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Training energy-based models (EBMs) on high-dimensional data can be both challenging and time-consuming, and there exists a noticeable gap in sample quality between EBMs and other generative frameworks like GANs and diffusion models. To…

Machine Learning · Statistics 2024-11-12 Yaxuan Zhu , Jianwen Xie , Yingnian Wu , Ruiqi Gao

Iterative generative models such as Flow Matching and Diffusion models have demonstrated strong test-time scaling behavior, where additional inference computation can improve generation quality. In contrast, Drift Models offer efficient…

Machine Learning · Computer Science 2026-05-19 Chenrui Ma , Xi Xiao , Lin Zhao , Tianyang Wang , Ferdinando Fioretto , Yanning Shen

Energy-Based Models (EBMs), also known as non-normalized probabilistic models, specify probability density or mass functions up to an unknown normalizing constant. Unlike most other probabilistic models, EBMs do not place a restriction on…

Machine Learning · Computer Science 2021-02-19 Yang Song , Diederik P. Kingma

We introduce the Generalized Energy Based Model (GEBM) for generative modelling. These models combine two trained components: a base distribution (generally an implicit model), which can learn the support of data with low intrinsic…

Machine Learning · Statistics 2021-12-22 Michael Arbel , Liang Zhou , Arthur Gretton

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

While denoising diffusion and flow matching have driven major advances in generative modeling, their application to tabular data remains limited, despite its ubiquity in real-world applications. To this end, we develop TabbyFlow, a…

Machine Learning · Computer Science 2025-10-06 Andrés Guzmán-Cordero , Floor Eijkelboom , Jan-Willem van de Meent

The biological functions of proteins often depend on dynamic structural ensembles. In this work, we develop a flow-based generative modeling approach for learning and sampling the conformational landscapes of proteins. We repurpose highly…

Biomolecules · Quantitative Biology 2024-09-04 Bowen Jing , Bonnie Berger , Tommi Jaakkola

Despite remarkable progress in autoregressive language models, alternative generative paradigms beyond left-to-right generation are still being actively explored. Discrete diffusion models, with the capacity for parallel generation, have…

Computation and Language · Computer Science 2025-03-10 Minkai Xu , Tomas Geffner , Karsten Kreis , Weili Nie , Yilun Xu , Jure Leskovec , Stefano Ermon , Arash Vahdat

Exploring molecular energy landscapes and identifying ground-state conformations are central challenges in computational chemistry. However, generating diverse low-energy conformers from molecular graphs remains expensive with traditional…

Machine Learning · Computer Science 2026-05-25 Guikun Xu , Xiaohan Yi , Ziqiao Meng , Peilin Zhao , Yatao Bian

Energy-based models (EBMs) exhibit a variety of desirable properties in predictive tasks, such as generality, simplicity and compositionality. However, training EBMs on high-dimensional datasets remains unstable and expensive. In this…

Computer Vision and Pattern Recognition · Computer Science 2023-03-09 Xiulong Yang , Shihao Ji

Implicit policies parameterized by generative models, such as Diffusion Policy, have become the standard for policy learning and Vision-Language-Action (VLA) models in robotics. However, these approaches often suffer from high computational…

Robotics · Computer Science 2025-11-03 Travis Davies , Yiqi Huang , Alexi Gladstone , Yunxin Liu , Xiang Chen , Heng Ji , Huxian Liu , Luhui Hu

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

Recently there has been growing interest in modeling sets with exchangeability such as point clouds. A shortcoming of current approaches is that they restrict the cardinality of the sets considered or can only express limited forms of…

Machine Learning · Computer Science 2020-12-14 Mengjiao Yang , Bo Dai , Hanjun Dai , Dale Schuurmans

This paper proposes a novel method, Explicit Flow Matching (ExFM), for training and analyzing flow-based generative models. ExFM leverages a theoretically grounded loss function, ExFM loss (a tractable form of Flow Matching (FM) loss), to…

Machine Learning · Computer Science 2024-07-03 Gleb Ryzhakov , Svetlana Pavlova , Egor Sevriugov , Ivan Oseledets

Energy based models (EBMs) are appealing due to their generality and simplicity in likelihood modeling, but have been traditionally difficult to train. We present techniques to scale MCMC based EBM training on continuous neural networks,…

Machine Learning · Computer Science 2020-07-01 Yilun Du , Igor Mordatch

Energy-based models (EBMs) have become increasingly popular within computer vision in recent years. While they are commonly employed for generative image modeling, recent work has applied EBMs also for regression tasks, achieving…

Computer Vision and Pattern Recognition · Computer Science 2020-08-17 Fredrik K. Gustafsson , Martin Danelljan , Radu Timofte , Thomas B. Schön

Modern vision generators transport a base distribution to data through time-indexed measures, implemented as deterministic flows (ODEs) or stochastic diffusions (SDEs). Despite strong empirical performance, standard flow-matching objectives…

Machine Learning · Computer Science 2026-02-27 Chika Maduabuchi

In this paper, we propose conjugate energy-based models (CEBMs), a new class of energy-based models that define a joint density over data and latent variables. The joint density of a CEBM decomposes into an intractable distribution over…

Machine Learning · Computer Science 2021-06-28 Hao Wu , Babak Esmaeili , Michael Wick , Jean-Baptiste Tristan , Jan-Willem van de Meent

Flow Matching (FM) is a simulation-free method for learning a continuous and invertible flow to interpolate between two distributions, and in particular to generate data from noise. Inspired by the variational nature of the diffusion…

Machine Learning · Statistics 2025-07-14 Chen Xu , Xiuyuan Cheng , Yao Xie

Protein dynamics play a crucial role in protein biological functions and properties, and their traditional study typically relies on time-consuming molecular dynamics (MD) simulations conducted in silico. Recent advances in generative…

Biomolecules · Quantitative Biology 2025-06-02 Jiarui Lu , Xiaoyin Chen , Stephen Zhewen Lu , Aurélie Lozano , Vijil Chenthamarakshan , Payel Das , Jian Tang