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Materials discovery is fundamental to advance next-generation technologies as well as for sustainable and circular economy. Beyond computational screening, generative models are efficient at finding materials with desired properties, via…

Posterior sampling by Monte Carlo methods provides a more comprehensive solution approach to inverse problems than computing point estimates such as the maximum posterior using optimization methods, at the expense of usually requiring many…

Numerical Analysis · Mathematics 2024-11-28 Paolo Villani , Daniel Andrés-Arcones , Jörg F. Unger , Martin Weiser

Generative adversarial networks (GANs) are a class of generative models, known for producing accurate samples. The key feature of GANs is that there are two antagonistic neural networks: the generator and the discriminator. The main…

Machine Learning · Computer Science 2025-08-05 Barbara Franci , Sergio Grammatico

We introduce the use of conditional generative adversarial networks forgeneralised gravitational wave burst generation in the time domain.Generativeadversarial networks are generative machine learning models that produce new databased on…

Instrumentation and Methods for Astrophysics · Physics 2021-08-11 J. McGinn , C. Messenger , I. S. Heng , M. J. Williams

Since most inverse problems arising in scientific and engineering applications are ill-posed, prior information about the solution space is incorporated, typically through regularization, to establish a well-posed problem with a unique…

Signal Processing · Electrical Eng. & Systems 2024-06-18 Carter Lyons , Raghu G. Raj , Margaret Cheney

We introduce a novel adaptive Gaussian Process Regression (GPR) methodology for efficient construction of surrogate models for Bayesian inverse problems with expensive forward model evaluations. An adaptive design strategy focuses on…

Numerical Analysis · Mathematics 2024-05-01 Paolo Villani , Jörg Unger , Martin Weiser

The Bayesian approach to Inverse Problems relies predominantly on Markov Chain Monte Carlo methods for posterior inference. The typical nonlinear concentration of posterior measure observed in many such Inverse Problems presents severe…

Computation · Statistics 2016-02-17 Shiwei Lan , Tan Bui-Thanh , Mike Christie , Mark Girolami

Over the last years, deep learning methods have become an increasingly popular choice to solve tasks from the field of inverse problems. Many of these new data-driven methods have produced impressive results, although most only give point…

Image and Video Processing · Electrical Eng. & Systems 2021-10-28 Alexander Denker , Maximilian Schmidt , Johannes Leuschner , Peter Maass

The performance of adversarial dialogue generation models relies on the quality of the reward signal produced by the discriminator. The reward signal from a poor discriminator can be very sparse and unstable, which may lead the generator to…

Computation and Language · Computer Science 2018-12-11 Ziming Li , Julia Kiseleva , Maarten de Rijke

Understanding the impact of data structure on the computational tractability of learning is a key challenge for the theory of neural networks. Many theoretical works do not explicitly model training data, or assume that inputs are drawn…

Machine Learning · Statistics 2022-05-23 Sebastian Goldt , Bruno Loureiro , Galen Reeves , Florent Krzakala , Marc Mézard , Lenka Zdeborová

Generating realistic vehicle speed trajectories is a crucial component in evaluating vehicle fuel economy and in predictive control of self-driving cars. Traditional generative models rely on Markov chain methods and can produce accurate…

Machine Learning · Computer Science 2021-12-17 Farnaz Behnia , Dominik Karbowski , Vadim Sokolov

We consider the inverse reinforcement learning problem, that is, the problem of learning from, and then predicting or mimicking a controller based on state/action data. We propose a statistical model for such data, derived from the…

Machine Learning · Statistics 2012-11-27 Sumeetpal S. Singh , Nicolas Chopin , Nick Whiteley

We explore a data-driven approach for learning to optimize neural networks. We construct a dataset of neural network checkpoints and train a generative model on the parameters. In particular, our model is a conditional diffusion transformer…

Machine Learning · Computer Science 2022-09-27 William Peebles , Ilija Radosavovic , Tim Brooks , Alexei A. Efros , Jitendra Malik

Deep generative models (e.g. GANs and VAEs) have been developed quite extensively in recent years. Lately, there has been an increased interest in the inversion of such a model, i.e. given a (possibly corrupted) signal, we wish to recover…

Machine Learning · Computer Science 2020-06-30 Aviad Aberdam , Dror Simon , Michael Elad

Generative diffusion models have recently emerged as a powerful strategy to perform stochastic sampling in Bayesian inverse problems, delivering remarkably accurate solutions for a wide range of challenging applications. However, diffusion…

Computation · Statistics 2025-05-15 Abdul-Lateef Haji-Ali , Marcelo Pereyra , Luke Shaw , Konstantinos Zygalakis

We introduce generative models for accelerating simulations of complex systems through learning and evolving their effective dynamics. In the proposed Generative Learning of Effective Dynamics (G-LED), instances of high dimensional data are…

Machine Learning · Computer Science 2024-02-28 Han Gao , Sebastian Kaltenbach , Petros Koumoutsakos

Inverse design, which seeks to find optimal parameters for a target output, is a central challenge in engineering. Surrogate-based optimization (SBO) has become a standard approach, yet it is fundamentally structured to converge to a…

Machine Learning · Computer Science 2025-10-08 Muhammad Arif Hakimi Zamrai

Generative models have emerged as powerful priors for solving inverse problems. These models typically represent a class of natural signals using a single fixed complexity or dimensionality. This can be limiting: depending on the problem, a…

Machine Learning · Computer Science 2026-03-11 Sean Gunn , Jorio Cocola , Oliver De Candido , Vaggos Chatziafratis , Paul Hand

Generative adversarial networks (GANs) learn a deep generative model that is able to synthesise novel, high-dimensional data samples. New data samples are synthesised by passing latent samples, drawn from a chosen prior distribution,…

Computer Vision and Pattern Recognition · Computer Science 2018-02-16 Antonia Creswell , Anil A Bharath

Generative control policies have recently unlocked major progress in robotics. These methods produce action sequences via diffusion or flow matching, with training data provided by demonstrations. But existing methods come with two key…

Robotics · Computer Science 2026-03-09 Vince Kurtz , Joel W. Burdick