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Generative artificial intelligence is now a widely used tool in molecular science. Despite the popularity of probabilistic generative models, numerical experiments benchmarking their performance on molecular data are lacking. In this work,…

Machine Learning · Computer Science 2024-11-15 Richard John , Lukas Herron , Pratyush Tiwary

Microstructures, characterized by intricate structures at the microscopic scale, hold the promise of important disruptions in the field of mechanical engineering due to the superior mechanical properties they offer. One fundamental…

Computational Geometry · Computer Science 2024-11-26 Qiang Zou , Guoyue Luo

Recent research into buffet in the transonic flow regime has been focused on a limited number of proprietary airfoil geometries and has mainly considered parametric variations in Mach number and angle of attack. In contrast, relatively…

In recent years, machine learning (ML) methods have become increasingly popular in wireless communication systems for several applications. A critical bottleneck for designing ML systems for wireless communications is the availability of…

Signal Processing · Electrical Eng. & Systems 2025-03-28 Satyavrat Wagle , Akshay Malhotra , Shahab Hamidi-Rad , Aditya Sant , David J. Love , Christopher G. Brinton

We investigate the geometrical structure of probabilistic generative dimensionality reduction models using the tools of Riemannian geometry. We explicitly define a distribution over the natural metric given by the models. We provide the…

Machine Learning · Statistics 2014-12-01 Alessandra Tosi , Søren Hauberg , Alfredo Vellido , Neil D. Lawrence

The diffusion probabilistic generative models are widely used to generate high-quality data. Though they can synthetic data that does not exist in the training set, the rationale behind such generalization is still unexplored. In this…

Machine Learning · Computer Science 2023-05-25 Mingyang Yi , Jiacheng Sun , Zhenguo Li

Accurate machine-learning models for aerodynamic prediction are essential for accelerating shape optimization, yet remain challenging to develop for complex three-dimensional configurations due to the high cost of generating training data.…

Machine Learning · Computer Science 2026-04-21 Yunjia Yang , Babak Gholami , Caglar Gurbuz , Mohammad Rashed , Nils Thuerey

Deep generative models such as Variational Autoencoders (VAEs), Generative Adversarial Networks (GANs), Diffusion Models, and Transformers, have shown great promise in a variety of applications, including image and speech synthesis, natural…

Machine Learning · Computer Science 2025-11-18 Lyle Regenwetter , Akash Srivastava , Dan Gutfreund , Faez Ahmed

Deep learning has recently been applied to various research areas of design optimization. This study presents the need and effectiveness of adopting deep learning for generative design (or design exploration) research area. This work…

Machine Learning · Computer Science 2020-05-27 Sangeun Oh , Yongsu Jung , Seongsin Kim , Ikjin Lee , Namwoo Kang

Data-driven generative models have emerged as promising approaches towards achieving efficient mechanical inverse design. However, due to prohibitively high cost in time and money, there is still lack of open-source and large-scale…

Computational Engineering, Finance, and Science · Computer Science 2024-10-29 Jian Liu , Jianyu Wu , Hairun Xie , Guoqing Zhang , Jing Wang , Wei Liu , Wanli Ouyang , Junjun Jiang , Xianming Liu , Shixiang Tang , Miao Zhang

Leveraging neural networks as surrogate models for turbulence simulation is a topic of growing interest. At the same time, embodying the inherent uncertainty of simulations in the predictions of surrogate models remains very challenging.…

Fluid Dynamics · Physics 2024-10-10 Qiang Liu , Nils Thuerey

Score-based diffusion models have demonstrated remarkable empirical success in learning high-dimensional distributions, particularly those exhibiting low-dimensional and multi-modal structures. However, theoretical understanding of their…

Machine Learning · Statistics 2026-05-29 Jingda Wu , Changxiao Cai

Using statistical physics methods, we study generative diffusion models in the regime where the dimension of space and the number of data are large, and the score function has been trained optimally. Our analysis reveals three distinct…

Machine Learning · Computer Science 2025-01-08 Giulio Biroli , Tony Bonnaire , Valentin de Bortoli , Marc Mézard

NeuralFoil is an open-source Python-based tool for rapid aerodynamics analysis of airfoils, similar in purpose to XFoil. Speedups ranging from 8x to 1,000x over XFoil are demonstrated, after controlling for equivalent accuracy. NeuralFoil…

Fluid Dynamics · Physics 2025-03-21 Peter Sharpe , R. John Hansman

We introduce a new diffusion-based approach for shape completion on 3D range scans. Compared with prior deterministic and probabilistic methods, we strike a balance between realism, multi-modality, and high fidelity. We propose DiffComplete…

Computer Vision and Pattern Recognition · Computer Science 2023-06-29 Ruihang Chu , Enze Xie , Shentong Mo , Zhenguo Li , Matthias Nießner , Chi-Wing Fu , Jiaya Jia

Cloth manipulation is challenging due to its highly complex dynamics, near-infinite degrees of freedom, and frequent self-occlusions, which complicate both state estimation and dynamics modeling. Inspired by recent advances in generative…

Robotics · Computer Science 2025-09-03 Tongxuan Tian , Haoyang Li , Bo Ai , Xiaodi Yuan , Zhiao Huang , Hao Su

Precise geometric control in image generation is essential for engineering \& product design and creative industries to control 3D object features accurately in image space. Traditional 3D editing approaches are time-consuming and demand…

Computer Vision and Pattern Recognition · Computer Science 2025-10-28 Phillip Mueller , Talip Uenlue , Sebastian Schmidt , Marcel Kollovieh , Jiajie Fan , Stephan Guennemann , Lars Mikelsons

We introduce PolyDiff, the first diffusion-based approach capable of directly generating realistic and diverse 3D polygonal meshes. In contrast to methods that use alternate 3D shape representations (e.g. implicit representations), our…

Computer Vision and Pattern Recognition · Computer Science 2023-12-19 Antonio Alliegro , Yawar Siddiqui , Tatiana Tommasi , Matthias Nießner

How do diffusion generative models convert pure noise into meaningful images? In a variety of pretrained diffusion models (including conditional latent space models like Stable Diffusion), we observe that the reverse diffusion process that…

Computer Vision and Pattern Recognition · Computer Science 2024-03-27 Binxu Wang , John J. Vastola

Automatic layout generation that can synthesize high-quality layouts is an important tool for graphic design in many applications. Though existing methods based on generative models such as Generative Adversarial Networks (GANs) and…

Computer Vision and Pattern Recognition · Computer Science 2023-05-05 Shang Chai , Liansheng Zhuang , Fengying Yan