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Estimation of spatially-varying parameters for computationally expensive forward models governed by partial differential equations is addressed. A novel multiscale Bayesian inference approach is introduced based on deep probabilistic…

Machine Learning · Statistics 2022-03-02 Yingzhi Xia , Nicholas Zabaras

This paper introduces a unified theoretical perspective that views deep generative models as probability transformation functions. Despite the apparent differences in architecture and training methodologies among various types of generative…

Machine Learning · Computer Science 2025-06-23 Vitalii Bondar , Vira Babenko , Roman Trembovetskyi , Yurii Korobeinyk , Viktoriya Dzyuba

With the recent development of new geometric and angular-radial frameworks for multivariate extremes, reliably simulating from angular variables in moderate-to-high dimensions is of increasing importance. Empirical approaches have the…

Machine Learning · Statistics 2026-01-01 Jakob Benjamin Wessel , Callum J. R. Murphy-Barltrop , Emma S. Simpson

Deep generative models such as diffusion and flow matching are powerful machine learning tools capable of learning and sampling from high-dimensional distributions. They are particularly useful when the training data appears to be…

High Energy Physics - Phenomenology · Physics 2026-04-30 Zachary Bogorad , Ibrahim Elsharkawy , Yonatan Kahn , Andrew J. Larkoski , Noam Levi

Markov Chain Monte Carlo (MCMC) is a class of algorithms to sample complex and high-dimensional probability distributions. The Metropolis-Hastings (MH) algorithm, the workhorse of MCMC, provides a simple recipe to construct reversible…

Variational inference (VI) and Markov chain Monte Carlo (MCMC) are two main approximate approaches for learning deep generative models by maximizing marginal likelihood. In this paper, we propose using annealed importance sampling for…

Machine Learning · Statistics 2023-01-18 Xinqiang Ding , David J. Freedman

This paper presents a novel generative model to synthesize fluid simulations from a set of reduced parameters. A convolutional neural network is trained on a collection of discrete, parameterizable fluid simulation velocity fields. Due to…

Machine Learning · Computer Science 2019-09-05 Byungsoo Kim , Vinicius C. Azevedo , Nils Thuerey , Theodore Kim , Markus Gross , Barbara Solenthaler

We propose a deep generative Markov State Model (DeepGenMSM) learning framework for inference of metastable dynamical systems and prediction of trajectories. After unsupervised training on time series data, the model contains (i) a…

Machine Learning · Statistics 2019-01-14 Hao Wu , Andreas Mardt , Luca Pasquali , Frank Noe

Deep generative models are rapidly gaining traction in medical imaging. Nonetheless, most generative architectures struggle to capture the underlying probability distributions of volumetric data, exhibit convergence problems, and offer no…

Machine Learning · Computer Science 2019-07-29 Guilherme Pombo , Robert Gray , Tom Varsavsky , John Ashburner , Parashkev Nachev

Markov Chain Monte Carlo (MCMC) is a computational approach to fundamental problems such as inference, integration, optimization, and simulation. The field has developed a broad spectrum of algorithms, varying in the way they are motivated,…

Machine Learning · Computer Science 2020-07-01 Kirill Neklyudov , Max Welling , Evgenii Egorov , Dmitry Vetrov

Coarse-graining (CG) of molecular simulations simplifies the particle representation by grouping selected atoms into pseudo-beads and drastically accelerates simulation. However, such CG procedure induces information losses, which makes…

Machine Learning · Computer Science 2022-06-20 Wujie Wang , Minkai Xu , Chen Cai , Benjamin Kurt Miller , Tess Smidt , Yusu Wang , Jian Tang , Rafael Gómez-Bombarelli

Metropolis-Hastings (MH) is a foundational Markov chain Monte Carlo (MCMC) algorithm. In this paper, we ask whether it is possible to formulate and analyse MH in terms of categorical probability, using a recent involutive framework for…

Computation · Statistics 2026-02-02 Rob Cornish , Andi Q. Wang

This paper studies the fundamental problem of learning deep generative models that consist of multiple layers of latent variables organized in top-down architectures. Such models have high expressivity and allow for learning hierarchical…

Machine Learning · Statistics 2020-07-21 Erik Nijkamp , Bo Pang , Tian Han , Linqi Zhou , Song-Chun Zhu , Ying Nian Wu

Neural generative models can be used to learn complex probability distributions from data, to sample from them, and to produce probability density estimates. We propose a computational framework for developing neural generative models…

Machine Learning · Computer Science 2022-01-06 Alexander Ororbia , Daniel Kifer

In this work, we present and study Continuous Generative Neural Networks (CGNNs), namely, generative models in the continuous setting: the output of a CGNN belongs to an infinite-dimensional function space. The architecture is inspired by…

Machine Learning · Statistics 2025-06-25 Giovanni S. Alberti , Matteo Santacesaria , Silvia Sciutto

Diffusion models have emerged as a powerful framework for generative tasks in deep learning. They decompose generative modeling into two computational primitives: deterministic neural-network evaluation and stochastic sampling. Current…

Machine Learning · Computer Science 2026-03-31 Nihal Sanjay Singh , Mazdak Mohseni-Rajaee , Shaila Niazi , Kerem Y. Camsari

Deep generative priors offer powerful models for complex-structured data, such as images, audio, and text. Using these priors in inverse problems typically requires estimating the input and/or hidden signals in a multi-layer deep neural…

Machine Learning · Computer Science 2019-11-11 Parthe Pandit , Mojtaba Sahraee-Ardakan , Sundeep Rangan , Philip Schniter , Alyson K. Fletcher

In computational fluid dynamics, there is an inevitable trade off between accuracy and computational cost. In this work, a novel multi-fidelity deep generative model is introduced for the surrogate modeling of high-fidelity turbulent flow…

Computational Physics · Physics 2021-01-12 Nicholas Geneva , Nicholas Zabaras

Self-supervised neural language models have recently found wide applications in generative design of organic molecules and protein sequences as well as representation learning for downstream structure classification and functional…

Materials Science · Physics 2022-09-21 Lai Wei , Nihang Fu , Yuqi Song , Qian Wang , Jianjun Hu

Standard infinite-width limits of neural networks sacrifice the ability for intermediate layers to learn representations from data. Recent work (A theory of representation learning gives a deep generalisation of kernel methods, Yang et al.…

Machine Learning · Statistics 2024-02-27 Edward Milsom , Ben Anson , Laurence Aitchison