the probability…

Machine Learning · Statistics 2025-02-03 Jiaqi Tang , Yuling Yan