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Diffusion models have emerged as a powerful framework for generative tasks in deep learning. They decompose generative modeling into two computational primitives: deterministic neural-network evaluation and stochastic sampling. Current…

Machine Learning · Computer Science 2026-03-31 Nihal Sanjay Singh , Mazdak Mohseni-Rajaee , Shaila Niazi , Kerem Y. Camsari

Deep generative models have been applied with increasing success to the generation of two dimensional molecules as SMILES strings and molecular graphs. In this work we describe for the first time a deep generative model that can generate 3D…

Chemical Physics · Physics 2020-11-24 Tomohide Masuda , Matthew Ragoza , David Ryan Koes

Metamaterials, synthetic materials with customized properties, have emerged as a promising field due to advancements in additive manufacturing. These materials derive unique mechanical properties from their internal lattice structures,…

Artificial Intelligence · Computer Science 2024-10-01 Jaewan Park , Shashank Kushwaha , Junyan He , Seid Koric , Qibang Liu , Iwona Jasiuk , Diab Abueidda

This research chapter provides a comprehensive overview of ferromagnetic gyroidal nanostructures, combining a review of state-of-the-art research with our new findings on their implications for 3D magnonics. Both static and dynamic…

Mesoscale and Nanoscale Physics · Physics 2026-03-05 Mateusz Gołębiewski , Maciej Krawczyk

Phase retrieval is a nonlinear inverse problem that arises in a wide range of imaging modalities, from electron microscopy to Fourier ptychography. In particular, the reconstruction is facilitated when the sensing matrix is i.i.d. random,…

Microstructure reconstruction is a key enabler of process-structure-property linkages, a central topic in materials engineering. Revisiting classical optimization-based reconstruction techniques,they are recognized as a powerful framework…

Materials Science · Physics 2021-03-19 Paul Seibert , Marreddy Ambati , Alexander Raßloff , Markus Kästner

Magnetic Resonance Imaging (MRI) is a critical tool in modern medical diagnostics, yet its prolonged acquisition time remains a critical limitation, especially in time-sensitive clinical scenarios. While undersampling strategies can…

Image and Video Processing · Electrical Eng. & Systems 2025-10-09 Mohammed Alsubaie , Wenxi Liu , Linxia Gu , Ovidiu C. Andronesi , Sirani M. Perera , Xianqi Li

In this report, we introduce UltraShape 1.0, a scalable 3D diffusion framework for high-fidelity 3D geometry generation. The proposed approach adopts a two-stage generation pipeline: a coarse global structure is first synthesized and then…

Computer Vision and Pattern Recognition · Computer Science 2025-12-29 Tanghui Jia , Dongyu Yan , Dehao Hao , Yang Li , Kaiyi Zhang , Xianyi He , Lanjiong Li , Yuhan Wang , Jinnan Chen , Lutao Jiang , Qishen Yin , Long Quan , Ying-Cong Chen , Li Yuan

Geological parameterization entails the representation of a geomodel using a small set of latent variables and a mapping from these variables to grid-block properties such as porosity and permeability. Parameterization is useful for data…

Computer Vision and Pattern Recognition · Computer Science 2026-03-16 Guido Di Federico , Louis J. Durlofsky

The microstructure analyses of porous media have considerable research value for the study of macroscopic properties. As the premise of conducting these analyses, the accurate reconstruction of microstructure digital model is also an…

Image and Video Processing · Electrical Eng. & Systems 2023-04-26 Zhenchuan Ma , Xiaohai He , Pengcheng Yan , Fan Zhang , Qizhi Teng

Understanding microstructure-property relationships (MPRs) is essential for optimising the performance of multiphase composites. Image-based poro/micro-mechanical modelling provides a non-invasive approach to exploring MPRs, but the…

Applied Physics · Physics 2025-01-22 Jinlong Fu , Wei Tan

In this work, we present a novel framework for constructing three-dimensional (3D) objects from two-dimensional (2D) maps, tailored for the analysis of complex structures in the interstellar medium (ISM). The framework extends the Abel…

Astrophysics of Galaxies · Physics 2025-03-26 Xunchuan Liu , Xiaofeng Mai

This paper presents novel single and multi-shell sampling schemes for diffusion MRI. In diffusion MRI, it is paramount that the number of samples is as small as possible in order that scan times are practical in a clinical setting. The…

Signal Processing · Electrical Eng. & Systems 2019-02-01 Alice P. Bates , Zubair Khalid , Jason D. McEwen , Rodney A. Kennedy , Alessandro Daducci , Erick J. Canales-Rodríguez

In many branches of earth sciences, the problem of rock study on the micro-level arises. However, a significant number of representative samples is not always feasible. Thus the problem of the generation of samples with similar properties…

Computer Vision and Pattern Recognition · Computer Science 2021-08-09 Denis Volkhonskiy , Ekaterina Muravleva , Oleg Sudakov , Denis Orlov , Boris Belozerov , Evgeny Burnaev , Dmitry Koroteev

Probabilistic denoising diffusion models (DDMs) have set a new standard for 2D image generation. Extending DDMs for 3D content creation is an active field of research. Here, we propose TetraDiffusion, a diffusion model that operates on a…

Computer Vision and Pattern Recognition · Computer Science 2024-08-12 Nikolai Kalischek , Torben Peters , Jan D. Wegner , Konrad Schindler

The failure of heterogeneous materials with microstructures is a complex process of damage nucleation, growth and localisation. This process spans multiple length scales and is challenging to simulate numerically due to its high…

Materials Science · Physics 2023-05-24 Philip P. Müller , Falk K. Wittel , David S. Kammer

Magnetic resonance imaging (MRI) is a common and life-saving medical imaging technique. However, acquiring high signal-to-noise ratio MRI scans requires long scan times, resulting in increased costs and patient discomfort, and decreased…

Image and Video Processing · Electrical Eng. & Systems 2023-02-07 Tiange Xiang , Mahmut Yurt , Ali B Syed , Kawin Setsompop , Akshay Chaudhari

Classical diffusion models typically rely on isotropic Gaussian noise, treating all regions uniformly and overlooking structural information important for high-quality generation. We introduce an edge-preserving diffusion process that…

Computer Vision and Pattern Recognition · Computer Science 2026-04-17 Jente Vandersanden , Sascha Holl , Xingchang Huang , Gurprit Singh

Chemical imaging enables label-free visualization of cells, tissues and living systems while providing direct biochemical information that is difficult to obtain with conventional fluorescence microscopy. Despite its promise in applications…

Computer Vision and Pattern Recognition · Computer Science 2026-05-12 Yongkang Li , Brian Wong , King Wai Chiu , Hanwen Xu , Tangqi Fang , Erin Dunnington , Dan Fu , Sheng Wang

Designing composite materials as per the application requirements is fundamentally a challenging and time consuming task. Here we report the development of a deep neural network based computational framework capable of solving the forward…

Materials Science · Physics 2022-09-14 Ashank , Soumen Chakravarty , Pranshu Garg , Ankit Kumar , Manish Agrawal , Prabhat K. Agnihotri