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Optimization problems with nonlinear cost functions and combinatorial constraints appear in many real-world applications but remain challenging to solve efficiently compared to their linear counterparts. To bridge this gap, we propose…

Machine Learning · Computer Science 2023-07-20 Aaron Ferber , Taoan Huang , Daochen Zha , Martin Schubert , Benoit Steiner , Bistra Dilkina , Yuandong Tian

It is known that any continuous multivariate function can be represented exactly by a composition functions of a single variable - the so-called Kolmogorov-Arnold representation. It can be a convenient tool for tasks where it is required to…

Numerical Analysis · Mathematics 2025-02-04 Michael Poluektov , Andrew Polar

The development of a reliable and robust surrogate model is often constrained by the dimensionality of the problem. For a system with high-dimensional inputs/outputs (I/O), conventional approaches usually use a low-dimensional manifold to…

Image and Video Processing · Electrical Eng. & Systems 2020-10-01 Xihaier Luo , Ahsan Kareem

Data-driven surrogate models are widely used for applications such as design optimization and uncertainty quantification, where repeated evaluations of an expensive simulator are required. For most partial differential equation (PDE)…

Computational Physics · Physics 2019-10-18 Wei Xing , Robert M. Kirby , Shandian Zhe

The energy transition entails a rapid uptake of renewable energy sources. Besides physical changes within the grid infrastructure, energy storage devices and their smart operation are key measures to master the resulting challenges like,…

Optimization and Control · Mathematics 2019-11-13 Manuel Baumann , Sara Grundel , Philipp Sauerteig , Karl Worthmann

In astrophysical simulations, nuclear reacting flows pose computational challenges due to the stiffness of reaction networks. We introduce neural network-based surrogate models using the DeePODE framework to enhance simulation efficiency…

Instrumentation and Methods for Astrophysics · Physics 2025-10-14 Xiaoyu Zhang , Yuxiao Yi , Lile Wang , Zhi-Qin John Xu , Tianhan Zhang , Yao Zhou

To address the challenge of tractability for optimizing mathematical models in science and engineering, surrogate models are often employed. Recently, a new class of machine learning models named Kolmogorov Arnold Networks (KANs) have been…

Optimization and Control · Mathematics 2025-03-05 Tanuj Karia , Giacomo Lastrucci , Artur M. Schweidtmann

In this work we present a hybrid physics-based and data-driven learning approach to construct surrogate models for concurrent multiscale simulations of complex material behavior. We start from robust but inflexible physics-based…

Numerical Analysis · Mathematics 2023-02-01 I. B. C. M. Rocha , P. Kerfriden , F. P. van der Meer

The present study proposes a data-driven framework trained with high-fidelity simulation results to facilitate decision making for combustor designs. At its core is a surrogate model employing a machine-learning technique called kriging,…

Computational Engineering, Finance, and Science · Computer Science 2017-09-25 Shiang-Ting Yeh , Xingjian Wang , Chih-Li Sung , Simon Mak , Yu-Hung Chang , Liwei Zhang , C. F. Jeff Wu , Vigor Yang

Chemical Reaction Neural Networks (CRNNs) have emerged as an interpretable machine learning framework for discovering reaction kinetics directly from data, while strictly adhering to the Arrhenius and mass action laws. However, standard…

Chemical Physics · Physics 2026-05-15 Benjamin C. Koenig , Sili Deng

Surrogate machine-learning models are transforming computational materials science by predicting properties of materials with the accuracy of ab initio methods at a fraction of the computational cost. We demonstrate surrogate models that…

This study explores the application of Kolmogorov-Arnold Networks (KANs) in predicting nuclear binding energies, leveraging their ability to decompose complex multi-parameter systems into simpler univariate functions. By utilizing data from…

Nuclear Theory · Physics 2025-02-10 Hao Liu , Jin Lei , Zhongzhou Ren

Nuclear mass prediction is one of the core issues in nuclear physics research, yet it faces the challenge of small-sample datasets with high complexity. This study introduces the Kolmogorov-Arnold Network (KAN) into the refinement of…

Nuclear Theory · Physics 2026-03-17 Yanhua Lu , Tianshuai Shang , Pengxiang Du , Jian Li , Haozhao Liang

This paper introduces Kolmogorov-Arnold Networks (KAN) as an enhancement to the traditional linear probing method in transfer learning. Linear probing, often applied to the final layer of pre-trained models, is limited by its inability to…

Machine Learning · Computer Science 2024-09-13 Sheng Shen , Rabih Younes

The Kolmogorov-Arnold representation is a proven adequate replacement of a continuous multivariate function by an hierarchical structure of multiple functions of one variable. The proven existence of such representation inspired many…

Optimization and Control · Mathematics 2020-06-23 Andrew Polar , Michael Poluektov

Recent advances in combustion science have led to the generation of large volumes of data from high-fidelity simulations, detailed chemical-kinetic calculations and engine-relevant measurements and create new opportunities for data-driven…

Chemical Physics · Physics 2026-04-29 Amirali Shateri , Zhiyin Yang , Yuying Yan , Manosh C. Paul , Jianfei Xie

This work introduces a neural operator based surrogate modeling framework for neutron transport computation. Two architectures, the Deep Operator Network (DeepONet) and the Fourier Neural Operator (FNO), were trained for fixed source…

Computational Physics · Physics 2026-02-19 Md Hossain Sahadath , Qiyun Cheng , Shaowu Pan , Wei Ji

The research undertakes a comprehensive comparative analysis of Kolmogorov-Arnold Networks (KAN) and Multi-Layer Perceptrons (MLP), highlighting their effectiveness in solving essential computational challenges like nonlinear function…

Machine Learning · Computer Science 2026-01-16 Aradhya Gaonkar , Nihal Jain , Vignesh Chougule , Nikhil Deshpande , Sneha Varur , Channabasappa Muttal

We introduce a novel symbolic regression framework, namely KAN-SR, built on Kolmogorov Arnold Networks (KANs) which follows a divide-and-conquer approach. Symbolic regression searches for mathematical equations that best fit a given dataset…

Machine Learning · Computer Science 2025-09-15 Marco Andrea Bühler , Gonzalo Guillén-Gosálbez

Hydrogen's role is growing as an energy carrier, increasing the need for efficient production, with methane steam reforming being the most widely used technique. This process is crucial for applications like fuel cells, where hydrogen is…

Computational Engineering, Finance, and Science · Computer Science 2025-09-16 Zofia Pizoń , Shinji Kimijima , Grzegorz Brus