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Molecular dynamics (MD) has long been the de facto choice for simulating complex atomistic systems from first principles. Recently deep learning models become a popular way to accelerate MD. Notwithstanding, existing models depend on…

Computational Engineering, Finance, and Science · Computer Science 2023-01-10 Fang Wu , Stan Z. Li

The approximation of probability measures on compact metric spaces and in particular on Riemannian manifoldsby atomic or empirical ones is a classical task in approximation and complexity theory with a wide range of applications. Instead of…

Optimization and Control · Mathematics 2021-01-12 Martin Ehler , Manuel Gräf , Sebastian Neumayer , Gabriele Steidl

This work presents a comprehensive framework for enhanced diffusion modeling in fluid-structure interactions by combining the Immersed Boundary Method (IBM) with stochastic trajectories and high-order spectral boundary conditions. Using…

Analysis of PDEs · Mathematics 2024-10-31 Rômulo Damasclin Chaves dos Santos , Jorge Henrique de Oliveira Sales

We present Manifold Diffusion Fields (MDF), an approach that unlocks learning of diffusion models of data in general non-Euclidean geometries. Leveraging insights from spectral geometry analysis, we define an intrinsic coordinate system on…

Machine Learning · Computer Science 2024-01-23 Ahmed A. Elhag , Yuyang Wang , Joshua M. Susskind , Miguel Angel Bautista

To date, most methods for simulating conditioned diffusions are limited to the Euclidean setting. The conditioned process can be constructed using a change of measure known as Doob's $h$-transform. The specific type of conditioning depends…

Probability · Mathematics 2025-02-24 Marc Corstanje , Frank van der Meulen , Moritz Schauer , Stefan Sommer

The latent space of diffusion model mostly still remains unexplored, despite its great success and potential in the field of generative modeling. In fact, the latent space of existing diffusion models are entangled, with a distorted mapping…

Machine Learning · Computer Science 2024-07-17 Jaehoon Hahm , Junho Lee , Sunghyun Kim , Joonseok Lee

Sampling viable 3D structures (e.g., molecules and point clouds) with SE(3)-invariance using diffusion-based models proved promising in a variety of real-world applications, wherein SE(3)-invariant properties can be naturally characterized…

Machine Learning · Computer Science 2024-03-05 Zihan Zhou , Ruiying Liu , Jiachen Zheng , Xiaoxue Wang , Tianshu Yu

Diffusion Transformers (DiTs) with billions of model parameters form the backbone of popular image and video generation models like DALL.E, Stable-Diffusion and SORA. Though these models are necessary in many low-latency applications like…

Computer Vision and Pattern Recognition · Computer Science 2025-02-21 Vignesh Sundaresha

Diffusion models, a powerful and universal generative AI technology, have achieved tremendous success in computer vision, audio, reinforcement learning, and computational biology. In these applications, diffusion models provide flexible…

Machine Learning · Computer Science 2024-04-12 Minshuo Chen , Song Mei , Jianqing Fan , Mengdi Wang

Bimanual manipulation is crucial in robotics, enabling complex tasks in industrial automation and household services. However, it poses significant challenges due to the high-dimensional action space and intricate coordination requirements.…

We study optimization over Riemannian embedded submanifolds, where the objective function is relatively smooth in the ambient Euclidean space. Such problems have broad applications but are still largely unexplored. We introduce two…

Optimization and Control · Mathematics 2025-08-08 Chang He , Jiaxiang Li , Bo Jiang , Shiqian Ma , Shuzhong Zhang

An efficient simulation framework is proposed to model collective emission in disordered ensembles of quantum emitters. Using a cumulant expansion approach, the computational complexity scales polynomially as opposed to exponentially with…

Optics · Physics 2025-12-17 Qingyi Zhou , Wenxin Wu , Maryam Zahedian , Zongfu Yu , Jennifer T. Choy

Diffusion models for continuous data gained widespread adoption owing to their high quality generation and control mechanisms. However, controllable diffusion on discrete data faces challenges given that continuous guidance methods do not…

Deep generative models learn the data distribution, which is concentrated on a low-dimensional manifold. The geometric analysis of distribution transformation provides a better understanding of data structure and enables a variety of…

Computer Vision and Pattern Recognition · Computer Science 2024-06-28 Junhao Chen , Manyi Li , Zherong Pan , Xifeng Gao , Changhe Tu

In this paper, we study a tensor-based method for the numerical solution of a class of diffusion--reaction equations defined on spatial domains that admit common curvilinear coordinate representations. Typical examples in 2D include disks…

Numerical Analysis · Mathematics 2026-04-14 Marco Caliari , Fabio Cassini

Recent advancements in text-to-image diffusion models have significantly transformed visual content generation, yet their application in specialized fields such as interior design remains underexplored. In this paper, we present…

Computer Vision and Pattern Recognition · Computer Science 2024-09-06 Zhaowei Wang , Ying Hao , Hao Wei , Qing Xiao , Lulu Chen , Yulong Li , Yue Yang , Tianyi Li

We present a framework leveraging a novel variant of the model-based diffusion algorithm to minimize the time required for a redundant dual-arm robot configuration to follow a desired relative Cartesian path. Our prior work proposed a…

Robotics · Computer Science 2026-04-21 Jushan Chen , Jonathan Fried , Santiago Paternain

Many machine learning tasks, such as principal component analysis and low-rank matrix completion, give rise to manifold optimization problems. Although there is a large body of work studying the design and analysis of algorithms for…

Machine Learning · Computer Science 2024-06-13 Jiaojiao Zhang , Jiang Hu , Anthony Man-Cho So , Mikael Johansson

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

This work aims to improve the efficiency of text-to-image diffusion models. While diffusion models use computationally expensive UNet-based denoising operations in every generation step, we identify that not all operations are equally…

Computer Vision and Pattern Recognition · Computer Science 2024-02-21 Amirhossein Habibian , Amir Ghodrati , Noor Fathima , Guillaume Sautiere , Risheek Garrepalli , Fatih Porikli , Jens Petersen