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Learning to sample from complex unnormalized distributions is a fundamental challenge in computational physics and machine learning. While score-based and variational methods have achieved success in continuous domains, extending them to…

Machine Learning · Statistics 2026-03-11 Lei Li , Zhen Wang , Lishuo Zhang

While Markov chain Monte Carlo methods (MCMC) provide a general framework to sample from a probability distribution defined up to normalization, they often suffer from slow convergence to the target distribution when the latter is highly…

Machine Learning · Computer Science 2023-07-06 Tristan Deleu , Yoshua Bengio

In the field of inverse estimation for systems modeled by partial differential equations (PDEs), challenges arise when estimating high- (or even infinite-) dimensional parameters. Typically, the ill-posed nature of such problems…

Computational Engineering, Finance, and Science · Computer Science 2024-08-30 Yankun Hong , Harshit Bansal , Karen Veroy

Modeling the evolution of high-dimensional systems from limited snapshot observations at irregular time points poses a significant challenge in quantitative biology and related fields. Traditional approaches often rely on dimensionality…

Machine Learning · Computer Science 2025-08-07 Justin Lee , Behnaz Moradijamei , Heman Shakeri

Quantifying uncertainty in deep regression models is important both for understanding the confidence of the model and for safe decision-making in high-risk domains. Existing approaches that yield prediction intervals overlook distributional…

Machine Learning · Computer Science 2025-12-02 Adriel Sosa Marco , John Daniel Kirwan , Alexia Toumpa , Simos Gerasimou

Recently, score-based diffusion models have shown satisfactory performance in MRI reconstruction. Most of these methods require a large amount of fully sampled MRI data as a training set, which, sometimes, is difficult to acquire in…

Image and Video Processing · Electrical Eng. & Systems 2022-09-05 Zhuo-Xu Cui , Chentao Cao , Shaonan Liu , Qingyong Zhu , Jing Cheng , Haifeng Wang , Yanjie Zhu , Dong Liang

Estimating physical parameters from data is a crucial application of machine learning (ML) in the physical sciences. However, systematic uncertainties, such as detector miscalibration, induce data distribution distortions that can erode…

Data Analysis, Statistics and Probability · Physics 2025-05-14 Ibrahim Elsharkawy , Yonatan Kahn

We investigate the use of normalizing flow (NF) models as flexible priors in Bayesian inference via Markov Chain Monte Carlo (MCMC) sampling for iterative Bayesian calibration. Trained on posteriors from previous analyses, these models can…

Nuclear Theory · Physics 2026-04-02 Hendrik Roch , Chun Shen

We introduce Markov chain Monte Carlo (MCMC) algorithms based on numerical approximations of piecewise-deterministic Markov processes obtained with the framework of splitting schemes. We present unadjusted as well as adjusted algorithms,…

Probability · Mathematics 2025-11-04 Andrea Bertazzi , Paul Dobson , Pierre Monmarché

Normalizing Flows (NFs) are likelihood-based models for continuous inputs. They have demonstrated promising results on both density estimation and generative modeling tasks, but have received relatively little attention in recent years. In…

Computer Vision and Pattern Recognition · Computer Science 2025-06-09 Shuangfei Zhai , Ruixiang Zhang , Preetum Nakkiran , David Berthelot , Jiatao Gu , Huangjie Zheng , Tianrong Chen , Miguel Angel Bautista , Navdeep Jaitly , Josh Susskind

Conformal prediction (CP) constructs prediction sets with marginal coverage guarantees under the assumption that the calibration and test distributions are identical. However, under distribution shift, existing approaches primarily align…

Machine Learning · Computer Science 2026-05-05 Rui Xu , Xingyuan Chen , Wenxing Huang , Minxuan Huang , Weiyan Chen , Sihong Xie , Hui Xiong

Score-based generative models have demonstrated significant practical success in data-generating tasks. The models establish a diffusion process that perturbs the ground truth data to Gaussian noise and then learn the reverse process to…

Machine Learning · Computer Science 2024-05-24 Ziqing Wen , Xiaoge Deng , Ping Luo , Tao Sun , Dongsheng Li

Real-world fine-tuning of dexterous manipulation policies remains challenging due to limited real-world interaction budgets and highly multimodal action distributions. Diffusion-based policies, while expressive, do not permit conservative…

Robotics · Computer Science 2026-04-07 Chenyu Yang , Denis Tarasov , Davide Liconti , Hehui Zheng , Robert K. Katzschmann

We develop diffusion-based samplers for target distributions known up to a normalising constant. To this end, we rely on the well-known diffusion path that smoothly interpolates between a simple base distribution and the target, popularised…

Lack of standardization and various intrinsic parameters for magnetic resonance (MR) image acquisition results in heterogeneous images across different sites and devices, which adversely affects the generalization of deep neural networks.…

We propose a framework to perform Bayesian inference using conditional score-based diffusion models to solve a class of inverse problems in mechanics involving the inference of a specimen's spatially varying material properties from noisy…

We consider the theoretical analysis of Multiscale Sampling Methods, which are a new class of gradient-free Markov chain Monte Carlo (MCMC) methods for high dimensional inverse differential equation problems. A detailed presentation of…

Methodology · Statistics 2025-03-06 Lucas Seiffert , Felipe Pereira

We propose a new framework for efficiently sampling from complex probability distributions using a combination of normalizing flows and elliptical slice sampling (Murray et al., 2010). The central idea is to learn a diffeomorphism, through…

Methodology · Statistics 2023-03-28 Alberto Cabezas , Christopher Nemeth

Modeling real-world distributions can often be challenging due to sample data that are subjected to perturbations, e.g., instrumentation errors, or added random noise. Since flow models are typically nonlinear algorithms, they amplify these…

Machine Learning · Computer Science 2022-10-11 Sameera Ramasinghe , Kasun Fernando , Salman Khan , Nick Barnes

In many real-world engineering systems, the performance or reliability of the system is characterised by a scalar parameter. The distribution of this performance parameter is important in many uncertainty quantification problems, ranging…

Methodology · Statistics 2022-10-03 Robert Millar , Jinglai Li , Hui Li