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In chemical process engineering, surrogate models of complex systems are often necessary for tasks of domain exploration, sensitivity analysis of the design parameters, and optimization. A suite of computational fluid dynamics (CFD)…

Computational Engineering, Finance, and Science · Computer Science 2020-09-09 Gabriel F. N. Gonçalves , Assen Batchvarov , Yuyi Liu , Yuxin Liu , Lachlan Mason , Indranil Pan , Omar K. Matar

Uncertainty quantification (UQ) plays a pivotal role in scientific machine learning, especially when surrogate models are used to approximate complex systems. Although multilayer perceptions (MLPs) are commonly employed as surrogates, they…

Numerical Analysis · Mathematics 2025-01-22 Zhiwei Gao , George Em Karniadakis

Nonequilibrium chemistry is central to many astrophysical environments but remains a major computational bottleneck in simulations because solving the associated stiff ODE systems is expensive. Neural surrogates promise large speedups, yet…

Astrophysics of Galaxies · Physics 2026-04-15 Robin Janssen , Lorenzo Branca , Tobias Buck

Microbial Fuel Cells (MFCs) offer a promising pathway for sustainable energy generation by converting organic matter into electricity through microbial processes. A key factor influencing MFC performance is the anode structure, where design…

Artificial Intelligence · Computer Science 2025-11-19 Mohammad Reza Shafie , Morteza Hajiabadi , Hamed Khosravi , Mobina Noori , Imtiaz Ahmed

Kolmogorov-Arnold Networks (KANs) relocate learnable nonlinearities from nodes to edges, demonstrating remarkable capabilities in scientific machine learning and interpretable modeling. However, current KAN implementations suffer from…

Neural and Evolutionary Computing · Computer Science 2025-09-25 Alastair Poole , Stig McArthur , Saravan Kumar

The recent development of Kolmogorov-Arnold Networks (KANs) has found its application in the field of Graph Neural Networks (GNNs) particularly in molecular data modeling and potential drug discovery. Kolmogorov-Arnold Graph Neural Networks…

Machine Learning · Computer Science 2026-01-27 Nikita Volzhin , Soowhan Yoon

Developing accurate, data-efficient surrogate models is central to advancing AI for Science. Neural operators (NOs), which approximate mappings between infinite-dimensional function spaces using conventional neural architectures, have…

Machine Learning · Computer Science 2025-09-26 Dibyajyoti Nayak , Somdatta Goswami

Magnetohydrodynamic (MHD) effects play a key role in the design and operation of nuclear fusion systems, where electrically conducting fluids (such as liquid metals or molten salts in reactor blankets) interact with magnetic fields of…

Machine Learning · Computer Science 2026-03-12 M. Lo Verso , C. Introini , E. Cervi , L. Savoldi , J. N. Kutz , A. Cammi

This paper introduces a novel application of Kolmogorov-Arnold Networks (KANs) to time series forecasting, leveraging their adaptive activation functions for enhanced predictive modeling. Inspired by the Kolmogorov-Arnold representation…

Signal Processing · Electrical Eng. & Systems 2025-10-28 Cristian J. Vaca-Rubio , Luis Blanco , Roberto Pereira , Màrius Caus

Highly accurate datasets from numerical or physical experiments are often expensive and time-consuming to acquire, posing a significant challenge for applications that require precise evaluations, potentially across multiple scenarios and…

Machine Learning · Computer Science 2026-02-06 Paolo Conti , Mengwu Guo , Attilio Frangi , Andrea Manzoni

Building design optimization often depends on physics-based simulation tools such as EnergyPlus, which, although accurate, are computationally expensive and slow. Surrogate models provide a faster alternative, yet most are…

Machine Learning · Computer Science 2026-03-13 Piragash Manmatharasan , Girma Bitsuamlak , Katarina Grolinger

Crash simulations play an essential role in improving vehicle safety, design optimization, and injury risk estimation. Unfortunately, numerical solutions of such problems using state-of-the-art high-fidelity models require significant…

Machine Learning · Computer Science 2024-02-16 Jonas Kneifl , Jörg Fehr , Steven L. Brunton , J. Nathan Kutz

Modeling the evolution of physical systems is critical to many applications in science and engineering. As the evolution of these systems is governed by partial differential equations (PDEs), there are a number of computational simulations…

Machine Learning · Computer Science 2025-03-17 Bharat Srikishan , Daniel O'Malley , Mohamed Mehana , Nicholas Lubbers , Nikhil Muralidhar

In the framework of reduced basis methods, we recently introduced a new certified hierarchical and adaptive surrogate model, which can be used for efficient approximation of input-output maps that are governed by parametrized partial…

Numerical Analysis · Mathematics 2023-03-01 Tizian Wenzel , Bernard Haasdonk , Hendrik Kleikamp , Mario Ohlberger , Felix Schindler

The morphology of nanostructured materials exhibiting a polydisperse porous space, such as aerogels, is very open porous and fine grained. Therefore, a simulation of the deformation of a large aerogel structure resolving the nanostructure…

Numerical Analysis · Mathematics 2024-03-04 Axel Klawonn , Martin Lanser , Lucas Mager , Ameya Rege

In this paper, we propose to use Sinc interpolation in the context of Kolmogorov-Arnold Networks, neural networks with learnable activation functions, which recently gained attention as alternatives to Multilayer Perceptron. Many different…

Machine Learning · Computer Science 2026-05-28 Tianchi Yu , Jingwei Qiu , Jiang Yang , Ivan Oseledets

A surrogate-based topology optimisation algorithm for linear elastic structures under parametric loads and boundary conditions is proposed. Instead of learning the parametric solution of the state (and adjoint) problems or the optimisation…

Numerical Analysis · Mathematics 2025-11-04 Matteo Giacomini , Antonio Huerta

This study presents an integrated modeling and optimization framework for a steam methane reforming (SMR) reactor, combining a mathematical model, artificial neural network (ANN)-based hybrid modeling, advanced multi-objective optimization…

Chemical Physics · Physics 2025-07-11 Seyed Reza Nabavi , Zonglin Guo , Zhiyuan Wang

In this paper, we present Convolutional Kolmogorov-Arnold Networks, a novel architecture that integrates the learnable spline-based activation functions of Kolmogorov-Arnold Networks (KANs) into convolutional layers. By replacing…

Computer Vision and Pattern Recognition · Computer Science 2025-04-01 Alexander Dylan Bodner , Antonio Santiago Tepsich , Jack Natan Spolski , Santiago Pourteau

Coarse-scale surrogate models in the context of numerical homogenization of linear elliptic problems with arbitrary rough diffusion coefficients rely on the efficient solution of fine-scale sub-problems on local subdomains whose solutions…

Numerical Analysis · Mathematics 2022-09-07 Fabian Kröpfl , Roland Maier , Daniel Peterseim
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