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We present a combined numerical and data-driven workflow for efficient prediction of nonlinear, instationary convection-diffusion-reaction dynamics on a two-dimensional phenotypic domain, motivated by macroscopic modeling of cancer cell…

Computational Engineering, Finance, and Science · Computer Science 2026-02-02 Michael Urs Lars Kastor , Jan Rottmayer , Anna Hundertmark , Nicolas Ralph Gauger

Surrogate models for computational simulations are input-output approximations that allow computationally intensive analyses, such as uncertainty propagation and inference, to be performed efficiently. When a simulation output does not…

Computational Engineering, Finance, and Science · Computer Science 2014-08-05 Alex A. Gorodetsky , Youssef M. Marzouk

We propose a novel image sampling method for differentiable image transformation in deep neural networks. The sampling schemes currently used in deep learning, such as Spatial Transformer Networks, rely on bilinear interpolation, which…

Computer Vision and Pattern Recognition · Computer Science 2019-09-11 Wei Jiang , Weiwei Sun , Andrea Tagliasacchi , Eduard Trulls , Kwang Moo Yi

AI-assisted molecular optimization is a very active research field as it is expected to provide the next-generation drugs and molecular materials. An important difficulty is that the properties to be optimized rely on costly evaluations.…

Machine Learning · Computer Science 2025-05-19 Jules Leguy , Thomas Cauchy , Beatrice Duval , Benoit Da Mota

Objective: Deep learning-based deformable image registration has achieved strong accuracy, but remains sensitive to variations in input image characteristics such as artifacts, field-of-view mismatch, or modality difference. We aim to…

Computer Vision and Pattern Recognition · Computer Science 2025-09-15 Yihao Liu , Junyu Chen , Lianrui Zuo , Shuwen Wei , Brian D. Boyd , Carmen Andreescu , Olusola Ajilore , Warren D. Taylor , Aaron Carass , Bennett A. Landman

A novel refinement measure for non-intrusive surrogate modelling of partial differential equations (PDEs) with uncertain parameters is proposed. Our approach uses an empirical interpolation procedure, where the proposed refinement measure…

Numerical Analysis · Mathematics 2019-07-10 Yous van Halder , Benjamin Sanderse , Barry Koren

We demonstrate how one can choose the smoothing parameter in image denoising by a statistical multiresolution criterion, both globally and locally. Using inhomogeneous diffusion and total variation regularization as examples for localized…

Methodology · Statistics 2010-02-01 Thomas Hotz , Philipp Marnitz , Rahel Stichtenoth , Laurie Davies , Zakhar Kabluchko , Axel Munk

Offline optimization is an important task in numerous material engineering domains where online experimentation to collect data is too expensive and needs to be replaced by an in silico maximization of a surrogate of the black-box function.…

Machine Learning · Computer Science 2025-03-07 Manh Cuong Dao , Phi Le Nguyen , Thao Nguyen Truong , Trong Nghia Hoang

Surrogate modeling for complex physical systems typically faces a trade-off between data-fitting accuracy and physical consistency. Physics-consistent approaches typically treat physical laws as soft constraints within the loss function, a…

Machine Learning · Computer Science 2026-01-30 José Afonso , Pedro Viegas , Rodrigo Ventura , Vasco Guerra

Surrogate models are frequently employed as efficient substitutes for the costly execution of real-world processes. However, constructing a high-quality surrogate model often demands extensive data acquisition. A solution to this issue is…

Machine Learning · Computer Science 2025-05-05 Shuaiqun Pan , Diederick Vermetten , Manuel López-Ibáñez , Thomas Bäck , Hao Wang

Large amount of image denoising literature focuses on single channel images and often experimentally validates the proposed methods on tens of images at most. In this paper, we investigate the interaction between denoising and…

Computer Vision and Pattern Recognition · Computer Science 2017-04-06 Jiqing Wu , Radu Timofte , Zhiwu Huang , Luc Van Gool

Optimizing expensive black-box systems with limited data is an extremely challenging problem. As a resolution, we present a new surrogate optimization approach by addressing two gaps in prior research -- unimportant input variables and…

Optimization and Control · Mathematics 2021-09-10 Hadis Anahideh , Jay Rosenberger , Victoria Chen

This paper investigates image denoising, comparing traditional non-learning-based techniques, represented by Block-Matching 3D (BM3D), with modern learning-based methods, exemplified by NBNet. We assess these approaches across diverse…

Image and Video Processing · Electrical Eng. & Systems 2025-11-11 Ghazal Kaviani , Reza Marzban , Ghassan AlRegib

Neural net classifiers trained on data with annotated class labels can also capture apparent visual similarity among categories without being directed to do so. We study whether this observation can be extended beyond the conventional…

Computer Vision and Pattern Recognition · Computer Science 2018-05-08 Zhirong Wu , Yuanjun Xiong , Stella Yu , Dahua Lin

Hyperspectral imaging has the potential to improve intraoperative decision making if tissue characterisation is performed in real-time and with high-resolution. Hyperspectral snapshot mosaic sensors offer a promising approach due to their…

Image and Video Processing · Electrical Eng. & Systems 2023-03-27 Peichao Li , Muhammad Asad , Conor Horgan , Oscar MacCormac , Jonathan Shapey , Tom Vercauteren

This paper proposes a new procedure in order to improve the performance of block matching and 3-D filtering (BM3D) image denoising algorithm. It is demonstrated that it is possible to achieve a better performance than that of BM3D algorithm…

Computer Vision and Pattern Recognition · Computer Science 2011-12-13 'Omid Pakdelazar' , 'Gholamali Rezai-rad'

Selecting cost-effective optimal sensor configurations for subsequent inference of parameters in black-box stochastic systems faces significant computational barriers. We propose a novel and robust approach, modelling the joint distribution…

Machine Learning · Statistics 2025-03-04 Paula Cordero-Encinar , Tobias Schröder , Peter Yatsyshin , Andrew Duncan

Self-supervised learning algorithms (SSL) based on instance discrimination have shown promising results, performing competitively or even outperforming supervised learning counterparts in some downstream tasks. Such approaches employ data…

Computer Vision and Pattern Recognition · Computer Science 2025-05-01 Mohammad Alkhalefi , Georgios Leontidis , Mingjun Zhong

Surrogate models of numerical relativity simulations of merging black holes provide the most accurate tools for gravitational-wave data analysis. Neural network-based surrogates promise evaluation speedups, but their accuracy relies on…

General Relativity and Quantum Cosmology · Physics 2025-05-21 Lucy M. Thomas , Katerina Chatziioannou , Vijay Varma , Scott E. Field

We propose a general framework for differentiating shapes represented in binary images with respect to their parameters. This framework functions as an automatic differentiation tool for shape parameters, generating both binary density maps…

Computational Physics · Physics 2024-12-04 Zhaocheng Liu , Jim Bonar