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Shape priors have long been known to be effective when reconstructing 3D shapes from noisy or incomplete data. When using a deep-learning based shape representation, this often involves learning a latent representation, which can be either…

Computer Vision and Pattern Recognition · Computer Science 2022-06-22 Patrick M. Jensen , Udaranga Wickramasinghe , Anders B. Dahl , Pascal Fua , Vedrana A. Dahl

We propose a non-intrusive method to build surrogate models that approximate the solution of parameterized partial differential equations (PDEs), capable of taking into account the dependence of the solution on the shape of the…

Numerical Analysis · Mathematics 2024-09-20 Linying Zhang , Stefano Pagani , Jun Zhang , Francesco Regazzoni

Statistical shape modeling (SSM) is an enabling quantitative tool to study anatomical shapes in various medical applications. However, directly using 3D images in these applications still has a long way to go. Recent deep learning methods…

Computer Vision and Pattern Recognition · Computer Science 2023-10-04 Abu Zahid Bin Aziz , Jadie Adams , Shireen Elhabian

A deep-learning-based surrogate model capable of predicting flow and geomechanical responses in CO2 storage operations is presented and applied. The 3D recurrent R-U-Net model combines deep convolutional and recurrent neural networks to…

Machine Learning · Computer Science 2021-05-05 Meng Tang , Xin Ju , Louis J. Durlofsky

Derivation of the probability density evolution provides invaluable insight into the behavior of many stochastic systems and their performance. However, for most real-time applica-tions, numerical determination of the probability density…

Machine Learning · Computer Science 2022-07-06 Seid H. Pourtakdoust , Amir H. Khodabakhsh

Learning data representations under uncertainty is an important task that emerges in numerous scientific computing and data analysis applications. However, uncertainty quantification techniques are computationally intensive and become…

Machine Learning · Computer Science 2025-08-06 Paz Fink Shustin , Shashanka Ubaru , Małgorzata J. Zimoń , Songtao Lu , Vasileios Kalantzis , Lior Horesh , Haim Avron

In many cutting-edge applications, high-fidelity computational models prove to be too slow for practical use and are therefore replaced by much faster surrogate models. Recently, deep learning techniques have increasingly been utilized to…

Machine Learning · Computer Science 2024-04-03 Saurabh Deshpande , Stéphane P. A. Bordas , Jakub Lengiewicz

Recently, it has become progressively more evident that classic diagnostic labels are unable to reliably describe the complexity and variability of several clinical phenotypes. This is particularly true for a broad range of neuropsychiatric…

Machine Learning · Computer Science 2024-02-28 Giovanna Maria Dimitri , Simeon Spasov , Andrea Duggento , Luca Passamonti , Pietro Li`o , Nicola Toschi

We propose a deep learning-based surrogate model for stochastic simulators. The basic idea is to use generative neural network to approximate the stochastic response. The challenge with such a framework resides in designing the network…

Machine Learning · Computer Science 2021-10-27 Akshay Thakur , Souvik Chakraborty

Surrogate models are often used as computationally efficient approximations to complex simulation models, enabling tasks such as solving inverse problems, sensitivity analysis, and probabilistic forward predictions, which would otherwise be…

Machine Learning · Statistics 2026-05-13 Philipp Reiser , Paul-Christian Bürkner , Anneli Guthke

Climate control of buildings makes up a significant portion of global energy consumption, with groundwater heat pumps providing a suitable alternative. To prevent possibly negative interactions between heat pumps throughout a city, city…

Machine Learning · Computer Science 2022-03-30 Raphael Leiteritz , Kyle Davis , Miriam Schulte , Dirk Pflüger

We propose a novel approach to generate samples from the conditional distribution of patient-specific cardiovascular models given a clinically aquired image volume. A convolutional neural network architecture with dropout layers is first…

Quantitative Methods · Quantitative Biology 2021-09-01 Gabriel Maher , Casey Fleeter , Daniele Schiavazzi , Alison Marsden

This paper presents a methodology to learn surrogate models of steady state fluid dynamics simulations on meshed domains, based on Implicit Neural Representations (INRs). The proposed models can be applied directly to unstructured domains…

Computational Engineering, Finance, and Science · Computer Science 2024-10-29 Giovanni Catalani , Siddhant Agarwal , Xavier Bertrand , Frederic Tost , Michael Bauerheim , Joseph Morlier

Molecular representation learning has shown great success in advancing AI-based drug discovery. The core of many recent works is based on the fact that the 3D geometric structure of molecules provides essential information about their…

Machine Learning · Computer Science 2024-10-23 Jiying Zhang , Zijing Liu , Yu Wang , Yu Li

Data-driven modeling approaches can produce fast surrogates to study large-scale physics problems. Among them, graph neural networks (GNNs) that operate on mesh-based data are desirable because they possess inductive biases that promote…

Machine Learning · Computer Science 2023-04-04 Brian R. Bartoldson , Yeping Hu , Amar Saini , Jose Cadena , Yucheng Fu , Jie Bao , Zhijie Xu , Brenda Ng , Phan Nguyen

A deep latent variable model is a powerful method for capturing complex distributions. These models assume that underlying structures, but unobserved, are present within the data. In this dissertation, we explore high-dimensional problems…

Machine Learning · Computer Science 2024-06-13 Khuong Vo

Limiting the injection rate to restrict the pressure below a threshold at a critical location can be an important goal of simulations that model the subsurface pressure between injection and extraction wells. The pressure is approximated by…

Solving inverse problems in cardiac electrophysiology consists in the recovery of physiological parameters from surface electrocardiogram (ECG) measurements, a task which is often computationally unfeasible due to the severe ill-posedness…

Numerical Analysis · Mathematics 2026-05-05 Edoardo Centofanti , Giovanni Ziarelli , Simone Scacchi , Luca Franco Pavarino

Deep generative models of 3D shapes have received a great deal of research interest. Yet, almost all of them generate discrete shape representations, such as voxels, point clouds, and polygon meshes. We present the first 3D generative model…

Computer Vision and Pattern Recognition · Computer Science 2021-08-17 Rundi Wu , Chang Xiao , Changxi Zheng

We study how to generate molecule conformations (i.e., 3D structures) from a molecular graph. Traditional methods, such as molecular dynamics, sample conformations via computationally expensive simulations. Recently, machine learning…

Machine Learning · Computer Science 2021-04-01 Minkai Xu , Shitong Luo , Yoshua Bengio , Jian Peng , Jian Tang