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Denoising diffusion probabilistic models (DDPMs) are becoming the leading paradigm for generative models. It has recently shown breakthroughs in audio synthesis, time series imputation and forecasting. In this paper, we propose…

Machine Learning · Computer Science 2024-10-22 Xinyu Yuan , Yan Qiao

Diffusion Models represent a significant advancement in generative modeling, employing a dual-phase process that first degrades domain-specific information via Gaussian noise and restores it through a trainable model. This framework enables…

Neural and Evolutionary Computing · Computer Science 2024-11-21 Benedikt Hartl , Yanbo Zhang , Hananel Hazan , Michael Levin

Diffusion models (DMs) represent state-of-the-art generative models for continuous inputs. DMs work by constructing a Stochastic Differential Equation (SDE) in the input space (ie, position space), and using a neural network to reverse it.…

Machine Learning · Computer Science 2024-05-14 Tianrong Chen , Jiatao Gu , Laurent Dinh , Evangelos A. Theodorou , Joshua Susskind , Shuangfei Zhai

Two dimensional (2D) materials have emerged as promising functional materials with many applications such as semiconductors and photovoltaics because of their unique optoelectronic properties. While several thousand 2D materials have been…

Materials Science · Physics 2020-12-18 Yuqi Song , Edirisuriya M. Dilanga Siriwardane , Yong Zhao , Jianjun Hu

Diffusion Probabilistic Models (DPMs) have recently demonstrated impressive results on various generative tasks.Despite its promises, the learned representations of pre-trained DPMs, however, have not been fully understood. In this paper,…

Computer Vision and Pattern Recognition · Computer Science 2023-08-23 Xingyi Yang , Xinchao Wang

We address the problem of data augmentation in a rotating turbulence set-up, a paradigmatic challenge in geophysical applications. The goal is to reconstruct information in two-dimensional (2D) cuts of the three-dimensional flow fields,…

Discovering crystal structures with specific chemical properties has become an increasingly important focus in material science. However, current models are limited in their ability to generate new crystal lattices, as they only consider…

Materials Science · Physics 2024-01-12 Astrid Klipfel , Yaël Fregier , Adlane Sayede , Zied Bouraoui

Two-dimensional array-based datasets are pervasive in a variety of domains. Current approaches for generative modeling have typically been limited to conventional image datasets and performed in the pixel domain which do not explicitly…

Machine Learning · Computer Science 2021-07-12 Hoda Shajari , Jaemoon Lee , Sanjay Ranka , Anand Rangarajan

Diffusion probabilistic models have achieved enormous success in the field of image generation and manipulation. In this paper, we explore a novel paradigm of using the diffusion model and classifier guidance in the latent semantic space…

Computer Vision and Pattern Recognition · Computer Science 2023-05-25 Changhao Shi , Haomiao Ni , Kai Li , Shaobo Han , Mingfu Liang , Martin Renqiang Min

The synthesis of crystalline materials, such as zeolites, remains a significant challenge due to a high-dimensional synthesis space, intricate structure-synthesis relationships and time-consuming experiments. Considering the one-to-many…

Diffusion models promise to accelerate material design by directly generating novel structures with desired properties, but existing approaches typically require expensive and substantial labeled data ($>$10,000) and lack adaptability. Here…

Chemical Physics · Physics 2025-11-06 Junwu Chen , Jeff Guo , Edvin Fako , Philippe Schwaller

One of the greatest challenges facing our society is the discovery of new innovative crystal materials with specific properties. Recently, the problem of generating crystal materials has received increasing attention, however, it remains…

Materials Science · Physics 2023-06-08 Astrid Klipfel , Yaël Frégier , Adlane Sayede , Zied Bouraoui

Positron emission tomography (PET) reconstruction is a critical challenge in molecular imaging, often hampered by noise amplification, structural blurring, and detail loss due to sparse sampling and the ill-posed nature of inverse problems.…

Computer Vision and Pattern Recognition · Computer Science 2026-02-13 Mengxiao Geng , Zijie Chen , Ran Hong , Bingxuan Li , Qiegen Liu

Modern video codecs and learning-based approaches struggle for semantic reconstruction at extremely low bit-rates due to reliance on low-level spatiotemporal redundancies. Generative models, especially diffusion models, offer a new paradigm…

Image and Video Processing · Electrical Eng. & Systems 2026-02-06 Maojun Zhang , Haotian Wu , Richeng Jin , Deniz Gunduz , Krystian Mikolajczyk

Conventional meta-atom designs rely heavily on researchers' prior knowledge and trial-and-error searches using full-wave simulations, resulting in time-consuming and inefficient processes. Inverse design methods based on optimization…

Machine Learning · Computer Science 2023-12-11 Zezhou Zhang , Chuanchuan Yang , Yifeng Qin , Hao Feng , Jiqiang Feng , Hongbin Li

High-fidelity spectrum cartography is pivotal for spectrum management and wireless situational awareness, yet it remains a challenging ill-posed inverse problem due to the sparsity and irregularity of observations. Furthermore, existing…

Information Theory · Computer Science 2025-12-24 Yuntong Gu , Xiangming meng , Zhiyuan Lin , Sheng Wu , Linling Kuang

The ability to rapidly develop materials with desired properties has a transformative impact on a broad range of emerging technologies. In this work, we introduce a new framework based on the diffusion model, a recent generative machine…

We introduce a novel, training-free method for sampling differentiable representations (diffreps) using pretrained diffusion models. Rather than merely mode-seeking, our method achieves sampling by "pulling back" the dynamics of the…

Computer Vision and Pattern Recognition · Computer Science 2024-12-11 Yash Savani , Marc Finzi , J. Zico Kolter

Diffusion models currently achieve state-of-the-art performance for both conditional and unconditional image generation. However, so far, image diffusion models do not support tasks required for 3D understanding, such as view-consistent 3D…

Computer Vision and Pattern Recognition · Computer Science 2024-02-22 Titas Anciukevičius , Zexiang Xu , Matthew Fisher , Paul Henderson , Hakan Bilen , Niloy J. Mitra , Paul Guerrero

Image denoising aims to remove noise while preserving structural details and perceptual realism, yet distortion-driven methods often produce over-smoothed reconstructions, especially under strong noise and distribution shift. This paper…

Computer Vision and Pattern Recognition · Computer Science 2026-05-19 Nam Nguyen , Thinh Nguyen , Bella Bose