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Diffusion models have emerged as a powerful class of generative models for molecular design, capable of capturing complex structural distributions and achieving high fidelity in 3D molecule generation. However, their widespread use remains…

Machine Learning · Computer Science 2026-01-15 Adrita Das , Peiran Jiang , Dantong Zhu , Barnabas Poczos , Jose Lugo-Martinez

Score-based diffusion models, which generate new data by learning to reverse a diffusion process that perturbs data from the target distribution into noise, have achieved remarkable success across various generative tasks. Despite their…

Machine Learning · Computer Science 2025-01-23 Gen Li , Yuling Yan

Diffusion-based inverse algorithms have shown remarkable performance across various inverse problems, yet their reliance on numerous denoising steps incurs high computational costs. While recent developments of fast diffusion ODE solvers…

Computer Vision and Pattern Recognition · Computer Science 2025-10-22 Jiawei Zhang , Ziyuan Liu , Leon Yan , Gen Li , Yuantao Gu

SDE-based methods such as denoising diffusion probabilistic models (DDPMs) have shown remarkable success in real-world sample generation tasks. Prior analyses of DDPMs have been focused on the exponential Euler discretization, showing…

Machine Learning · Computer Science 2025-11-10 Matthew S. Zhang , Stephen Huan , Jerry Huang , Nicholas M. Boffi , Sitan Chen , Sinho Chewi

Diffusion models play a pivotal role in contemporary generative modeling, claiming state-of-the-art performance across various domains. Despite their superior sample quality, mainstream diffusion-based stochastic samplers like DDPM often…

Machine Learning · Statistics 2024-10-08 Yuchen Wu , Yuxin Chen , Yuting Wei

Diffusion model-based approaches recently achieved re-markable success in MRI reconstruction, but integration into clinical routine remains challenging due to its time-consuming convergence. This phenomenon is partic-ularly notable when…

Image and Video Processing · Electrical Eng. & Systems 2024-11-07 Yu Guan , Qinrong Cai , Wei Li , Qiuyun Fan , Dong Liang , Qiegen Liu

Using diffusion models to solve inverse problems is a growing field of research. Current methods assume the degradation to be known and provide impressive results in terms of restoration quality and diversity. In this work, we leverage the…

Computer Vision and Pattern Recognition · Computer Science 2025-06-02 Charles Laroche , Andrés Almansa , Eva Coupete

Diffusion Probabilistic Models (DPMs) have emerged as the de facto approach for high-fidelity image synthesis, operating diffusion processes on continuous VAE latent, which significantly differ from the text generation methods employed by…

Computer Vision and Pattern Recognition · Computer Science 2024-12-30 Xiaoping Wu , Jie Hu , Xiaoming Wei

This paper investigates how diffusion generative models leverage (unknown) low-dimensional structure to accelerate sampling. Focusing on two mainstream samplers -- the denoising diffusion implicit model (DDIM) and the denoising diffusion…

Machine Learning · Statistics 2025-06-18 Jiadong Liang , Zhihan Huang , Yuxin Chen

Score-based diffusion models have achieved remarkable empirical success in generating high-quality samples from target data distributions. Among them, the Denoising Diffusion Probabilistic Model (DDPM) is one of the most widely used…

Machine Learning · Statistics 2025-12-16 Yuchen Jiao , Yuchen Zhou , Gen Li

Diffusion-based generative models have emerged as highly effective methods for synthesizing high-quality samples. Recent works have focused on analyzing the convergence of their generation process with minimal assumptions, either through…

Machine Learning · Statistics 2025-08-25 Nishant Jain , Tong Zhang

Diffusion language models enable parallel token generation through block-wise decoding, but their irreversible commitments can lead to stagnation, where the reverse diffusion process fails to make further progress under a suboptimal…

Computation and Language · Computer Science 2026-02-03 Xinyun Wang , Min Zhang , Sen Cui , Zhikang Chen , Bo Jiang , Kun Kuang , Mingbao Lin

Purpose: The Unadjusted Langevin Algorithm (ULA) in combination with diffusion models can generate high quality MRI reconstructions with uncertainty estimation from highly undersampled k-space data. However, sampling methods such as…

Medical Physics · Physics 2026-05-26 Moritz Blumenthal , Tina Holliber , Jonathan I. Tamir , Martin Uecker

We consider the problem of making nonparametric inference in a class of multi-dimensional diffusions in divergence form, from low-frequency data. Statistical analysis in this setting is notoriously challenging due to the intractability of…

Methodology · Statistics 2025-01-23 Matteo Giordano , Sven Wang

We present a latent diffusion-based differentiable inversion method (LD-DIM) for PDE-constrained inverse problems involving high-dimensional spatially distributed coefficients. LD-DIM couples a pretrained latent diffusion prior with an…

Numerical Analysis · Mathematics 2025-12-30 Zihan Lin , QiZhi He

Rectified flow (RF) models have recently demonstrated superior generative performance compared to DDIM-based diffusion models. However, in real-world applications, they suffer from two major challenges: (1) low inversion accuracy that…

Computer Vision and Pattern Recognition · Computer Science 2025-09-17 Weiming Chen , Zhihan Zhu , Yijia Wang , Zhihai He

To sample from a general target distribution $p_*\propto e^{-f_*}$ beyond the isoperimetric condition, Huang et al. (2023) proposed to perform sampling through reverse diffusion, giving rise to Diffusion-based Monte Carlo (DMC).…

Machine Learning · Statistics 2024-01-15 Xunpeng Huang , Difan Zou , Hanze Dong , Yian Ma , Tong Zhang

Diffusion language models offer parallel token generation and inherent bidirectionality, promising more efficient and powerful sequence modeling compared to autoregressive approaches. However, state-of-the-art diffusion models (e.g., Dream…

Computation and Language · Computer Science 2025-10-10 Zhanqiu Hu , Jian Meng , Yash Akhauri , Mohamed S. Abdelfattah , Jae-sun Seo , Zhiru Zhang , Udit Gupta

Despite the proliferation of generative models, achieving fast sampling during inference without compromising sample diversity and quality remains challenging. Existing models such as Denoising Diffusion Probabilistic Models (DDPM) deliver…

Machine Learning · Computer Science 2023-10-12 Yanwu Xu , Mingming Gong , Shaoan Xie , Wei Wei , Matthias Grundmann , Kayhan Batmanghelich , Tingbo Hou

Methods for out-of-distribution (OOD) detection that scale to 3D data are crucial components of any real-world clinical deep learning system. Classic denoising diffusion probabilistic models (DDPMs) have been recently proposed as a robust…

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