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We investigate a deep learning approach to efficiently perform Bayesian inference in partial differential equation (PDE) and integral equation models over potentially high-dimensional parameter spaces. The contributions of this paper are…

Numerical Analysis · Mathematics 2021-03-26 Teo Deveney , Eike Mueller , Tony Shardlow

Markov chain Monte Carlo (MCMC) methods are fundamental to Bayesian computation, but can be computationally intensive, especially in high-dimensional settings. Push-forward generative models, such as generative adversarial networks (GANs),…

Machine Learning · Computer Science 2026-02-25 Jonathan Spence , Tobías I. Liaudat , Konstantinos Zygalakis , Marcelo Pereyra

Learning dynamics governed by differential equations is crucial for predicting and controlling the systems in science and engineering. Neural Ordinary Differential Equation (NODE), a deep learning model integrated with differential…

Machine Learning · Computer Science 2021-11-09 Shiqi Gong , Qi Meng , Yue Wang , Lijun Wu , Wei Chen , Zhi-Ming Ma , Tie-Yan Liu

Bayesian inference provides a methodology for parameter estimation and uncertainty quantification in machine learning and deep learning methods. Variational inference and Markov Chain Monte-Carlo (MCMC) sampling methods are used to…

Machine Learning · Statistics 2024-08-27 Rohitash Chandra , Joshua Simmons

Derivative-Free Optimization (DFO) involves methods that rely solely on evaluations of the objective function. One of the earliest strategies for designing DFO methods is to adapt first-order methods by replacing gradients with…

Optimization and Control · Mathematics 2025-02-12 Timothé Taminiau , Estelle Massart , Geovani Nunes Grapiglia

This paper focuses on dynamic origin-destination matrix estimation (DODE), a crucial calibration process necessary for the effective application of microscopic traffic simulations. The fundamental challenge of the DODE problem in…

Machine Learning · Computer Science 2026-03-26 Donggyu Min , Seongjin Choi , Dong-Kyu Kim

Developing accurate, data-efficient surrogate models is central to advancing AI for Science. Neural operators (NOs), which approximate mappings between infinite-dimensional function spaces using conventional neural architectures, have…

Machine Learning · Computer Science 2025-09-26 Dibyajyoti Nayak , Somdatta Goswami

We consider large-scale Markov decision processes (MDPs) with an unknown cost function and employ stochastic convex optimization tools to address the problem of imitation learning, which consists of learning a policy from a finite set of…

Machine Learning · Computer Science 2022-01-04 Angeliki Kamoutsi , Goran Banjac , John Lygeros

This work introduces a new method designed for Bayesian deep learning called scalable Bayesian Monte Carlo (SBMC). The method is comprised of a model and an algorithm. The model interpolates between a point estimator and the posterior. The…

Bayesian inference in the presence of an intractable likelihood function is computationally challenging. When following a Markov chain Monte Carlo (MCMC) approach to approximate the posterior distribution in this context, one typically…

Methodology · Statistics 2019-10-03 Johan Alenlöv , Arnaud Doucet , Fredrik Lindsten

Engineering problems frequently require solution of governing equations with spatially-varying discontinuous coefficients. Even for linear elliptic problems, mapping large ensembles of coefficient fields to solutions can become a major…

Machine Learning · Computer Science 2024-11-12 Conlain Kelly , Surya R. Kalidindi

Importance sampling (IS) is commonly used for cross validation (CV) in Bayesian models, because it only involves reweighting existing posterior draws without needing to re-estimate the model by re-running Markov chain Monte Carlo (MCMC).…

Computation · Statistics 2025-08-12 Geonhee Han , Andrew Gelman

In this work, we propose a set of physics-informed geometric operators (GOs) to enrich the geometric data provided for training surrogate/discriminative models, dimension reduction, and generative models, typically employed for performance…

Machine Learning · Computer Science 2024-07-11 Shahroz Khan , Zahid Masood , Muhammad Usama , Konstantinos Kostas , Panagiotis Kaklis , Wei , Chen

Bayesian Decision Trees (DTs) are generally considered a more advanced and accurate model than a regular Decision Tree (DT) because they can handle complex and uncertain data. Existing work on Bayesian DTs uses Markov Chain Monte Carlo…

Machine Learning · Computer Science 2023-05-31 Efthyvoulos Drousiotis , Alexander M. Phillips , Paul G. Spirakis , Simon Maskell

Open-Set Object Detection (OSOD) enables recognition of novel categories beyond fixed classes but faces challenges in aligning text representations with complex visual concepts and the scarcity of image-text pairs for rare categories. This…

Computer Vision and Pattern Recognition · Computer Science 2026-04-08 Weifu Fu , Jinyang Li , Bin-Bin Gao , Jialin Li , Yuhuan Lin , Hanqiu Deng , Wenbing Tao , Yong Liu , Chengjie Wang

Mesh-based simulations play a key role when modeling complex physical systems that, in many disciplines across science and engineering, require the solution of parametrized time-dependent nonlinear partial differential equations (PDEs). In…

Numerical Analysis · Mathematics 2023-08-04 Nicola Rares Franco , Stefania Fresca , Filippo Tombari , Andrea Manzoni

Accurate estimates of long-term risk probabilities and their gradients are critical for many stochastic safe control methods. However, computing such risk probabilities in real-time and in unseen or changing environments is challenging.…

Systems and Control · Electrical Eng. & Systems 2024-08-20 Zhuoyuan Wang , Yorie Nakahira

Data-driven evolutionary algorithms has shown surprising results in addressing expensive optimization problems through robust surrogate modeling. Though promising, existing surrogate modeling schemes may encounter limitations in complex…

Neural and Evolutionary Computing · Computer Science 2025-12-18 Xian-Rong Zhang , Yue-Jiao Gong , Zeyuan Ma , Jun Zhang

With increasing data and model complexities, the time required to train neural networks has become prohibitively large. To address the exponential rise in training time, users are turning to data parallel neural networks (DPNN) to utilize…

Machine Learning · Computer Science 2022-02-09 Daniel Coquelin , Charlotte Debus , Markus Götz , Fabrice von der Lehr , James Kahn , Martin Siggel , Achim Streit

Markov chain Monte Carlo (MCMC) is the predominant tool used in Bayesian parameter estimation for hierarchical models. When the model expands due to an increasing number of hierarchical levels, number of groups at a particular level, or…

Computation · Statistics 2016-06-22 Will Landau , Jarad Niemi
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