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Bayesian methods are particularly effective for addressing inverse problems due to their ability to manage uncertainties inherent in the inference process. However, employing these methods with costly forward models poses significant…

Computational Engineering, Finance, and Science · Computer Science 2025-10-30 G. Robalo Rei , C. P. Schmidt , J. Nitzler , M. Dinkel , W. A. Wall

Bayesian inference for inverse problems involves computing expectations under posterior distributions -- e.g., posterior means, variances, or predictive quantities -- typically via Monte Carlo (MC) estimation. When the quantity of interest…

Machine Learning · Statistics 2026-02-26 Ali Siahkoohi , Hyunwoo Oh

Flow maps enable high-quality image generation in a single forward pass. However, unlike iterative diffusion models, their lack of an explicit sampling trajectory impedes incorporating external constraints for conditional generation and…

Computer Vision and Pattern Recognition · Computer Science 2026-03-10 Abbas Mammadov , So Takao , Bohan Chen , Ricardo Baptista , Morteza Mardani , Yee Whye Teh , Julius Berner

A Bayesian coreset is a small, weighted subset of data that replaces the full dataset during Bayesian inference, with the goal of reducing computational cost. Although past work has shown empirically that there often exists a coreset with…

Machine Learning · Statistics 2023-01-13 Naitong Chen , Zuheng Xu , Trevor Campbell

We propose a machine learning framework based on Flow Matching (FM) to identify critical properties in many-body systems efficiently. Using the 2D XY model as a benchmark, we demonstrate that a single network, trained only on configurations…

Statistical Mechanics · Physics 2026-01-06 Qian-Rui Lee , Daw-Wei Wang

Continuous diffusion and flow matching models could represent a powerful alternative to autoregressive approaches for language modelling (LM), as they unlock a host of advantages currently reserved for continuous modalities, including…

Machine Learning · Computer Science 2026-05-12 Oscar Davis , Anastasiia Filippova , Pierre Ablin , Victor Turrisi , Amitis Shidani , Marco Cuturi , Louis Béthune

Inverse problems involving partial differential equations (PDEs) are widely used in science and engineering. Although such problems are generally ill-posed, different regularisation approaches have been developed to ameliorate this problem.…

Applications · Statistics 2022-03-23 Jan Povala , Ieva Kazlauskaite , Eky Febrianto , Fehmi Cirak , Mark Girolami

Inverse ellipsometry, i.e., reconstructing optical constants and film thickness from the measured phase difference $\Delta$ and amplitude ratio $\Psi$, is a fundamentally ill-posed problem. Traditional solutions rely on slow, expert-driven…

Machine Learning · Computer Science 2026-03-20 Yiming Ma , Jianzhi Teng , Xinjie Li , Xin Sun , Zhiyong Wang , Yuzhou Song , Lionel Z. Wang , Bin Chen

A quality-Bayesian approach, combining the direct sampling method and the Bayesian inversion, is proposed to reconstruct the locations and intensities of the unknown acoustic sources using partial data. First, we extend the direct sampling…

Numerical Analysis · Mathematics 2020-04-10 Zhaoxing Li , Yanfang Liu , Jiguang Sun , Liwei Xu

High-dimensional Bayesian inverse analysis (dim >> 100) is mostly unfeasible for computationally demanding, nonlinear physics-based high-fidelity (HF) models. Usually, the use of more efficient gradient-based inference schemes is impeded if…

Computational Engineering, Finance, and Science · Computer Science 2025-09-22 Jonas Nitzler , Bugrahan Z. Temür , Phaedon-Stelios Koutsourelakis , Wolfgang A. Wall

This paper introduces a Bayesian framework that combines Markov chain Monte Carlo (MCMC) sampling, dimensionality reduction, and neural density estimation to efficiently handle inverse problems that (i) must be solved multiple times, and…

Computational Engineering, Finance, and Science · Computer Science 2026-02-24 Giacomo Bottacini , Matteo Torzoni , Andrea Manzoni

Generative models have emerged as a powerful paradigm for solving physics systems and modeling complex spatiotemporal dynamics. However, achieving high physical accuracy without incurring high computational cost remains a fundamental…

Machine Learning · Computer Science 2026-05-27 Jiahe Huang , Sihan Xu , Sharvaree Vadgama , Rose Yu

We present a computational framework for efficient learning, sampling, and distribution of general Bayesian posterior distributions. The framework leverages a machine learning approach for the construction of normalizing flows for the…

Nuclear Theory · Physics 2023-10-10 Yukari Yamauchi , Landon Buskirk , Pablo Giuliani , Kyle Godbey

Recent advancements in generative modeling, particularly diffusion models, have opened new directions for time series modeling, achieving state-of-the-art performance in forecasting and synthesis. However, the reliance of diffusion-based…

Machine Learning · Computer Science 2025-05-13 Marcel Kollovieh , Marten Lienen , David Lüdke , Leo Schwinn , Stephan Günnemann

Bayesian approaches are one of the primary methodologies to tackle an inverse problem in high dimensions. Such an inverse problem arises in hydrology to infer the permeability field given flow data in a porous media. It is common practice…

Methodology · Statistics 2023-10-02 Navid Shervani-Tabar

Trajectory prediction and generation are crucial for autonomous robots in dynamic environments. While prior research has typically focused on either prediction or generation, our approach unifies these tasks to provide a versatile framework…

Robotics · Computer Science 2024-11-08 Sean Ye , Matthew Gombolay

Accurate quantification of intracellular metabolic fluxes is central to systems biology and biotechnology. Flux estimation relies on biochemical network models, with $^{13}$C metabolic flux analysis (MFA) being the state-of-the-art…

Quantitative Methods · Quantitative Biology 2026-05-26 Johann F. Jadebeck , Anton Stratmann , Martin Beyß , Katharina Nöh

Recent works have presented promising results from the application of machine learning (ML) to the modeling of flow rates in oil and gas wells. Encouraging results and advantageous properties of ML models, such as computationally cheap…

Machine Learning · Computer Science 2022-01-10 Bjarne Grimstad , Mathilde Hotvedt , Anders T. Sandnes , Odd Kolbjørnsen , Lars S. Imsland

This paper is concerned with the approximation of probability distributions known up to normalization constants, with a focus on Bayesian inference for large-scale inverse problems in scientific computing. In this context, key challenges…

Machine Learning · Computer Science 2025-06-10 Baojun Che , Yifan Chen , Zhenghao Huan , Daniel Zhengyu Huang , Weijie Wang

Normalizing flow (NF) has gained popularity over traditional maximum likelihood based methods due to its strong capability to model complex data distributions. However, the standard approach, which maps the observed data to a normal…

Machine Learning · Computer Science 2022-11-22 Hanze Dong , Shizhe Diao , Weizhong Zhang , Tong Zhang