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Diffusion Transformers (DiTs) have demonstrated strong performance in generative modeling, particularly in image synthesis, making them a compelling choice for molecular conformer generation. However, applying DiTs to molecules introduces…

Machine Learning · Computer Science 2025-11-12 J. Thorben Frank , Winfried Ripken , Gregor Lied , Klaus-Robert Müller , Oliver T. Unke , Stefan Chmiela

Computer simulations are used to generate two-dimensional diffusion-limited deposits of dipoles. The structure of these deposits is analyzed by measuring some global quantities: the density of the deposit and the lateral correlation…

Statistical Mechanics · Physics 2009-11-11 M. Tasinkevych , J. M. Tavares , F. de los Santos

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

This paper introduces a novel hierarchical autoencoder that maps 3D models into a highly compressed latent space. The hierarchical autoencoder is specifically designed to tackle the challenges arising from large-scale datasets and…

Computer Vision and Pattern Recognition · Computer Science 2024-10-03 Biao Zhang , Peter Wonka

We provide the first generic exact simulation algorithm for multivariate diffusions. Current exact sampling algorithms for diffusions require the existence of a transformation which can be used to reduce the sampling problem to the case of…

Probability · Mathematics 2026-01-14 Jose Blanchet , Fan Zhang

The Internal Diffusion Limited Aggregation has been introduced by Diaconis and Fulton in 1991. It is a growth model defined on an infinite set and associated to a Markov chain on this set. We focus here on sets which are finitely generated…

Probability · Mathematics 2007-05-23 Sebastien Blachere , Sara Brofferio

The discrete fracture model (DFM) has been widely used in the simulation of fluid flow in fractured porous media. Traditional DFM uses the so-called hybrid-dimensional approach to treat fractures explicitly as low-dimensional entries (e.g.…

Numerical Analysis · Mathematics 2021-02-01 Ziyao Xu , Yang Yang

Downscaling techniques are one of the most prominent applications of Deep Learning (DL) in Earth System Modeling. A robust DL downscaling model can generate high-resolution fields from coarse-scale numerical model simulations, saving the…

Machine Learning · Computer Science 2025-08-28 Elena Tomasi , Gabriele Franch , Marco Cristoforetti

The stochastic Eden model of charged particles aggregation in two-dimensional systems is presented. This model is governed by two parameters: screening length of electrostatic interaction, $\lambda $, and short range attraction energy, $E$.…

Statistical Mechanics · Physics 2009-10-31 Y. V. Ivanenko , N. I. Lebovka , N. V. Vygornitskii

In this paper, we study pattern formations in an aggregation and diffusion cell migration model with Dirichlet boundary condition. The formal continuum limit of the model is a nonlinear parabolic equation with a diffusivity which can become…

Analysis of PDEs · Mathematics 2020-11-30 Lianzhang Bao

With the advancement of diffusion models (DMs) and the substantially increased computational requirements, quantization emerges as a practical solution to obtain compact and efficient low-bit DMs. However, the highly discrete representation…

Computer Vision and Pattern Recognition · Computer Science 2025-02-03 Xingyu Zheng , Xianglong Liu , Haotong Qin , Xudong Ma , Mingyuan Zhang , Haojie Hao , Jiakai Wang , Zixiang Zhao , Jinyang Guo , Michele Magno

We propose certain approach of solving two-dimensional non-stationary and stationary advection-diffusion-reaction boundary value problems through their reduction to the set of corresponding one-dimensional problems. This method leverages…

Numerical Analysis · Mathematics 2024-11-19 R. Drebotiy , H. Shynkarenko

Diffusion-based models demonstrate impressive generation capabilities. However, they also have a massive number of parameters, resulting in enormous model sizes, thus making them unsuitable for deployment on resource-constraint devices.…

Computer Vision and Pattern Recognition · Computer Science 2024-09-04 Avideep Mukherjee , Soumya Banerjee , Piyush Rai , Vinay P. Namboodiri

We study the homogeneous Cauchy-Dirichlet Problem (CDP) for a nonlinear and nonlocal diffusion equation of singular type of the form $\partial_t u =-\mathcal{L} u^m$ posed on a bounded Euclidean domain $\Omega\subset\mathbb{R}^N$ with…

Analysis of PDEs · Mathematics 2022-08-01 Matteo Bonforte , Peio Ibarrondo , Mikel Ispizua

We consider the following problem in one-dimensional diffusion-limited aggregation (DLA). At time $t$, we have an "aggregate" consisting of $\Bbb{Z}\cap[0,R(t)]$ [with $R(t)$ a positive integer]. We also have $N(i,t)$ particles at $i$,…

Probability · Mathematics 2008-09-25 Harry Kesten , Vladas Sidoravicius

A practical correction formula relating the self-diffusion coefficient of dense liquids from molecular dynamics simulations with periodic boundary conditions to the self-diffusion coefficient in the thermodynamic limit is discussed. This…

Statistical Mechanics · Physics 2024-02-15 Sergey Khrapak

We investigate the existence of weak type solutions for a class of aggregation-diffusion PDEs with nonlinear mobility obtained as large particle limit of a suitable nonlocal version of the follow-the-leader scheme, which is interpreted as…

Analysis of PDEs · Mathematics 2018-03-30 Simone Fagioli , Emanuela Radici

Drawing upon recent advances in language model alignment, we formulate offline Reinforcement Learning as a two-stage optimization problem: First pretraining expressive generative policies on reward-free behavior datasets, then fine-tuning…

Machine Learning · Computer Science 2024-10-31 Huayu Chen , Kaiwen Zheng , Hang Su , Jun Zhu

We present LLaDA2.0-Uni, a unified discrete diffusion large language model (dLLM) that supports multimodal understanding and generation within a natively integrated framework. Its architecture combines a fully semantic discrete tokenizer, a…

Computer Vision and Pattern Recognition · Computer Science 2026-04-23 Inclusion AI , Tiwei Bie , Haoxing Chen , Tieyuan Chen , Zhenglin Cheng , Long Cui , Kai Gan , Zhicheng Huang , Zhenzhong Lan , Haoquan Li , Jianguo Li , Tao Lin , Qi Qin , Hongjun Wang , Xiaomei Wang , Haoyuan Wu , Yi Xin , Junbo Zhao

Internal Diffusion Limited Aggregation (IDLA) is a model that describes the growth of a random aggregate of particles from the inside out. Shellef proved that IDLA processes on supercritical percolation clusters of integer-lattices fill…

Probability · Mathematics 2011-11-03 Hugo Duminil-Copin , Cyrille Lucas , Ariel Yadin , Amir Yehudayoff