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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

Diffusion Probabilistic Models (DPMs) are generative models showing competitive performance in various domains, including image synthesis and 3D point cloud generation. Sampling from pre-trained DPMs involves multiple neural function…

Machine Learning · Computer Science 2025-05-21 Vinh Tong , Hoang Trung-Dung , Anji Liu , Guy Van den Broeck , Mathias Niepert

Generative diffusion processes are an emerging and effective tool for image and speech generation. In the existing methods, the underlying noise distribution of the diffusion process is Gaussian noise. However, fitting distributions with…

Signal Processing · Electrical Eng. & Systems 2021-10-13 Eliya Nachmani , Robin San Roman , Lior Wolf

Generative models such as Generative Adversarial Networks (GANs) and Variational Auto-Encoders (VAEs) are widely utilized to model the generative process of user interactions. However, these generative models suffer from intrinsic…

Information Retrieval · Computer Science 2025-06-26 Wenjie Wang , Yiyan Xu , Fuli Feng , Xinyu Lin , Xiangnan He , Tat-Seng Chua

Diffusion models excel at capturing the natural design spaces of images, molecules, DNA, RNA, and protein sequences. However, rather than merely generating designs that are natural, we often aim to optimize downstream reward functions while…

Diffusion models are the mainstream approach for time series generation tasks. However, existing diffusion models for time series generation require retraining the entire framework to introduce specific conditional guidance. There also…

Machine Learning · Computer Science 2025-09-25 Mingchun Sun , Rongqiang Zhao , Hengrui Hu , Songyu Ding , Jie Liu

Denoising Diffusion Probabilistic Models (DDPMs) are a very popular class of deep generative model that have been successfully applied to a diverse range of problems including image and video generation, protein and material synthesis,…

Recently, neural speech codecs (NSCs) trained as generative models have shown superior performance compared to conventional codecs at low bitrates. Although most state-of-the-art NSCs are trained as Generative Adversarial Networks (GANs),…

Sound · Computer Science 2025-04-14 Pietro Foti , Andreas Brendel

Diffusion models are loosely modelled based on non-equilibrium thermodynamics, where \textit{diffusion} refers to particles flowing from high-concentration regions towards low-concentration regions. In statistics, the meaning is quite…

Machine Learning · Computer Science 2023-12-19 Inga Strümke , Helge Langseth

Generative diffusion models have achieved remarkable success in producing high-quality images. However, these models typically operate in continuous intensity spaces, diffusing independently across pixels and color channels. As a result,…

Graphics · Computer Science 2025-05-20 Javier E. Santos , Agnese Marcato , Roman Colman , Nicholas Lubbers , Yen Ting Lin

Reversing a diffusion process by learning its score forms the heart of diffusion-based generative modeling and for estimating properties of scientific systems. The diffusion processes that are tractable center on linear processes with a…

Machine Learning · Computer Science 2024-07-12 Raghav Singhal , Mark Goldstein , Rajesh Ranganath

Diffusion models have achieved huge empirical success in data generation tasks. Recently, some efforts have been made to adapt the framework of diffusion models to discrete state space, providing a more natural approach for modeling…

Machine Learning · Statistics 2024-02-15 Hongrui Chen , Lexing Ying

We study the problem of training neural stochastic differential equations, or diffusion models, to sample from a Boltzmann distribution without access to target samples. Existing methods for training such models enforce time-reversal of the…

Machine Learning · Computer Science 2026-02-05 Julius Berner , Lorenz Richter , Marcin Sendera , Jarrid Rector-Brooks , Nikolay Malkin

Generative AI has received significant attention among a spectrum of diverse industrial and academic domains, thanks to the magnificent results achieved from deep generative models such as generative pre-trained transformers (GPT) and…

Information Theory · Computer Science 2023-10-06 Mehdi Letafati , Samad Ali , Matti Latva-aho

Image generative models, particularly diffusion-based models, have surged in popularity due to their remarkable ability to synthesize highly realistic images. However, since these models are data-driven, they inherit biases from the…

Machine Learning · Computer Science 2025-03-18 Lin-Chun Huang , Ching Chieh Tsao , Fang-Yi Su , Jung-Hsien Chiang

Diffusion models have emerged as powerful generative tools, rivaling GANs in sample quality and mirroring the likelihood scores of autoregressive models. A subset of these models, exemplified by DDIMs, exhibit an inherent asymmetry: they…

Computer Vision and Pattern Recognition · Computer Science 2024-01-24 Yixuan Wang , Shuangyin Li

Diffusion models have garnered significant attention since they can effectively learn complex multivariate Gaussian distributions, resulting in diverse, high-quality outcomes. They introduce Gaussian noise into training data and reconstruct…

Computer Vision and Pattern Recognition · Computer Science 2023-12-27 Vidya Prasad , Chen Zhu-Tian , Anna Vilanova , Hanspeter Pfister , Nicola Pezzotti , Hendrik Strobelt

Diffusion models have demonstrated powerful data generation capabilities in various research fields such as image generation. However, in the field of vibration signal generation, the criteria for evaluating the quality of the generated…

Machine Learning · Computer Science 2024-07-02 Haiming Yi , Lei Hou , Yuhong Jin , Nasser A. Saeed , Ali Kandil , Hao Duan

Despite their outstanding performance in a broad spectrum of real-world tasks, deep artificial neural networks are sensitive to input noises, particularly adversarial perturbations. On the contrary, human and animal brains are much less…

Neural and Evolutionary Computing · Computer Science 2022-05-23 Xiyuan Chen , Xingyu Li , Yi Zhou , Tianming Yang

Forecasting on sparse multivariate time series (MTS) aims to model the predictors of future values of time series given their incomplete past, which is important for many emerging applications. However, most existing methods process MTS's…

Machine Learning · Computer Science 2021-03-04 Yinjun Wu , Jingchao Ni , Wei Cheng , Bo Zong , Dongjin Song , Zhengzhang Chen , Yanchi Liu , Xuchao Zhang , Haifeng Chen , Susan Davidson