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We introduce Deep Jump Gaussian Processes (DJGP), a novel method for surrogate modeling of a piecewise continuous function on a high-dimensional domain. DJGP addresses the limitations of conventional Jump Gaussian Processes (JGP) in…

Machine Learning · Computer Science 2026-01-16 Yang Xu , Chiwoo Park

The data-centric construction of inexpensive surrogates for fine-grained, physical models has been at the forefront of computational physics due to its significant utility in many-query tasks such as uncertainty quantification. Recent…

Machine Learning · Statistics 2021-03-17 Maximilian Rixner , Phaedon-Stelios Koutsourelakis

Bayesian optimization is a highly efficient approach to optimizing objective functions which are expensive to query. These objectives are typically represented by Gaussian process (GP) surrogate models which are easy to optimize and support…

Machine Learning · Computer Science 2024-05-09 Yucen Lily Li , Tim G. J. Rudner , Andrew Gordon Wilson

This paper puts forward an integrated microstructure design methodology that replaces the common existing design approaches: 1) reconstruction of microstructures, 2) analyzing and quantifying material properties, and 3) inverse design of…

Materials Science · Physics 2023-07-18 Kang-Hyun Lee , Hyoung Jun Lim , Gun Jin Yun

Plug-and-play (PnP) methods are widely used for solving imaging inverse problems by incorporating a denoiser into optimization algorithms. Score-based diffusion models (SBDMs) have recently demonstrated strong generative performance through…

Computer Vision and Pattern Recognition · Computer Science 2026-04-07 Chicago Y. Park , Edward P. Chandler , Yuyang Hu , Michael T. McCann , Cristina Garcia-Cardona , Brendt Wohlberg , Ulugbek S. Kamilov

The Bin Packing Problem (BPP) has attracted enthusiastic research interest recently, owing to widespread applications in logistics and warehousing environments. It is truly essential to optimize the bin packing to enable more objects to be…

Robotics · Computer Science 2024-03-20 Baoying Wang , Huixu Dong

In this paper, we propose the generative patch prior (GPP) that defines a generative prior for compressive image recovery, based on patch-manifold models. Unlike learned, image-level priors that are restricted to the range space of a…

Computer Vision and Pattern Recognition · Computer Science 2020-10-06 Rushil Anirudh , Suhas Lohit , Pavan Turaga

Deep Probabilistic Programming (DPP) allows powerful models based on recursive computation to be learned using efficient deep-learning optimization techniques. Additionally, DPP offers a unified perspective, where inference and learning…

Machine Learning · Computer Science 2022-03-31 Jonathan Warrell , Mark Gerstein

Generative priors have been shown to provide improved results over sparsity priors in linear inverse problems. However, current state of the art methods suffer from one or more of the following drawbacks: (a) speed of recovery is slow; (b)…

Image and Video Processing · Electrical Eng. & Systems 2021-01-14 Jasjeet Dhaliwal , Kyle Hambrook

Recently, deep generative models have been used for posterior inference in inverse problems, including high-stakes applications in medical imaging and scientific discovery, where the uncertainty of a prediction can matter as much as the…

Machine Learning · Computer Science 2026-05-15 Yuxin Guo , Dongrui Deng , Pulkit Grover

Adjoint-based optimization methods are attractive for aerodynamic shape design primarily due to their computational costs being independent of the dimensionality of the input space and their ability to generate high-fidelity gradients that…

Computational Physics · Physics 2020-08-18 S. Ashwin Renganathan , Romit Maulik and , Jai Ahuja

A data-free, predictive scientific AI model, Tensor-decomposition-based A Priori Surrogate (TAPS), is proposed for tackling ultra large-scale engineering simulations with significant speedup, memory savings, and storage gain. TAPS can…

Computational Engineering, Finance, and Science · Computer Science 2025-10-28 Jiachen Guo , Gino Domel , Chanwook Park , Hantao Zhang , Ozgur Can Gumus , Ye Lu , Gregory J. Wagner , Dong Qian , Jian Cao , Thomas J. R. Hughes , Wing Kam Liu

Intelligent Object manipulation for grasping is a challenging problem for robots. Unlike robots, humans almost immediately know how to manipulate objects for grasping due to learning over the years. A grown woman can grasp objects more…

Machine Learning · Computer Science 2020-01-16 Priya Shukla , Hitesh Kumar , G. C. Nandi

Designing composite materials as per the application requirements is fundamentally a challenging and time consuming task. Here we report the development of a deep neural network based computational framework capable of solving the forward…

Materials Science · Physics 2022-09-14 Ashank , Soumen Chakravarty , Pranshu Garg , Ankit Kumar , Manish Agrawal , Prabhat K. Agnihotri

Inverse problems governed by partial differential equations (PDEs) play a crucial role in various fields, including computational science, image processing, and engineering. Particularly, Darcy flow equation is a fundamental equation in…

Machine Learning · Statistics 2025-07-24 Hongji Wang , Hongqiao Wang , Jinyong Ying , Qingping Zhou

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

Parametric partial differential equations (PDEs) serve as fundamental mathematical tools for modeling complex physical phenomena, yet repeated high-fidelity numerical simulations across parameter spaces remain computationally prohibitive.…

Machine Learning · Statistics 2026-04-08 Pucheng Tang , Hongqiao Wang , Wenzhou Lin , Qian Chen , Heng Yong

In many scientific domains, clustering aims to reveal interpretable latent structure that reflects relevant subpopulations or processes. Widely used Bayesian mixture models for model-based clustering often produce overlapping or redundant…

Methodology · Statistics 2025-10-13 Ziyi Song , Federico Camerlenghi , Weining Shen , Michele Guindani , Mario Beraha

Understanding how nano- or micro-scale structures and material properties can be optimally configured to attain specific functionalities remains a fundamental challenge. Photonic metasurfaces, for instance, can be spectrally tuned through…

In recent years, there have been significant advances in the use of deep learning methods in inverse problems such as denoising, compressive sensing, inpainting, and super-resolution. While this line of works has predominantly been driven…

Machine Learning · Statistics 2023-01-31 Jonathan Scarlett , Reinhard Heckel , Miguel R. D. Rodrigues , Paul Hand , Yonina C. Eldar