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Estimating three-dimensional conformations of a molecular graph allows insight into the molecule's biological and chemical functions. Fast generation of valid conformations is thus central to molecular modeling. Recent advances in…

Machine Learning · Computer Science 2025-02-18 Sohil Atul Shah , Vladlen Koltun

Scene flow estimation, which aims to predict per-point 3D displacements of dynamic scenes, is a fundamental task in the computer vision field. However, previous works commonly suffer from unreliable correlation caused by locally constrained…

Computer Vision and Pattern Recognition · Computer Science 2024-05-13 Jiuming Liu , Guangming Wang , Weicai Ye , Chaokang Jiang , Jinru Han , Zhe Liu , Guofeng Zhang , Dalong Du , Hesheng Wang

The task of deducing three-dimensional molecular configurations from their two-dimensional graph representations holds paramount importance in the fields of computational chemistry and pharmaceutical development. The rapid advancement of…

Biomolecules · Quantitative Biology 2025-01-09 Bobin Yang , Jie Deng , Zhenghan Chen , Ruoxue Wu

This work presents a forward-only diffusion (FoD) approach for generative modelling. In contrast to traditional diffusion models that rely on a coupled forward-backward diffusion scheme, FoD directly learns data generation through a single…

Machine Learning · Computer Science 2025-09-29 Ziwei Luo , Fredrik K. Gustafsson , Jens Sjölund , Thomas B. Schön

Urban design is a multifaceted process that demands careful consideration of site-specific constraints and collaboration among diverse professionals and stakeholders. The advent of generative artificial intelligence (GenAI) offers…

Artificial Intelligence · Computer Science 2025-06-02 Mingyi He , Yuebing Liang , Shenhao Wang , Yunhan Zheng , Qingyi Wang , Dingyi Zhuang , Li Tian , Jinhua Zhao

The rapid evolution of the fashion industry increasingly intersects with technological advancements, particularly through the integration of generative AI. This study introduces a novel generative pipeline designed to transform the fashion…

Computer Vision and Pattern Recognition · Computer Science 2024-04-30 Abhishek Kumar Singh , Ioannis Patras

Groundbreaking applications such as ChatGPT have heightened research interest in generative artificial intelligence (GAI). Essentially, GAI excels not only in content generation but also in signal processing, offering support for wireless…

Signal Processing · Electrical Eng. & Systems 2024-04-23 Jiacheng Wang , Hongyang Du , Dusit Niyato , Zehui Xiong , Jiawen Kang , Bo Ai , Zhu Han , Dong In Kim

Deep generative models and neural operators have demonstrated significant potential for 3D aerodynamic inference. However, they often face inherent challenges in maintaining physical consistency and preserving high-frequency features,…

Numerical Analysis · Mathematics 2026-04-28 Ruiling Jiang , Yong Zhang , Houbiao Li

The computational cost associated with simulating fluid flows can make it infeasible to run many simulations across multiple flow conditions. Building upon concepts from generative modeling, we introduce a new method for learning neural…

Computational Physics · Physics 2019-12-17 Jeremy Morton , Freddie D. Witherden , Mykel J. Kochenderfer

Neural operators are promising surrogates for dynamical systems but when trained with standard L2 losses they tend to oversmooth fine-scale turbulent structures. Here, we show that combining operator learning with generative modeling…

Quantum computational fluid dynamics (QCFD) offers a promising alternative to classical computational fluid dynamics (CFD) by leveraging quantum algorithms for higher efficiency. This paper introduces a comprehensive QCFD method, including…

A realistic inflow boundary condition is essential for successful simulation of the developing turbulent boundary layer or channel flows. Recent advances in artificial intelligence (AI) have enabled the development of an inflow generator…

Fluid Dynamics · Physics 2020-02-19 Junhyuk Kim , Changhoon Lee

Fluid simulation is an important research topic in computer graphics (CG) and animation in video games. Traditional methods based on Navier-Stokes equations are computationally expensive. In this paper, we treat fluid motion as point cloud…

Computer Vision and Pattern Recognition · Computer Science 2025-01-07 Yu Chen , Shuai Zheng , Nianyi Wang , Menglong Jin , Yan Chang

MeanFlow offers a promising framework for one-step generative modeling by directly learning a mean-velocity field, bypassing expensive numerical integration. However, we find that the highly curved generative trajectories of existing models…

Computer Vision and Pattern Recognition · Computer Science 2026-03-31 Xinxi Zhang , Shiwei Tan , Quang Nguyen , Quan Dao , Ligong Han , Xiaoxiao He , Tunyu Zhang , Chengzhi Mao , Dimitris Metaxas , Vladimir Pavlovic

Generation of graphs is a major challenge for real-world tasks that require understanding the complex nature of their non-Euclidean structures. Although diffusion models have achieved notable success in graph generation recently, they are…

Machine Learning · Computer Science 2024-06-04 Jaehyeong Jo , Dongki Kim , Sung Ju Hwang

Graph-structured data jointly contain discrete topology and continuous geometry, which poses fundamental challenges for generative modeling due to heterogeneous distributions, incompatible noise dynamics, and the need for equivariant…

Machine Learning · Computer Science 2026-04-10 Rongjian Xu , Teng Pang , Zhiqiang Dong , Guoqiang Wu

In recent years, the evolution of artificial intelligence, especially deep learning, has been remarkable, and its application to various fields has been growing rapidly. In this paper, I report the results of the application of generative…

Fluid Dynamics · Physics 2021-09-23 Hiromitsu Kigure

Generating molecular graphs is crucial in drug design and discovery but remains challenging due to the complex interdependencies between nodes and edges. While diffusion models have demonstrated their potentiality in molecular graph design,…

Machine Learning · Computer Science 2024-11-11 Xiaoyang Hou , Tian Zhu , Milong Ren , Dongbo Bu , Xin Gao , Chunming Zhang , Shiwei Sun

Computational fluid dynamics (CFD) drives progress in numerous scientific and engineering fields, yet high-fidelity simulations remain computationally prohibitive. While machine learning approaches offer computing acceleration, they…

Fluid Dynamics · Physics 2025-08-12 Rui Zhang , Qi Meng , Han Wan , Yang Liu , Zhi-Ming Ma , Hao Sun

Diffusion-based generative models have greatly impacted the speech processing field in recent years, exhibiting high speech naturalness and spawning a new research direction. Their application in real-time communication is, however, still…

Signal Processing · Electrical Eng. & Systems 2026-04-22 Simon Welker , Bunlong Lay , Maris Hillemann , Tal Peer , Timo Gerkmann
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