Kolmogorov–Arnold Network Made Learning Physics Laws Simple

In recent years, contrastive learning has gained widespread adoption in machine learning applications to physical systems primarily due to its distinctive cross-modal capabilities and scalability. Building on the foundation of Kolmogorov-Arnold Networks (KANs) [Liu, Z. et al. Kan: Kolmogorov-arnold networks. <i>arXiv</i> 2024, 2404.19756], we introduce a novel contrastive learning framework, Kolmogorov-Arnold Contrastive Crystal Property Pretraining (KCCP), which integrates the principles of CLIP and KAN to establish robust correlations between crystal structures and their physical properties. During the training process, we conducted a comparative analysis between Multilayer Perceptron (MLP) and KAN, revealing that KAN significantly outperforms MLP in both accuracy and convergence speed for this task. By extending the capabilities of contrastive learning to the realm of physical systems, KCCP offers a promising approach for constructing cross-data structural and cross-modal physical models, representing an area of considerable potential.

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Publication Details

Journal
The Journal of Physical Chemistry Letters
Published
2024-12-10
DOI
https://doi.org/10.1021/acs.jpclett.4c02589
Citations
13
Primary Topic
Machine Learning in Materials Science
Type
article
Field-Weighted Citation Impact
1.52

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article

Kolmogorov–Arnold Network Made Learning Physics Laws Simple

Shunbo Hu, Tianhao Su, Deng Pan, Boxue X. Du et al.
13 citations
The Journal of Physical Chemistry Letters
Machine Learning in Materials Science
1.52
article

Kolmogorov–Arnold Network Made Learning Physics Laws Simple

Shunbo Hu, Tianhao Su, Deng Pan, Boxue X. Du, Yue Wu, Jie Xiong
article en
13 citations

Abstract

In recent years, contrastive learning has gained widespread adoption in machine learning applications to physical systems primarily due to its distinctive cross-modal capabilities and scalability. Building on the foundation of Kolmogorov-Arnold Networks (KANs) [Liu, Z. et al. Kan: Kolmogorov-arnold networks. <i>arXiv</i> 2024, 2404.19756], we introduce a novel contrastive learning framework, Kolmogorov-Arnold Contrastive Crystal Property Pretraining (KCCP), which integrates the principles of CLIP and KAN to establish robust correlations between crystal structures and their physical properties. During the training process, we conducted a comparative analysis between Multilayer Perceptron (MLP) and KAN, revealing that KAN significantly outperforms MLP in both accuracy and convergence speed for this task. By extending the capabilities of contrastive learning to the realm of physical systems, KCCP offers a promising approach for constructing cross-data structural and cross-modal physical models, representing an area of considerable potential.

The Journal of Physical Chemistry LettersVol. 15(50)
Shanghai University (CN)
National Natural Science Foundation of China
Openalex Percentile: Top 13%
Machine Learning in Materials Science
1.52
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