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Crystal structure generation is a foundational challenge in materials discovery, particularly in designing functional inorganic crystalline materials with desired properties. Most existing diffusion-based generative models for crystals rely…

Materials Science · Physics 2025-05-13 Sourav Mal , Subhankar Mishra , Prasenjit Sen

We introduce, test and discuss a method for classifying and clustering data modeled as directed graphs. The idea is to start diffusion processes from any subset of a data collection, generating corresponding distributions for reaching…

Machine Learning · Statistics 2015-06-26 Jimmy Dubuisson , Jean-Pierre Eckmann , Andrea Agazzi

Pattern formation in reaction-diffusion systems where the diffusion terms correspond to a Sturm-Liouville problem are studied. These correspond to a problem where the diffusion coefficient depends on the spatial variable: $\nabla \cdot…

Pattern Formation and Solitons · Physics 2022-11-28 E. A. Calderón-Barreto , J. L. Aragón

This paper addresses the problem of generating textures for 3D mesh assets. Existing approaches often rely on image diffusion models to generate multi-view image observations, which are then transformed onto the mesh surface to produce a…

Computer Vision and Pattern Recognition · Computer Science 2025-04-02 Xuyang Wang , Ziang Cheng , Zhenyu Li , Jiayu Yang , Haorui Ji , Pan Ji , Mehrtash Harandi , Richard Hartley , Hongdong Li

Diffusion models have demonstrated exceptional performances in various fields of generative modeling, but suffer from slow sampling speed due to their iterative nature. While this issue is being addressed in continuous domains, discrete…

Machine Learning · Computer Science 2025-05-12 Satoshi Hayakawa , Yuhta Takida , Masaaki Imaizumi , Hiromi Wakaki , Yuki Mitsufuji

Hierarchical structures exhibit critical features across multiple scales. However, designing multiscale structures demands significant computational resources, and ensuring connectivity between microstructures remains a key challenge. To…

Computational Engineering, Finance, and Science · Computer Science 2025-01-09 Jingxuan Feng , Lili Wang , Xiaoya Zhai , Kai Chen , Wenming Wu , Ligang Liu , Xiao-Ming Fu

Many animals have patterned fur, feathers, or scales, such as the stripes of a zebra. Turing models, or reaction-diffusion systems, are a class of mathematical models of interacting species that have been successfully used to generate…

Biological Physics · Physics 2023-12-04 Michael F. Staddon

Simulation-based approaches to microstructure generation can suffer from a variety of limitations, such as high memory usage, long computational times, and difficulties in generating complex geometries. Generative machine learning models…

Graphics · Computer Science 2025-03-10 Nathan Hoffman , Cashen Diniz , Dehao Liu , Theron Rodgers , Anh Tran , Mark Fuge

Effective trajectory stitching for long-horizon planning is a significant challenge in robotic decision-making. While diffusion models have shown promise in planning, they are limited to solving tasks similar to those seen in their training…

Robotics · Computer Science 2025-05-06 Yunhao Luo , Utkarsh A. Mishra , Yilun Du , Danfei Xu

Complex networks are characterized by latent geometries induced by their topology or by the dynamics on the top of them. In the latter case, different network-driven processes induce distinct geometric features that can be captured by…

Physics and Society · Physics 2021-04-07 Giulia Bertagnolli , Manlio De Domenico

We develop a diffusion-based approach for various document layout sequence generation. Layout sequences specify the contents of a document design in an explicit format. Our novel diffusion-based approach works in the sequence domain rather…

Computer Vision and Pattern Recognition · Computer Science 2023-09-19 Liu He , Yijuan Lu , John Corring , Dinei Florencio , Cha Zhang

The adoption of text-to-image diffusion models raises concerns over reliability, drawing scrutiny under the lens of various metrics like calibration, fairness, or compute efficiency. We focus in this work on two issues that arise when…

Computer Vision and Pattern Recognition · Computer Science 2025-05-29 Michael Kirchhof , James Thornton , Louis Béthune , Pierre Ablin , Eugene Ndiaye , Marco Cuturi

Diffusion models simulate the propagation of influence in networks. The design and evaluation of diffusion models has been subjective and empirical. When being applied to a network represented by a graph, the diffusion model generates a…

Social and Information Networks · Computer Science 2020-12-15 Fangqi Li

In recent decades, it has been emphasized that the evolving structure of networks may be shaped by interaction principles that yield sparse graphs with a vertex degree distribution exhibiting an algebraic tail, and other structural traits…

Statistical Mechanics · Physics 2025-07-01 Dario Borrelli

Hypergraphs are powerful mathematical structures that can model complex, high-order relationships in various domains, including social networks, bioinformatics, and recommender systems. However, generating realistic and diverse hypergraphs…

Machine Learning · Computer Science 2026-03-11 Dorian Gailhard , Enzo Tartaglione , Lirida Naviner , Jhony H. Giraldo

This study investigates human-computer interface generation based on diffusion models to overcome the limitations of traditional template-based design and fixed rule-driven methods. It first analyzes the key challenges of interface…

Human-Computer Interaction · Computer Science 2026-01-13 Rui Liu , Liuqingqing Yang , Runsheng Zhang , Shixiao Wang

The shear-induced self-organization of active rotors into stripy aggregates is studied by carrying out computational simulations. The rotors, modeled by monolayers of frictional spheres, develop to stripy microstructures only when they…

Soft Condensed Matter · Physics 2022-01-19 Zhiyuan Zhao , Boyi Wang , Shigeyuki Komura , Mingcheng Yang , Fangfu Ye , Ryohei Seto

This paper presents DiffSurf, a transformer-based denoising diffusion model for generating and reconstructing 3D surfaces. Specifically, we design a diffusion transformer architecture that predicts noise from noisy 3D surface vertices and…

Computer Vision and Pattern Recognition · Computer Science 2024-08-28 Yusuke Yoshiyasu , Leyuan Sun

Spatial and temporal pattern formation in reaction-diffusion systems is typically studied with two or more equations, as scalar reaction-diffusion equations confined to convex domains do not admit stable inhomogeneous states in time or…

Pattern Formation and Solitons · Physics 2026-05-07 N. Mahashri , Andrew L. Krause , M. Chandru , Thomas E. Woolley

Electrical waves in the heart form rotating spiral or scroll waves during life-threatening arrhythmias such as atrial or ventricular fibrillation. The wave dynamics are typically modeled using coupled partial differential equations, which…

Medical Physics · Physics 2024-10-07 Tanish Baranwal , Jan Lebert , Jan Christoph