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Effective molecular representation learning is crucial for advancing molecular property prediction and drug design. Mainstream molecular representation learning approaches are based on Graph Neural Networks (GNNs). However, these approaches…

Machine Learning · Computer Science 2024-11-12 Ruifeng Li , Mingqian Li , Wei Liu , Hongyang Chen

Recent advancements in Lyapunov-based Deep Neural Networks (Lb-DNNs) have demonstrated improved performance over shallow NNs and traditional adaptive control for nonlinear systems with uncertain dynamics. Existing Lb-DNNs rely on…

Systems and Control · Electrical Eng. & Systems 2025-12-29 Xuehui Shen , Wenqian Xue , Yixuan Wang , Warren E. Dixon

The modern digital engineering design often requires costly repeated simulations for different scenarios. The prediction capability of neural networks (NNs) makes them suitable surrogates for providing design insights. However, only a few…

Computational Engineering, Finance, and Science · Computer Science 2024-08-08 Diab W. Abueidda , Panos Pantidis , Mostafa E. Mobasher

This work introduces Probabilistic Kolmogorov-Arnold Network (P-KAN), a novel probabilistic extension of Kolmogorov-Arnold Networks (KANs) for time series forecasting. By replacing scalar weights with spline-based functional connections and…

Machine Learning · Computer Science 2025-10-21 Cristian J. Vaca-Rubio , Roberto Pereira , Luis Blanco , Engin Zeydan , Màrius Caus

The discovery of high-performance thermoelectric materials requires models that are both accurate and interpretable. Traditional machine learning approaches, while effective at property prediction, often act as black boxes and provide…

Materials Science · Physics 2025-12-15 Marco Fronzi , Michael J. Ford , Kamal Singh Nayal , Olexandr Isayev , Catherine Stampfl

A wide range of deep learning-based machine learning techniques are extensively applied to the design of high-entropy alloys (HEAs), yielding numerous valuable insights. Kolmogorov-Arnold Networks (KAN) is a recently developed architecture…

Materials Science · Physics 2025-03-04 Yagnik Bandyopadhyay , Harshil Avlani , Houlong L. Zhuang

Kolmogorov-Arnold Networks (KANs) have seen great success in scientific domains thanks to spline activation functions, becoming an alternative to Multi-Layer Perceptrons (MLPs). However, spline functions may not respect symmetry in tasks,…

Machine Learning · Computer Science 2025-08-18 Lexiang Hu , Yisen Wang , Zhouchen Lin

Causal inference is a critical task across fields such as healthcare, economics, and the social sciences. While recent advances in machine learning, especially those based on the deep-learning architectures, have shown potential in…

Machine Learning · Statistics 2024-12-30 Manqing Liu , David R. Bellamy , Andrew L. Beam

Segmentation of crop fields is essential for enhancing agricultural productivity, monitoring crop health, and promoting sustainable practices. Deep learning models adopted for this task must ensure accurate and reliable predictions to avoid…

Computer Vision and Pattern Recognition · Computer Science 2025-05-27 Daniele Rege Cambrin , Eleonora Poeta , Eliana Pastor , Tania Cerquitelli , Elena Baralis , Paolo Garza

Continual learning requires models to train continuously across consecutive tasks without forgetting. Most existing methods utilize linear classifiers, which struggle to maintain a stable classification space while learning new tasks.…

Computer Vision and Pattern Recognition · Computer Science 2025-03-28 Yusong Hu , Zichen Liang , Fei Yang , Qibin Hou , Xialei Liu , Ming-Ming Cheng

Permutation equivariant neural networks employing parameter-sharing schemes have emerged as powerful models for leveraging a wide range of data symmetries, significantly enhancing the generalization and computational efficiency of the…

Machine Learning · Computer Science 2026-03-10 Ran Elbaz , Guy Bar-Shalom , Yam Eitan , Fabrizio Frasca , Haggai Maron

While accurate, black-box system identification models lack interpretability of the underlying system dynamics. This paper proposes State-Space Kolmogorov-Arnold Networks (SS-KAN) to address this challenge by integrating Kolmogorov-Arnold…

Machine Learning · Computer Science 2025-06-24 Gonçalo Granjal Cruz , Balazs Renczes , Mark C Runacres , Jan Decuyper

Kolmogorov-Arnold Networks (KANs) have shown potential as an alternative to Multi-Layer Perceptrons (MLPs) in neural networks, providing universal function approximation with fewer parameters and reduced memory usage. In this paper, we…

Machine Learning · Computer Science 2024-09-04 Victor Augusto Kich , Jair Augusto Bottega , Raul Steinmetz , Ricardo Bedin Grando , Ayano Yorozu , Akihisa Ohya

The rapid development of deepfake generation techniques necessitates robust face forgery detection algorithms. While methods based on Convolutional Neural Networks (CNNs) and Transformers are effective, there is still room for improvement…

Computer Vision and Pattern Recognition · Computer Science 2026-02-17 Jiayao Jiang , Bin Liu , Qi Chu , Nenghai Yu

Inspired by the Kolmogorov-Arnold superposition theorem, Kolmogorov-Arnold Networks (KANs) have recently emerged as an improved backbone for most deep learning frameworks, promising more adaptivity than their multilayer perceptron (MLP)…

Machine Learning · Computer Science 2025-08-07 Anastasis Kratsios , Bum Jun Kim , Takashi Furuya

As time evolves, data within specific domains exhibit predictability that motivates time series forecasting to predict future trends from historical data. However, current deep forecasting methods can achieve promising performance but…

Machine Learning · Computer Science 2025-08-11 Ziran Liang , Rui An , Wenqi Fan , Yanghui Rao , Yuxuan Liang

Hyperspectral image classification is a crucial but challenging task due to the high dimensionality and complex spatial-spectral correlations inherent in hyperspectral data. This paper employs Wavelet-based Kolmogorov-Arnold Network…

Computer Vision and Pattern Recognition · Computer Science 2024-10-10 Seyd Teymoor Seydi , Zavareh Bozorgasl , Hao Chen

Kolmogorov-Arnold Networks (KANs) have emerged as a promising alternative to traditional Multilayer Perceptrons (MLPs) in deep learning. KANs have already been integrated into various architectures, such as convolutional neural networks,…

Machine Learning · Computer Science 2025-03-04 Ali Kashefi

We explore the integration of Kolmogorov Networks (KANs) into molecular dynamics (MD) simulations to improve interatomic potentials. We propose that widely used potentials, such as the Lennard-Jones (LJ) potential, the embedded atom model…

Materials Science · Physics 2024-07-26 Yuki Nagai , Masahiko Okumura

Kolmogorov-Arnold Networks (KANs), whose design is inspired-rather than dictated-by the Kolmogorov superposition theorem, have emerged as a structured alternative to MLPs. This review provides a systematic and comprehensive overview of the…

Machine Learning · Computer Science 2026-05-28 Amir Noorizadegan , Sifan Wang , Leevan Ling , Juan P. Dominguez-Morales