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We tackle the problem of sampling from intractable high-dimensional density functions, a fundamental task that often appears in machine learning and statistics. We extend recent sampling-based approaches that leverage controlled stochastic…

机器学习 · 计算机科学 2024-03-12 Dinghuai Zhang , Ricky T. Q. Chen , Cheng-Hao Liu , Aaron Courville , Yoshua Bengio

Critical slowing down and topological freezing severely hinder Monte Carlo sampling of lattice field theories as the continuum limit is approached. Recently, significant progress has been made in applying a class of generative machine…

高能物理 - 格点 · 物理学 2024-01-25 Gurtej Kanwar

Discrete Flow-based Models (DFMs) are powerful generative models for high-quality discrete data but typically suffer from slow sampling speeds due to their reliance on iterative decoding processes. This reliance on a multi-step process…

机器学习 · 计算机科学 2025-10-21 Jaehoon Yoo , Wonjung Kim , Seunghoon Hong

Molecular conformer generation is a fundamental task in computational chemistry. Several machine learning approaches have been developed, but none have outperformed state-of-the-art cheminformatics methods. We propose torsional diffusion, a…

化学物理 · 物理学 2023-03-02 Bowen Jing , Gabriele Corso , Jeffrey Chang , Regina Barzilay , Tommi Jaakkola

We present a generative modeling framework for synthesizing physically feasible two-dimensional incompressible flows under arbitrary obstacle geometries and boundary conditions. Whereas existing diffusion-based flow generators either ignore…

流体动力学 · 物理学 2026-02-23 Noah Trupin , Rahul Ghosh , Aadi Jangid

This paper provides an elementary, self-contained analysis of diffusion-based sampling methods for generative modeling. In contrast to existing approaches that rely on continuous-time processes and then discretize, our treatment works…

机器学习 · 统计学 2025-06-25 Galen Reeves , Henry D. Pfister

Turbulent flows posses broadband, power-law spectra in which multiscale interactions couple high-wavenumber fluctuations to large-scale dynamics. Although diffusion-based generative models offer a principled probabilistic forecasting…

流体动力学 · 物理学 2025-12-11 Anish Sambamurthy , Ashesh Chattopadhyay

We show that deliberately breaking detailed balance in generative diffusion processes can accelerate the reverse process without changing the stationary distribution. Considering the Ornstein--Uhlenbeck process, we decompose the dynamics…

统计力学 · 物理学 2026-02-19 Haiqi Lu , Ying Tang

Flow-matching models have enabled high-quality text-to-speech synthesis, but their iterative sampling process during inference incurs substantial computational cost. Although distillation is widely used to reduce the number of inference…

声音 · 计算机科学 2026-02-11 Bin Lin , Peng Yang , Chao Yan , Xiaochen Liu , Wei Wang , Boyong Wu , Pengfei Tan , Xuerui Yang

Diffusion models have emerged as a powerful paradigm for modern generative modeling, demonstrating strong potential for large language models (LLMs). Unlike conventional autoregressive (AR) models that generate tokens sequentially,…

机器学习 · 计算机科学 2026-01-09 Gen Li , Changxiao Cai

Boltzmann machine is a powerful machine learning model with many real-world applications, for example by constructing deep belief networks. Statistical inference on a Boltzmann machine can be carried out by sampling from its posterior…

量子物理 · 物理学 2023-11-23 Mārtiņš Kālis , Andris Locāns , Rolands Šikovs , Hassan Naseri , Andris Ambainis

Graph generation has emerged as a critical task in fields ranging from drug discovery to circuit design. Contemporary approaches, notably diffusion and flow-based models, have achieved solid graph generative performance through constructing…

机器学习 · 计算机科学 2026-03-06 Keyue Jiang , Jiahao Cui , Xiaowen Dong , Laura Toni

Boltzmann machines (BMs) are powerful energy-based generative models, but their heavy training cost has largely confined practical use to Restricted BMs (RBMs) trained with an efficient learning method called contrastive divergence. More…

机器学习 · 计算机科学 2025-12-03 Kentaro Kubo , Hayato Goto

Flow-based generative models have greatly improved text-to-speech (TTS) synthesis quality, but inference speed remains limited by the iterative sampling process and multiple function evaluations (NFE). The recent MeanFlow model accelerates…

声音 · 计算机科学 2025-10-10 Wei Wang , Rong Cao , Yi Guo , Zhengyang Chen , Kuan Chen , Yuanyuan Huo

Simulation-free training frameworks have been at the forefront of the generative modelling revolution in continuous spaces, leading to large-scale diffusion and flow matching models. However, such modern generative models suffer from…

Sampling a probability distribution with an unknown normalization constant is a fundamental problem in computational science and engineering. This task may be cast as an optimization problem over all probability measures, and an initial…

机器学习 · 统计学 2024-09-12 Yifan Chen , Daniel Zhengyu Huang , Jiaoyang Huang , Sebastian Reich , Andrew M. Stuart

Deep learning models remain vulnerable to spurious correlations, leading to so-called Clever Hans predictors that undermine robustness even in large-scale foundation and self-supervised models. Group distributional robustness methods, such…

Sampling from unnormalized densities using diffusion models has emerged as a powerful paradigm. However, while recent approaches that use least-squares `matching' objectives have improved scalability, they often necessitate significant…

机器学习 · 计算机科学 2026-03-03 Denis Blessing , Lorenz Richter , Julius Berner , Egor Malitskiy , Gerhard Neumann

Recent years witnessed the development of powerful generative models based on flows, diffusion or autoregressive neural networks, achieving remarkable success in generating data from examples with applications in a broad range of areas. A…

无序系统与神经网络 · 物理学 2024-07-22 Davide Ghio , Yatin Dandi , Florent Krzakala , Lenka Zdeborová

Flow-based generative models are a family of exact log-likelihood models with tractable sampling and latent-variable inference, hence conceptually attractive for modeling complex distributions. However, flow-based models are limited by…

机器学习 · 计算机科学 2019-05-09 Huadong Liao , Jiawei He , Kunxian Shu