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In recent years, progress has been made in generating new crystalline materials using generative machine learning models, though gaps remain in efficiently generating crystals based on target properties. This paper proposes the Con-CDVAE…

Materials Science · Physics 2024-11-19 Cai-Yuan Ye , Hong-Ming Weng , Quan-Sheng Wu

Generative models, particularly diffusion models, have made significant success in data synthesis across various modalities, including images, videos, and 3D assets. However, current diffusion models are computationally intensive, often…

Computer Vision and Pattern Recognition · Computer Science 2024-12-10 Yuanzhi Zhu , Hanshu Yan , Huan Yang , Kai Zhang , Junnan Li

We present a generative AI algorithm for addressing the pressing task of fast, accurate, and robust statistical computation of three-dimensional turbulent fluid flows. Our algorithm, termed as GenCFD, is based on an end-to-end conditional…

Despite recent advances, goal-directed generation of structured discrete data remains challenging. For problems such as program synthesis (generating source code) and materials design (generating molecules), finding examples which satisfy…

Machine Learning · Computer Science 2020-10-26 Amina Mollaysa , Brooks Paige , Alexandros Kalousis

Recent advances in denoising diffusion models have enabled rapid generation of optimized structures for topology optimization. However, these models often rely on surrogate predictors to enforce physical constraints, which may fail to…

Machine Learning · Computer Science 2025-08-05 Euihyun Kim , Keun Park , Yeoneung Kim

Synthesizing realistic microstructure images conditioned on processing parameters is crucial for understanding process-structure relationships in materials design. However, this task remains challenging due to limited training micrographs…

Materials Science · Physics 2025-11-21 Hoang Cuong Phan , Minh Tien Tran , Chihun Lee , Hoheok Kim , Sehyeok Oh , Dong-Kyu Kim , Ho Won Lee

Diffusion models have enabled remarkably high-quality medical image generation, yet it is challenging to enforce anatomical constraints in generated images. To this end, we propose a diffusion model-based method that supports…

Image and Video Processing · Electrical Eng. & Systems 2024-06-21 Nicholas Konz , Yuwen Chen , Haoyu Dong , Maciej A. Mazurowski

Goal-directed molecular generation requires satisfying heterogeneous constraints such as protein--ligand compatibility and multi-objective drug-like properties, yet existing methods often optimize these constraints in isolation, failing to…

Machine Learning · Computer Science 2026-04-14 Yanting Li , Zhuoyang Jiang , Enyan Dai , Lei Wang , Wen-Cai Ye , Li Liu

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

Video generation has recently emerged as a central task in the field of generative AI. However, the substantial computational cost inherent in video synthesis makes model distillation a critical technique for efficient deployment. Despite…

Computer Vision and Pattern Recognition · Computer Science 2026-03-24 Yuyang You , Yongzhi Li , Jiahui Li , Yadong Mu , Quan Chen , Peng Jiang

Low-field to high-field MRI synthesis has emerged as a cost-effective strategy to enhance image quality under hardware and acquisition constraints, particularly in scenarios where access to high-field scanners is limited or impractical.…

Computer Vision and Pattern Recognition · Computer Science 2026-03-13 Zhenxuan Zhang , Peiyuan Jing , Ruicheng Yuan , Liwei Hu , Anbang Wang , Fanwen Wang , Yinzhe Wu , Kh Tohidul Islam , Zhaolin Chen , Zi Wang , Peter Lally , Guang Yang

In this study, we introduce Generative Manufacturing Systems (GMS) as a novel approach to effectively manage and coordinate autonomous manufacturing assets, thereby enhancing their responsiveness and flexibility to address a wide array of…

Machine Learning · Computer Science 2025-01-10 Xingyu Li , Fei Tao , Wei Ye , Aydin Nassehi , John W. Sutherland

Diffusion models are at the vanguard of generative AI research with renowned solutions such as ImageGen by Google Brain and DALL.E 3 by OpenAI. Nevertheless, the potential merits of diffusion models for communication engineering…

Information Theory · Computer Science 2023-11-17 Mehdi Letafati , Samad Ali , Matti Latva-aho

Generative models on discrete state-spaces have a wide range of potential applications, particularly in the domain of natural sciences. In continuous state-spaces, controllable and flexible generation of samples with desired properties has…

Machine Learning · Computer Science 2025-03-27 Hunter Nisonoff , Junhao Xiong , Stephan Allenspach , Jennifer Listgarten

Training supervised deep neural networks that perform defect detection and segmentation requires large-scale fully-annotated datasets, which can be hard or even impossible to obtain in industrial environments. Generative AI offers…

Computer Vision and Pattern Recognition · Computer Science 2024-01-09 Gabriele Valvano , Antonino Agostino , Giovanni De Magistris , Antonino Graziano , Giacomo Veneri

We present a generative modeling framework for synthesizing physically feasible two-dimensional incompressible flows under arbitrary obstacle geometries and boundary conditions. Whereas existing diffusion-based flow generators either ignore…

Fluid Dynamics · Physics 2026-02-23 Noah Trupin , Rahul Ghosh , Aadi Jangid

High throughput experimentation tools, machine learning (ML) methods, and open material databases are radically changing the way new materials are discovered. From the experimentally driven approach in the past, we are moving quickly…

Materials Science · Physics 2025-08-06 Albertus Denny Handoko , Riko I Made

Dynamic contingency screening is a challenging task in dynamic security assessment, when traditional numerical approaches are computationally intensive and often not able to repeatedly solve full AC power flow for all possible contingencies…

Systems and Control · Electrical Eng. & Systems 2026-04-29 Quan Tran , Suresh S. Muknahallipatna , Dongliang Duan , Nga Nguyen

Text-conditioned image generation has made significant progress in recent years with generative adversarial networks and more recently, diffusion models. While diffusion models conditioned on text prompts have produced impressive and…

Computer Vision and Pattern Recognition · Computer Science 2023-05-01 Azade Farshad , Yousef Yeganeh , Yu Chi , Chengzhi Shen , Björn Ommer , Nassir Navab

The discovery of novel solid-state materials, such as electrocatalysts, super-ionic conductors, or photovoltaic materials, plays a critical role in addressing various global challenges. It has, for instance, the potential to significantly…

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