Kolmogorov–Arnold Network Made Learning Physics Laws Simple

IF 4.8 2区 化学 Q2 CHEMISTRY, PHYSICAL
Yue Wu, Tianhao Su, Bingsheng Du, Shunbo Hu, Jie Xiong, Deng Pan
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引用次数: 0

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. arXiv 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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来源期刊
The Journal of Physical Chemistry Letters
The Journal of Physical Chemistry Letters CHEMISTRY, PHYSICAL-NANOSCIENCE & NANOTECHNOLOGY
CiteScore
9.60
自引率
7.00%
发文量
1519
审稿时长
1.6 months
期刊介绍: The Journal of Physical Chemistry (JPC) Letters is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, chemical physicists, physicists, material scientists, and engineers. An important criterion for acceptance is that the paper reports a significant scientific advance and/or physical insight such that rapid publication is essential. Two issues of JPC Letters are published each month.
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