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This study investigates the effects of Markov chain Monte Carlo (MCMC) sampling in unsupervised Maximum Likelihood (ML) learning. Our attention is restricted to the family of unnormalized probability densities for which the negative log…

Machine Learning · Statistics 2019-12-02 Erik Nijkamp , Mitch Hill , Tian Han , Song-Chun Zhu , Ying Nian Wu

Sampling from an unnormalized probability distribution is a fundamental problem in machine learning with applications including Bayesian modeling, latent factor inference, and energy-based model training. After decades of research,…

Machine Learning · Computer Science 2022-01-03 Greg Ver Steeg , Aram Galstyan

Energy-based models (EBMs) are versatile density estimation models that directly parameterize an unnormalized log density. Although very flexible, EBMs lack a specified normalization constant of the model, making the likelihood of the model…

Machine Learning · Computer Science 2024-02-20 Louis Grenioux , Éric Moulines , Marylou Gabrié

Energy-based models (EBMs) are a powerful class of probabilistic generative models due to their flexibility and interpretability. However, relationships between potential flows and explicit EBMs remain underexplored, while contrastive…

Molecular Dynamics (MD) simulations are fundamental computational tools for the study of proteins and their free energy landscapes. However, sampling protein conformational changes through MD simulations is challenging due to the relatively…

Biomolecules · Quantitative Biology 2023-07-20 Diego E. Kleiman , Hassan Nadeem , Diwakar Shukla

Energy-based models (EBMs) offer a flexible framework for parameterizing probability distributions using neural networks. However, learning EBMs by exact maximum likelihood estimation (MLE) is generally intractable, due to the need to…

Machine Learning · Computer Science 2025-08-20 Michael E. Sander , Vincent Roulet , Tianlin Liu , Mathieu Blondel

We address the challenge of training diffusion models to sample from unnormalized energy distributions in the absence of data, the so-called diffusion samplers. Although these approaches have shown promise, they struggle to scale in more…

Machine Learning · Computer Science 2025-11-07 Minkyu Kim , Kiyoung Seong , Dongyeop Woo , Sungsoo Ahn , Minsu Kim

We study a new approach to learning energy-based models (EBMs) based on adversarial training (AT). We show that (binary) AT learns a special kind of energy function that models the support of the data distribution, and the learning process…

Machine Learning · Computer Science 2022-12-29 Xuwang Yin , Shiying Li , Gustavo K. Rohde

Sampling-based methods have become a cornerstone of contemporary approaches to Model Predictive Control (MPC), as they make no restrictions on the differentiability of the dynamics or cost function and are straightforward to parallelize.…

Robotics · Computer Science 2022-12-07 Jacob Sacks , Byron Boots

Energy-Based Models (EBMs) have proven to be a highly effective approach for modelling densities on finite-dimensional spaces. Their ability to incorporate domain-specific choices and constraints into the structure of the model through…

Machine Learning · Computer Science 2023-02-24 Jen Ning Lim , Sebastian Vollmer , Lorenz Wolf , Andrew Duncan

We present a new method of training energy-based models (EBMs) for anomaly detection that leverages low-dimensional structures within data. The proposed algorithm, Manifold Projection-Diffusion Recovery (MPDR), first perturbs a data point…

Machine Learning · Computer Science 2023-10-31 Sangwoong Yoon , Young-Uk Jin , Yung-Kyun Noh , Frank C. Park

Energy-Based Models (EBMs) allow for extremely flexible specifications of probability distributions. However, they do not provide a mechanism for obtaining exact samples from these distributions. Monte Carlo techniques can aid us in…

Machine Learning · Computer Science 2021-12-13 Bryan Eikema , Germán Kruszewski , Hady Elsahar , Marc Dymetman

Generative models have shown strong generation ability while efficient likelihood estimation is less explored. Energy-based models~(EBMs) define a flexible energy function to parameterize unnormalized densities efficiently but are notorious…

Machine Learning · Computer Science 2024-06-11 Cong Geng , Tian Han , Peng-Tao Jiang , Hao Zhang , Jinwei Chen , Søren Hauberg , Bo Li

The ensemble average of physical properties of molecules is closely related to the distribution of molecular conformations, and sampling such distributions is a fundamental challenge in physics and chemistry. Traditional methods like…

Machine Learning · Computer Science 2025-08-06 Liya Guo , Zun Wang , Chang Liu , Junzhe Li , Pipi Hu , Yi Zhu

Energy-Based Models (EBMs) offer a versatile framework for modeling complex data distributions. However, training and sampling from EBMs continue to pose significant challenges. The widely-used Denoising Score Matching (DSM) method for…

Machine Learning · Statistics 2024-03-20 Mingtian Zhang , Alex Hawkins-Hooker , Brooks Paige , David Barber

Energy-based models (EBM) have become increasingly popular within computer vision. EBMs bring a probabilistic approach to training deep neural networks (DNN) and have been shown to enhance performance in areas such as calibration,…

Machine Learning · Computer Science 2023-04-05 Jacob Piland , Christopher Sweet , Priscila Saboia , Charles Vardeman , Adam Czajka

This paper studies the fundamental problem of learning energy-based model (EBM) in the latent space of the generator model. Learning such prior model typically requires running costly Markov Chain Monte Carlo (MCMC). Instead, we propose to…

Machine Learning · Computer Science 2022-09-20 Zhisheng Xiao , Tian Han

Energy-based models (EBMs) are a flexible class of deep generative models and are well-suited to capture complex dependencies in multimodal data. However, learning multimodal EBM by maximum likelihood requires Markov Chain Monte Carlo…

Machine Learning · Computer Science 2026-05-04 Jiali Cui , Zhiqiang Lao , Heather Yu

Energy-based models (EBMs) are generative models inspired by statistical physics with a wide range of applications in unsupervised learning. Their performance is best measured by the cross-entropy (CE) of the model distribution relative to…

Machine Learning · Computer Science 2023-12-14 Davide Carbone , Mengjian Hua , Simon Coste , Eric Vanden-Eijnden

Energy-based models (EBMs) are generative models that are usually trained via maximum likelihood estimation. This approach becomes challenging in generic situations where the trained energy is non-convex, due to the need to sample the Gibbs…

Machine Learning · Computer Science 2022-02-16 Carles Domingo-Enrich , Alberto Bietti , Marylou Gabrié , Joan Bruna , Eric Vanden-Eijnden