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Diffusion-based Neural Combinatorial Optimization (NCO) has demonstrated effectiveness in solving NP-complete (NPC) problems by learning discrete diffusion models for solution generation, eliminating hand-crafted domain knowledge. Despite…

Machine Learning · Computer Science 2026-03-12 Haoyu Lei , Kaiwen Zhou , Yinchuan Li , Zhitang Chen , Farzan Farnia

Inverse problems, i.e., estimating parameters of physical models from experimental data, are ubiquitous in science and engineering. The Bayesian formulation is the gold standard because it alleviates ill-posedness issues and quantifies…

Machine Learning · Statistics 2024-05-28 Sharmila Karumuri , Ilias Bilionis

This work proposes a Bayesian inference method for the reduced-order modeling of time-dependent systems. Informed by the structure of the governing equations, the task of learning a reduced-order model from data is posed as a Bayesian…

Numerical Analysis · Mathematics 2023-01-18 Mengwu Guo , Shane A. McQuarrie , Karen E. Willcox

Diffusion models have recently emerged as powerful generative models in medical imaging. However, it remains a major challenge to combine these data-driven models with domain knowledge to guide brain imaging problems. In neuroimaging,…

Computer Vision and Pattern Recognition · Computer Science 2025-12-19 Ana Lawry Aguila , Dina Zemlyanker , You Cheng , Sudeshna Das , Daniel C. Alexander , Oula Puonti , Annabel Sorby-Adams , W. Taylor Kimberly , Juan Eugenio Iglesias

We consider the simulation of Bayesian statistical inverse problems governed by large-scale linear and nonlinear partial differential equations (PDEs). Markov chain Monte Carlo (MCMC) algorithms are standard techniques to solve such…

Numerical Analysis · Mathematics 2021-02-09 Harbir Antil , Howard C Elman , Akwum Onwunta , Deepanshu Verma

Modern Bayesian inference involves a mixture of computational techniques for estimating, validating, and drawing conclusions from probabilistic models as part of principled workflows for data analysis. Typical problems in Bayesian workflows…

Simulating and controlling physical systems described by partial differential equations (PDEs) are crucial tasks across science and engineering. Recently, diffusion generative models have emerged as a competitive class of methods for these…

Machine Learning · Computer Science 2025-06-27 Peiyan Hu , Rui Wang , Xiang Zheng , Tao Zhang , Haodong Feng , Ruiqi Feng , Long Wei , Yue Wang , Zhi-Ming Ma , Tailin Wu

In Bayesian inverse problems sampling the posterior distribution is often a challenging task when the underlying models are computationally intensive. To this end, surrogates or reduced models are often used to accelerate the computation.…

Numerical Analysis · Mathematics 2019-09-04 Qifeng Liao , Jinglai Li

Diffusion models are powerful tools for sampling from high-dimensional distributions by progressively transforming pure noise into structured data through a denoising process. When equipped with a guidance mechanism, these models can also…

Machine Learning · Computer Science 2026-05-04 Saeed Mohseni-Sehdeh , Walid Saad , Kei Sakaguchi , Tao Yu

Online black-box optimization (BBO) aims to optimize an objective function by iteratively querying a black-box oracle in a sample-efficient way. While prior studies focus on forward approaches such as Gaussian Processes (GPs) to learn a…

Machine Learning · Computer Science 2025-02-04 Dongxia Wu , Nikki Lijing Kuang , Ruijia Niu , Yi-An Ma , Rose Yu

In this work, we focus on the alignment problem of diffusion models with a continuous reward function, which represents specific objectives for downstream tasks, such as increasing darkness or improving the aesthetics of images. The central…

Machine Learning · Computer Science 2024-10-03 Zhiwei Tang , Jiangweizhi Peng , Jiasheng Tang , Mingyi Hong , Fan Wang , Tsung-Hui Chang

We consider optimal experimental design (OED) problems in selecting the most informative observation sensors to estimate model parameters in a Bayesian framework. Such problems are computationally prohibitive when the…

Computational Engineering, Finance, and Science · Computer Science 2024-09-10 Jinwoo Go , Peng Chen

This paper presents an efficient mesh deformation method based on boundary integration and neural operators, formulating the problem as a linear elasticity boundary value problem (BVP). To overcome the high computational cost of traditional…

Numerical Analysis · Mathematics 2026-03-04 Zhengyu Wu , Jun Liu , Wei Wang

We introduce DiffFNO, a novel diffusion framework for arbitrary-scale super-resolution strengthened by a Weighted Fourier Neural Operator (WFNO). Mode Rebalancing in WFNO effectively captures critical frequency components, significantly…

Computer Vision and Pattern Recognition · Computer Science 2025-04-08 Xiaoyi Liu , Hao Tang

Machine learning methods for computational imaging require uncertainty estimation to be reliable in real settings. While Bayesian models offer a computationally tractable way of recovering uncertainty, they need large data volumes to be…

Machine Learning · Computer Science 2020-08-24 Francesco Tonolini , Jack Radford , Alex Turpin , Daniele Faccio , Roderick Murray-Smith

Neural operators improve conventional neural networks by expanding their capabilities of functional mappings between different function spaces to solve partial differential equations (PDEs). One of the most notable methods is the Fourier…

Machine Learning · Computer Science 2024-07-29 Xuanle Zhao , Yue Sun , Tielin Zhang , Bo Xu

Neural posterior estimation (NPE), a simulation-based computational approach for Bayesian inference, has shown great success in approximating complex posterior distributions. Existing NPE methods typically rely on normalizing flows, which…

Machine Learning · Statistics 2025-03-14 Tianyu Chen , Vansh Bansal , James G. Scott

Inverse problems arise almost everywhere in science and engineering where we need to infer on a quantity from indirect observation. The cases of medical, biomedical, and industrial imaging systems are the typical examples. A very high…

Machine Learning · Computer Science 2025-02-20 Ali Mohammad-Djafari

We propose the Factorized Fourier Neural Operator (F-FNO), a learning-based approach for simulating partial differential equations (PDEs). Starting from a recently proposed Fourier representation of flow fields, the F-FNO bridges the…

Machine Learning · Computer Science 2023-03-03 Alasdair Tran , Alexander Mathews , Lexing Xie , Cheng Soon Ong

We proposed the boundary-integral type neural networks (BINN) for the boundary value problems in computational mechanics. The boundary integral equations are employed to transfer all the unknowns to the boundary, then the unknowns are…

Machine Learning · Computer Science 2023-05-26 Jia Sun , Yinghua Liu , Yizheng Wang , Zhenhan Yao , Xiaoping Zheng