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Graph generation is a critical yet challenging task, as empirical analyses require a deep understanding of complex, non-Euclidean structures. Diffusion models have recently made significant advances in graph generation, but these models are…

Machine Learning · Computer Science 2026-03-13 Yiming Huang , Tolga Birdal

We present a diffusion-based, generative model for conformer generation. Our model is focused on the reproduction of bonded structure and is constructed from the associated terms traditionally found in classical force fields to ensure a…

Biomolecules · Quantitative Biology 2024-03-18 David C. Williams , Neil Inala

Rectified flow is a generative model that learns smooth transport mappings between two distributions through an ordinary differential equation (ODE). Unlike diffusion-based generative models, which require costly numerical integration of a…

Computer Vision and Pattern Recognition · Computer Science 2025-12-16 Shin Seong Kim , Mingi Kwon , Jaeseok Jeong , Youngjung Uh

Generative modeling has drawn much attention in creative and scientific data generation tasks. Score-based Diffusion Models, a type of generative model that iteratively learns to denoise data, have shown state-of-the-art results on tasks…

Robotics · Computer Science 2024-05-21 Tyler Presser , Agnimitra Dasgupta , Daniel Erwin , Assad Oberai

The Origin-Destination~(OD) networks provide an estimation of the flow of people from every region to others in the city, which is an important research topic in transportation, urban simulation, etc. Given structural regional urban…

Machine Learning · Computer Science 2023-06-12 Can Rong , Jingtao Ding , Zhicheng Liu , Yong Li

Deep generative models such as flow matching and diffusion models have shown great potential in learning complex distributions and dynamical systems, but often act as black-boxes, neglecting underlying physics. In contrast, physics-based…

Machine Learning · Computer Science 2026-04-28 Gurjeet Sangra Singh , Frantzeska Lavda , Giangiacomo Mercatali , Alexandros Kalousis

State-of-the-art diffusion models can generate highly realistic images based on various conditioning like text, segmentation, and depth. However, an essential aspect often overlooked is the specific camera geometry used during image…

Computer Vision and Pattern Recognition · Computer Science 2024-07-16 Andrey Voynov , Amir Hertz , Moab Arar , Shlomi Fruchter , Daniel Cohen-Or

Recent advances in infinite-dimensional diffusion models have demonstrated their effectiveness and scalability in function generation tasks where the underlying structure is inherently infinite-dimensional. To accelerate inference in such…

Machine Learning · Computer Science 2025-03-14 Kunwoo Na , Junghyun Lee , Se-Young Yun , Sungbin Lim

Generative diffusion models showed high success in many fields with a powerful theoretical background. They convert the data distribution to noise and remove the noise back to obtain a similar distribution. Many existing reviews focused on…

Machine Learning · Computer Science 2024-09-19 Melike Nur Yeğin , Mehmet Fatih Amasyalı

Generative models are now widely used by graphic designers and artists. Prior works have shown that these models remember and often replicate content from their training data during generation. Hence as their proliferation increases, it has…

Computer Vision and Pattern Recognition · Computer Science 2024-04-02 Gowthami Somepalli , Anubhav Gupta , Kamal Gupta , Shramay Palta , Micah Goldblum , Jonas Geiping , Abhinav Shrivastava , Tom Goldstein

Generative models hold the promise of significantly expediting the materials design process when compared to traditional human-guided or rule-based methodologies. However, effectively generating high-quality periodic structures of materials…

Materials Science · Physics 2024-08-15 Anshuman Sinha , Shuyi Jia , Victor Fung

Disordered metamaterials are promising for programming physical properties across diverse applications, yet their inverse design remains challenging due to the non-intuitive structure-property relationships and large design spaces. Recent…

Computational Engineering, Finance, and Science · Computer Science 2026-03-18 Ziyuan Xie , Weipeng Xu , Dazhi Zhao , Wenchang Zhang , Daoyang Dong , Bingbing Xu , Ning Liu , Sheng Mao , Tianju Xue

Popularized by their strong image generation performance, diffusion and related methods for generative modeling have found widespread success in visual media applications. In particular, diffusion methods have enabled new approaches to data…

Image and Video Processing · Electrical Eng. & Systems 2026-01-28 Yibo Yang , Stephan Mandt

Cloth manipulation is challenging due to its highly complex dynamics, near-infinite degrees of freedom, and frequent self-occlusions, which complicate both state estimation and dynamics modeling. Inspired by recent advances in generative…

Robotics · Computer Science 2025-09-03 Tongxuan Tian , Haoyang Li , Bo Ai , Xiaodi Yuan , Zhiao Huang , Hao Su

Diffusion models have had a profound impact on many application areas, including those where data are intrinsically infinite-dimensional, such as images or time series. The standard approach is first to discretize and then to apply…

Machine Learning · Statistics 2025-06-09 Jakiw Pidstrigach , Youssef Marzouk , Sebastian Reich , Sven Wang

Diffusion-based generative models have achieved promising results recently, but raise an array of open questions in terms of conceptual understanding, theoretical analysis, algorithm improvement and extensions to discrete, structured,…

Machine Learning · Computer Science 2022-09-01 Xingchao Liu , Lemeng Wu , Mao Ye , Qiang Liu

We present an investigation into diffusion models for molecular generation, with the aim of better understanding how their predictions compare to the results of physics-based calculations. The investigation into these models is driven by…

Diffusion models have recently shown great promise for generative modeling, outperforming GANs on perceptual quality and autoregressive models at density estimation. A remaining downside is their slow sampling time: generating high quality…

Machine Learning · Computer Science 2022-06-08 Tim Salimans , Jonathan Ho

How do diffusion generative models convert pure noise into meaningful images? In a variety of pretrained diffusion models (including conditional latent space models like Stable Diffusion), we observe that the reverse diffusion process that…

Computer Vision and Pattern Recognition · Computer Science 2024-03-27 Binxu Wang , John J. Vastola

Recent years have witnessed significant progress in developing effective training and fast sampling techniques for diffusion models. A remarkable advancement is the use of stochastic differential equations (SDEs) and their…

Computer Vision and Pattern Recognition · Computer Science 2024-08-26 Defang Chen , Zhenyu Zhou , Jian-Ping Mei , Chunhua Shen , Chun Chen , Can Wang