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Accurate aerodynamic field prediction is crucial for vehicle drag evaluation, but the computational cost of high-fidelity CFD hinders its use in iterative design workflows. While learning-based methods enable fast and scalable inference,…

Computational Engineering, Finance, and Science · Computer Science 2026-02-25 Zhenhua Zheng , Lu Zhang , Junhong Zou , Shitong Liu , Zhen Lei , Xiangyu Zhu , Zhiyong Liu

Inverse problems, i.e., estimating parameters of physical models from experimental data, are ubiquitous in science and engineering. The Bayesian formulation is the gold standard because it alleviates ill-posedness issues and quantifies…

Machine Learning · Statistics 2024-05-28 Sharmila Karumuri , Ilias Bilionis

Integrating physics models within machine learning models holds considerable promise toward learning robust models with improved interpretability and abilities to extrapolate. In this work, we focus on the integration of incomplete physics…

Machine Learning · Computer Science 2021-10-28 Naoya Takeishi , Alexandros Kalousis

We propose the first Bayesian encoder for metric learning. Rather than relying on neural amortization as done in prior works, we learn a distribution over the network weights with the Laplace Approximation. We actualize this by first…

Machine Learning · Computer Science 2023-02-07 Frederik Warburg , Marco Miani , Silas Brack , Soren Hauberg

Machine learning methods for the construction of data-driven reduced order model models are used in an increasing variety of engineering domains, especially as a supplement to expensive computational fluid dynamics for design problems. An…

Machine Learning · Statistics 2023-06-28 Stephen Guth , Alireza Mojahed , Themistoklis P. Sapsis

Neural networks make accurate predictions but often fail to provide reliable uncertainty estimates, especially under covariate distribution shifts between training and testing. To address this problem, we propose a Bayesian framework for…

Machine Learning · Statistics 2025-12-22 Yuli Slavutsky , David M. Blei

Bayesian Neural Networks provide a principled framework for uncertainty quantification by modeling the posterior distribution of network parameters. However, exact posterior inference is computationally intractable, and widely used…

Machine Learning · Computer Science 2025-12-02 Alfredo Reichlin , Miguel Vasco , Danica Kragic

Ultrametric matrices are a class of covariance matrices that arise in latent tree models. As a parameter space in a statistical model, the set of ultrametric matrices is neither convex nor a smooth manifold. Focus in the literature has…

Methodology · Statistics 2025-04-28 Tsung-Hung Yao , Zhenke Wu , Karthik Bharath , Veerabhadran Baladandayuthapani

While neural networks have demonstrated impressive performance across various tasks, accurately quantifying uncertainty in their predictions is essential to ensure their trustworthiness and enable widespread adoption in critical systems.…

Machine Learning · Statistics 2025-11-11 Joseph Wilson , Chris van der Heide , Liam Hodgkinson , Fred Roosta

Finite mixtures are a broad class of models useful in scenarios where observed data is generated by multiple distinct processes but without explicit information about the responsible process for each data point. Estimating Bayesian mixture…

Machine Learning · Statistics 2026-03-17 Šimon Kucharský , Paul Christian Bürkner

Deep generative models have been accelerating the inverse design process in material and drug design. Unlike their counterpart property predictors in typical molecular design frameworks, generative molecular design models have seen fewer…

Machine Learning · Computer Science 2024-11-06 A N M Nafiz Abeer , Sanket Jantre , Nathan M Urban , Byung-Jun Yoon

We present a Bayesian approach to identify optimal transformations that map model input points to low dimensional latent variables. The "projection" mapping consists of an orthonormal matrix that is considered a priori unknown and needs to…

Machine Learning · Statistics 2021-09-22 Panagiotis Tsilifis , Piyush Pandita , Sayan Ghosh , Valeria Andreoli , Thomas Vandeputte , Liping Wang

Latent space geometry provides a rigorous and empirically valuable framework for interacting with the latent variables of deep generative models. This approach reinterprets Euclidean latent spaces as Riemannian through a pull-back metric,…

Machine Learning · Statistics 2024-08-15 Stas Syrota , Pablo Moreno-Muñoz , Søren Hauberg

Post-data statistical inference concerns making probability statements about model parameters conditional on observed data. When a priori knowledge about parameters is available, post-data inference can be conveniently made from Bayesian…

Statistics Theory · Mathematics 2025-06-05 Yang Liu , Jan Hannig , Alexander C Murph

Sensitivity analyses reveal the influence of various modeling choices on the outcomes of statistical analyses. While theoretically appealing, they are overwhelmingly inefficient for complex Bayesian models. In this work, we propose…

Autoregressive Sequence-To-Sequence models are the foundation of many Deep Learning achievements in major research fields such as Vision and Natural Language Processing. Despite that, they still present significant limitations. For…

Computation and Language · Computer Science 2024-08-27 Jia Cheng Hu , Roberto Cavicchioli , Alessandro Capotondi

Recent advances in reconstruction methods for inverse problems leverage powerful data-driven models, e.g., deep neural networks. These techniques have demonstrated state-of-the-art performances for several imaging tasks, but they often do…

Computer Vision and Pattern Recognition · Computer Science 2020-10-20 Riccardo Barbano , Chen Zhang , Simon Arridge , Bangti Jin

Simulation-based inference (SBI) refers to statistical inference on stochastic models for which we can generate samples, but not compute likelihoods. Like SBI algorithms, generative adversarial networks (GANs) do not require explicit…

Machine learning methods for computational imaging require uncertainty estimation to be reliable in real settings. While Bayesian models offer a computationally tractable way of recovering uncertainty, they need large data volumes to be…

Machine Learning · Computer Science 2020-08-24 Francesco Tonolini , Jack Radford , Alex Turpin , Daniele Faccio , Roderick Murray-Smith

This work describes a novel data-driven latent space inference framework built on paired autoencoders to handle observational inconsistencies when solving inverse problems. Our approach uses two autoencoders, one for the parameter space and…

Machine Learning · Computer Science 2026-01-19 Emma Hart , Bas Peters , Julianne Chung , Matthias Chung