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The use of deep learning methods for modeling fluid flow has drawn a lot of attention in the past few years. In situations where conventional numerical approaches can be computationally expensive, these techniques have shown promise in…

Machine learning in drug discovery has been focused on virtual screening of molecular libraries using discriminative models. Generative models are an entirely different approach that learn to represent and optimize molecules in a continuous…

Quantitative Methods · Quantitative Biology 2020-11-17 Matthew Ragoza , Tomohide Masuda , David Ryan Koes

Realistic and parameterized 3D models of human anatomy have become invaluable in research, diagnostics, and surgical planning. However, the development of detailed models for internal organs, such as the stomach, has been limited by data…

Computer Vision and Pattern Recognition · Computer Science 2025-09-16 Erez Posner , Ore Shtalrid , Oded Erell , Daniel Noy , Moshe Bouhnik

Surrogate modeling has emerged as a powerful tool to accelerate Computational Fluid Dynamics (CFD) simulations. Existing 3D geometric learning models based on point clouds, voxels, meshes, or graphs depend on explicit geometric…

Fluid Dynamics · Physics 2025-05-26 Qian Chen , Mohamed Elrefaie , Angela Dai , Faez Ahmed

Modern 3D generation methods can rapidly create shapes from sparse or single views, but their outputs often lack geometric detail due to computational constraints. We present DetailGen3D, a generative approach specifically designed to…

Computer Vision and Pattern Recognition · Computer Science 2025-04-02 Ken Deng , Yuan-Chen Guo , Jingxiang Sun , Zi-Xin Zou , Yangguang Li , Xin Cai , Yan-Pei Cao , Yebin Liu , Ding Liang

Surrogate models for partial-differential equations are widely used in the design of meta-materials to rapidly evaluate the behavior of composable components. However, the training cost of accurate surrogates by machine learning can rapidly…

Machine Learning · Computer Science 2020-11-04 Raphaël Pestourie , Youssef Mroueh , Thanh V. Nguyen , Payel Das , Steven G. Johnson

Multiscale problems are widely observed across diverse domains in physics and engineering. Translating these problems into numerical simulations and solving them using numerical schemes, e.g. the finite element method, is costly due to the…

Surrogate models for the rapid inference of nonlinear boundary value problems in mechanics are helpful in a broad range of engineering applications. However, effective surrogate modeling of applications involving the contact of deformable…

Computational Engineering, Finance, and Science · Computer Science 2025-07-21 Vijay K. Dubey , Collin E. Haese , Osman Gültekin , David Dalton , Manuel K. Rausch , Jan N. Fuhg

Deep learning has proven to yield fast and accurate predictions of quantum-chemical properties to accelerate the discovery of novel molecules and materials. As an exhaustive exploration of the vast chemical space is still infeasible, we…

Machine Learning · Statistics 2020-01-10 Niklas W. A. Gebauer , Michael Gastegger , Kristof T. Schütt

Machine learning methods are increasingly used to build computationally inexpensive surrogates for complex physical models. The predictive capability of these surrogates suffers when data are noisy, sparse, or time-dependent. As we are…

Machine Learning · Computer Science 2024-05-20 A. Diaw , M. McKerns , I. Sagert , L. G. Stanton , M. S. Murillo

We introduce Deep Jump Gaussian Processes (DJGP), a novel method for surrogate modeling of a piecewise continuous function on a high-dimensional domain. DJGP addresses the limitations of conventional Jump Gaussian Processes (JGP) in…

Machine Learning · Computer Science 2026-01-16 Yang Xu , Chiwoo Park

Thrombosis involves processes spanning large-scale fluid flow to sub-cellular events such as platelet activation. Traditional CFD approaches often treat blood as a continuum, which can limit their ability to capture these microscale…

Fluid Dynamics · Physics 2025-03-18 Marco Laudato , Luca Manzari , Khemraj Shukla

Super-resolution is widely used in medical imaging to enhance low-quality data, reducing scan time and improving abnormality detection. Conventional super-resolution approaches typically rely on paired datasets of downsampled and original…

Computer Vision and Pattern Recognition · Computer Science 2026-02-18 Xiaoyi Wen , Fei Jiang

Generative models aim to learn the distribution of observed data by generating new instances. With the advent of neural networks, deep generative models, including variational autoencoders (VAEs), generative adversarial networks (GANs), and…

Computer Vision and Pattern Recognition · Computer Science 2023-08-29 Zifan Shi , Sida Peng , Yinghao Xu , Andreas Geiger , Yiyi Liao , Yujun Shen

Adjoint-based optimization methods are attractive for aerodynamic shape design primarily due to their computational costs being independent of the dimensionality of the input space and their ability to generate high-fidelity gradients that…

Computational Physics · Physics 2020-08-18 S. Ashwin Renganathan , Romit Maulik and , Jai Ahuja

Temporal volume images with 3D+t (4D) information are often used in medical imaging to statistically analyze temporal dynamics or capture disease progression. Although deep-learning-based generative models for natural images have been…

Image and Video Processing · Electrical Eng. & Systems 2022-06-28 Boah Kim , Jong Chul Ye

Modeling the time-series of high-dimensional, longitudinal data is important for predicting patient disease progression. However, existing neural network based approaches that learn representations of patient state, while very flexible, are…

Machine Learning · Computer Science 2021-06-21 Zeshan Hussain , Rahul G. Krishnan , David Sontag

We present a framework for automatically structuring and training fast, approximate, deep neural surrogates of stochastic simulators. Unlike traditional approaches to surrogate modeling, our surrogates retain the interpretable structure and…

We present a computational method for real-time, patient-specific simulation of 2D ultrasound (US) images. The method uses a large number of tracked ultrasound images to learn a function that maps position and orientation of the transducer…

Image and Video Processing · Electrical Eng. & Systems 2020-05-12 Cesare Magnetti , Veronika Zimmer , Nooshin Ghavami , Emily Skelton , Jacqueline Matthew , Karen Lloyd , Jo Hajnal , Julia A. Schnabel , Alberto Gomez

Neural network surrogate models have emerged as a promising approach to model solution fields for a wide variety of boundary value problems encountered in physical modeling. Stochastic problems represent an area of particularly high…

Machine Learning · Statistics 2026-05-18 Noah Wade , Kirubel Teferra