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Molecular dynamics (MD) is a powerful technique for studying microscopic phenomena, but its computational cost has driven significant interest in the development of deep learning-based surrogate models. We introduce generative modeling of…

Biomolecules · Quantitative Biology 2024-09-27 Bowen Jing , Hannes Stärk , Tommi Jaakkola , Bonnie Berger

This study introduces the Conditional Neural Field Latent Diffusion (CoNFiLD) model, a novel generative learning framework designed for rapid simulation of intricate spatiotemporal dynamics in chaotic and turbulent systems within…

Fluid Dynamics · Physics 2024-03-18 Pan Du , Meet Hemant Parikh , Xiantao Fan , Xin-Yang Liu , Jian-Xun Wang

Temporal volume images with 3D+t (4D) information are often used in medical imaging to statistically analyze temporal dynamics or capture disease progression. Although deep-learning-based generative models for natural images have been…

Image and Video Processing · Electrical Eng. & Systems 2022-06-28 Boah Kim , Jong Chul Ye

Optimization and uncertainty quantification have been playing an increasingly important role in computational hemodynamics. However, existing methods based on principled modeling and classic numerical techniques have faced significant…

Medical Physics · Physics 2022-09-07 Pan Du , Xiaozhi Zhu , Jian-Xun Wang

Physically plausible fluid simulations play an important role in modern computer graphics and engineering. However, in order to achieve real-time performance, computational speed needs to be traded-off with physical accuracy. Surrogate…

Fluid Dynamics · Physics 2021-05-19 Nils Wandel , Michael Weinmann , Reinhard Klein

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

The present research proposes a new memory-efficient method using diffusion models to inject turbulent inflow conditions into Large Eddy Simulation (LES) and Direct Numerical Simulation (DNS) for various flow problems. A guided diffusion…

This study proposes a newly-developed deep-learning-based method to generate turbulent inflow conditions for spatially-developing turbulent boundary layer (TBL) simulations. A combination of a transformer and a multiscale-enhanced…

Fluid Dynamics · Physics 2023-03-22 Mustafa Z. Yousif , Meng Zhang , Linqi Yu , Ricardo Vinuesa , HeeChang Lim

We propose a new class of generative diffusion models, called functional diffusion. In contrast to previous work, functional diffusion works on samples that are represented by functions with a continuous domain. Functional diffusion can be…

Computer Vision and Pattern Recognition · Computer Science 2023-11-28 Biao Zhang , Peter Wonka

Understanding and predicting the progression of neurodegenerative diseases remains a major challenge in medical AI, with significant implications for early diagnosis, disease monitoring, and treatment planning. However, most available…

Computer Vision and Pattern Recognition · Computer Science 2026-04-27 Nivetha Jayakumar , Swakshar Deb , Bahram Jafrasteh , Qingyu Zhao , Miaomiao Zhang

Diffusion-based generative modeling has been achieving state-of-the-art results on various generation tasks. Most diffusion models, however, are limited to a single-generation modeling. Can we generalize diffusion models with the ability of…

Computer Vision and Pattern Recognition · Computer Science 2024-09-26 Changyou Chen , Han Ding , Bunyamin Sisman , Yi Xu , Ouye Xie , Benjamin Z. Yao , Son Dinh Tran , Belinda Zeng

Machine learning-based unfolding has enabled unbinned and high-dimensional differential cross section measurements. Two main approaches have emerged in this research area: one based on discriminative models and one based on generative…

High Energy Physics - Phenomenology · Physics 2026-03-27 Sascha Diefenbacher , Guan-Horng Liu , Vinicius Mikuni , Benjamin Nachman , Weili Nie

Generating samples from limited information is a fundamental problem across scientific domains. Classical maximum entropy methods provide principled uncertainty quantification from moment constraints but require sampling via MCMC or…

Generative models on discrete state-spaces have a wide range of potential applications, particularly in the domain of natural sciences. In continuous state-spaces, controllable and flexible generation of samples with desired properties has…

Machine Learning · Computer Science 2025-03-27 Hunter Nisonoff , Junhao Xiong , Stephan Allenspach , Jennifer Listgarten

Many data-driven decision problems are formulated using a nominal distribution estimated from historical data, while performance is ultimately determined by a deployment distribution that may be shifted, context-dependent, partially…

Machine Learning · Computer Science 2026-04-07 Xiuyuan Cheng , Yunqin Zhu , Yao Xie

In this study, we introduce a novel approach to synthesizing subsurface velocity models using diffusion generative models. Conventional methods rely on extensive, high-quality datasets, which are often inaccessible in subsurface…

Geophysics · Physics 2024-06-11 Huseyin Tuna Erdinc , Rafael Orozco , Felix J. Herrmann

We propose a novel denoising diffusion generative model for predicting nonlinear fluid fields named FluidDiff. By performing a diffusion process, the model is able to learn a complex representation of the high-dimensional dynamic system,…

Machine Learning · Computer Science 2023-01-31 Gefan Yang , Stefan Sommer

Unbounded 3D world generation is emerging as a foundational task for scene modeling in computer vision, graphics, and robotics. In this work, we present WorldFlow3D, a novel method capable of generating unbounded 3D worlds. Building upon a…

Computer Vision and Pattern Recognition · Computer Science 2026-04-01 Amogh Joshi , Julian Ost , Felix Heide

We present a generative modeling framework for synthesizing physically feasible two-dimensional incompressible flows under arbitrary obstacle geometries and boundary conditions. Whereas existing diffusion-based flow generators either ignore…

Fluid Dynamics · Physics 2026-02-23 Noah Trupin , Rahul Ghosh , Aadi Jangid

The astonishing growth of generative tools in recent years has empowered many exciting applications in text-to-image generation and text-to-video generation. The underlying principle behind these generative tools is the concept of…

Machine Learning · Computer Science 2025-01-09 Stanley H. Chan