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Finding new superconductors with a high critical temperature ($T_c$) has been a challenging task due to computational and experimental costs. We present a diffusion model inspired by the computer vision community to generate new…

Superconductivity · Physics 2023-07-28 Daniel Wines , Tian Xie , Kamal Choudhary

Learning on 3D structures of large biomolecules is emerging as a distinct area in machine learning, but there has yet to emerge a unifying network architecture that simultaneously leverages the graph-structured and geometric aspects of the…

Biomolecules · Quantitative Biology 2021-05-18 Bowen Jing , Stephan Eismann , Patricia Suriana , Raphael J. L. Townshend , Ron Dror

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

The history-dependent behaviors of classical plasticity models are often driven by internal variables evolved according to phenomenological laws. The difficulty to interpret how these internal variables represent a history of deformation,…

Machine Learning · Computer Science 2023-01-04 Nikolaos N. Vlassis , WaiChing Sun

Modeling biological soft tissue is complex in part due to material heterogeneity. Microstructural patterns, which play a major role in defining the mechanical behavior of these tissues, are both challenging to characterize, and difficult to…

Machine Learning · Computer Science 2022-07-19 Hiba Kobeissi , Saeed Mohammadzadeh , Emma Lejeune

3D microstructural datasets are commonly used to define the geometrical domains used in finite element modelling. This has proven a useful tool for understanding how complex material systems behave under applied stresses, temperatures and…

Machine Learning · Computer Science 2022-10-14 Steve Kench , Isaac Squires , Amir Dahari , Samuel J Cooper

Understanding how living organisms spontaneously develop complex functional structures inspires innovative approaches in engineering design. Here, we introduce a decentralized generative model based on morphogenesis to autonomously grow…

Applied Physics · Physics 2025-09-15 Thomas Fromentèze , Philippe Michaud , Ali Hassny , Vincent Pateloup

Acquiring reliable microstructure datasets is a pivotal step toward the systematic design of materials with the aid of integrated computational materials engineering (ICME) approaches. However, obtaining three-dimensional (3D)…

Materials Science · Physics 2023-09-26 Kang-Hyun Lee , Gun Jin Yun

Deep generative models that learn from the distribution of natural protein sequences and structures may enable the design of new proteins with valuable functions. While the majority of today's models focus on generating either sequences or…

Biomolecules · Quantitative Biology 2024-10-03 Chentong Wang , Sarah Alamdari , Carles Domingo-Enrich , Ava Amini , Kevin K. Yang

Creating high-quality materials in computer graphics is a challenging and time-consuming task, which requires great expertise. To simplify this process, we introduce MatFuse, a unified approach that harnesses the generative power of…

Computer Vision and Pattern Recognition · Computer Science 2024-11-18 Giuseppe Vecchio , Renato Sortino , Simone Palazzo , Concetto Spampinato

Recent advances in deep learning have enabled the generation of realistic data by training generative models on large datasets of text, images, and audio. While these models have demonstrated exceptional performance in generating novel and…

Materials Science · Physics 2024-06-17 Izumi Takahara , Kiyou Shibata , Teruyasu Mizoguchi

The microstructure is an essential part of materials, storing the genes of materials and having a decisive influence on materials' physical and chemical properties. The material genetic engineering program aims to establish the relationship…

Machine Learning · Computer Science 2021-09-30 Chao Shu , Zhuoran Xin , Cheng Xie

The intricate microstructure serves as the cornerstone for the composition/processing-structure-property (CPSP) connection in multiphase alloys. Traditional alloy design methods often overlook microstructural details, which diminishes the…

Materials Science · Physics 2024-09-05 Xudong Ma , Yuqi Zhang , Chenchong Wang , Ming Wang , Mingxin Huang , Wei Xu

The inverse design of metasurfaces faces inherent challenges due to the nonlinear and highly complex relationship between geometric configurations and their electromagnetic behavior. Traditional optimization approaches often suffer from…

Diffusion models have revolutionized image generation in recent years, yet they are still limited to a few sizes and aspect ratios. We propose ElasticDiffusion, a novel training-free decoding method that enables pretrained text-to-image…

Computer Vision and Pattern Recognition · Computer Science 2025-03-11 Moayed Haji-Ali , Guha Balakrishnan , Vicente Ordonez

D shape generation is a fundamental operation in computer graphics. While significant progress has been made, especially with recent deep generative models, it remains a challenge to synthesize high-quality shapes with rich geometric…

Graphics · Computer Science 2022-05-31 Jie Yang , Kaichun Mo , Yu-Kun Lai , Leonidas J. Guibas , Lin Gao

In recent years generative design techniques have become firmly established in numerous applied fields, especially in engineering. These methods are demonstrating intensive growth owing to promising outlook. However, existing approaches are…

Neural and Evolutionary Computing · Computer Science 2022-12-29 Nikita O. Starodubcev , Nikolay O. Nikitin , Konstantin G. Gavaza , Elizaveta A. Andronova , Denis O. Sidorenko , Anna V. Kalyuzhnaya

In this work, we develop a new systematic and self-consistent approach to homogenize arbitrary non-magnetic periodic metamaterials. The proposed method does not rely on the solution of an eigenvalue problem and can fully characterize the…

Materials Science · Physics 2015-06-25 Mario G. Silveirinha

Learning powerful deep generative models for 3D shape synthesis is largely hindered by the difficulty in ensuring plausibility encompassing correct topology and reasonable geometry. Indeed, learning the distribution of plausible 3D shapes…

Computer Vision and Pattern Recognition · Computer Science 2020-01-28 Jun Li , Chengjie Niu , Kai Xu

Many technological applications depend on the response of materials to electric fields, but available databases of such responses are limited. Here, we explore the infrared, piezoelectric and dielectric properties of inorganic materials by…

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