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The task of learning a diffusion-based neural sampler for drawing samples from an unnormalized target distribution can be viewed as a stochastic optimal control problem on path measures. However, the training of neural samplers can be…

Machine Learning · Computer Science 2026-05-20 Wei Guo , Jaemoo Choi , Yuchen Zhu , Molei Tao , Yongxin Chen

Learning to sample from complex unnormalized distributions over discrete domains emerged as a promising research direction with applications in statistical physics, variational inference, and combinatorial optimization. Recent work has…

Sampling from discrete distributions with multiple modes and energy barriers is fundamental to machine learning and computational physics. Recent discrete neural samplers like MDNS suffer from mode collapse and fail to sample high-energy…

Neural network approaches for meta-learning distributions over functions have desirable properties such as increased flexibility and a reduced complexity of inference. Building on the successes of denoising diffusion models for generative…

Machine Learning · Statistics 2023-06-08 Vincent Dutordoir , Alan Saul , Zoubin Ghahramani , Fergus Simpson

Message passing neural networks (MPNNs) have emerged as go-to models for learning on graph-structured data in the past decade. Despite their effectiveness, most of such models still incur severe issues such as over-smoothing and…

Machine Learning · Computer Science 2025-11-26 Haoran Zheng , Renchi Yang , Yubo Zhou , Jianliang Xu

In this study, we introduce a domain-decomposition-based distributed training and inference approach for message-passing neural networks (MPNN). Our objective is to address the challenge of scaling edge-based graph neural networks as the…

Machine Learning · Computer Science 2025-02-20 Priyesh Kakka , Sheel Nidhan , Rishikesh Ranade , Jay Pathak , Jonathan F. MacArt

Sampling from unnormalised discrete distributions is a fundamental problem across various domains. While Markov chain Monte Carlo offers a principled approach, it often suffers from slow mixing and poor convergence. In this paper, we…

Machine Learning · Computer Science 2025-10-23 Zijing Ou , Ruixiang Zhang , Yingzhen Li

We propose a novel deterministic sampling method to approximate a target distribution $\rho^*$ by minimizing the kernel discrepancy, also known as the Maximum Mean Discrepancy (MMD). By employing the general \emph{energetic variational…

Machine Learning · Statistics 2025-03-12 Yindong Chen , Yiwei Wang , Lulu Kang , Chun Liu

Diffusion Probabilistic Models (DPMs) are powerful generative models that have achieved unparalleled success in a number of generative tasks. In this work, we aim to build inductive biases into the training and sampling of diffusion models…

Machine Learning · Computer Science 2025-03-14 Thomas Jiralerspong , Berton Earnshaw , Jason Hartford , Yoshua Bengio , Luca Scimeca

We present a selective sampling method designed to accelerate the training of deep neural networks. To this end, we introduce a novel measurement, the minimal margin score (MMS), which measures the minimal amount of displacement an input…

Machine Learning · Computer Science 2019-11-19 Berry Weinstein , Shai Fine , Yacov Hel-Or

Denoising diffusion probabilistic models have recently demonstrated state-of-the-art generative performance and have been used as strong pixel-level representation learners. This paper decomposes the interrelation between the generative…

Computer Vision and Pattern Recognition · Computer Science 2024-04-16 Zixuan Pan , Jianxu Chen , Yiyu Shi

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

A major bottleneck of standard auto-regressive large language models is that their inference process is inherently sequential, resulting in very long and costly inference times. To circumvent this, practitioners proposed a class of language…

Machine Learning · Computer Science 2025-11-11 Sitan Chen , Kevin Cong , Jerry Li

Discrete diffusion models (DDMs) have shown powerful generation ability for discrete data modalities like text and molecules. However, their practical application is hindered by inefficient sampling, requiring a large number of sampling…

Machine Learning · Computer Science 2025-09-25 Feiyang Fu , Tongxian Guo , Zhaoqiang Liu

Masked Diffusion Models (MDMs) have emerged as one of the most promising paradigms for generative modeling over discrete domains. It is known that MDMs effectively train to decode tokens in a random order, and that this ordering has…

Machine Learning · Computer Science 2025-11-25 Prateek Garg , Bhavya Kohli , Sunita Sarawagi

Diffusion Models (DMs), also referred to as score-based diffusion models, utilize neural networks to specify score functions. Unlike most other probabilistic models, DMs directly model the score functions, which makes them more flexible to…

Machine Learning · Computer Science 2023-04-11 Weijian Luo

Accurate noise modelling is important for training of deep learning reconstruction algorithms. While noise models are well known for traditional imaging techniques, the noise distribution of a novel sensor may be difficult to determine a…

Machine Learning · Computer Science 2018-07-11 Felix Horger , Tobias Würfl , Vincent Christlein , Andreas Maier

Markov Chain Monte Carlo (MCMC) methods sample from unnormalized probability distributions and offer guarantees of exact sampling. However, in the continuous case, unfavorable geometry of the target distribution can greatly limit the…

Machine Learning · Statistics 2020-10-09 Zengyi Li , Yubei Chen , Friedrich T. Sommer

The sampling of probability distributions specified up to a normalization constant is an important problem in both machine learning and statistical mechanics. While classical stochastic sampling methods such as Markov Chain Monte Carlo…

Machine Learning · Statistics 2020-10-27 Hao Wu , Jonas Köhler , Frank Noé

In applications of diffusion models, controllable generation is of practical significance, but is also challenging. Current methods for controllable generation primarily focus on modifying the score function of diffusion models, while Mean…

Computer Vision and Pattern Recognition · Computer Science 2025-03-25 Ao Li , Wei Fang , Hongbo Zhao , Le Lu , Ge Yang , Minfeng Xu
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