Siamese neural network improves the performance of a convolutional neural network in colloidal self-assembly state classification.

IF 3.1 2区 化学 Q3 CHEMISTRY, PHYSICAL Journal of Chemical Physics Pub Date : 2024-11-28 DOI:10.1063/5.0244337
Andres Lizano-Villalobos, Benjamin Namikas, Xun Tang
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Abstract

Identifying the state of the colloidal self-assembly process is critical to monitoring and controlling the system into desired configurations. Recent application of convolutional neural networks with unsupervised clustering has shown a comparable performance to conventional approaches, in representing and classifying the states of a simulated 2D colloidal batch assembly system. Despite the early success, capturing the subtle differences among similar configurations still presents a challenge. To address this issue, we leverage a Siamese neural network to improve the accuracy of the state classification. Results from a Brownian dynamics-simulated electric field-mediated colloidal self-assembly system and a magnetic field-mediated colloidal self-assembly system demonstrate significant improvement from the original convolutional neural network-based approach. We anticipate the proposed improvement to further pave the way for automated monitoring and control of colloidal self-assembly processes in real time and real space.

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暹罗神经网络提高了卷积神经网络在胶体自组装状态分类中的性能。
识别胶体自组装过程的状态对于监测和控制该系统达到所需的配置至关重要。在模拟二维胶体批量组装系统的状态表示和分类方面,卷积神经网络与无监督聚类的最新应用显示出与传统方法相当的性能。尽管取得了初步成功,但捕捉类似配置之间的细微差别仍是一项挑战。为了解决这个问题,我们利用连体神经网络来提高状态分类的准确性。布朗动力学模拟电场介导的胶体自组装系统和磁场介导的胶体自组装系统的结果表明,基于卷积神经网络的原始方法有了显著改善。我们预计所提出的改进将进一步为实时和真实空间胶体自组装过程的自动监测和控制铺平道路。
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来源期刊
Journal of Chemical Physics
Journal of Chemical Physics 物理-物理:原子、分子和化学物理
CiteScore
7.40
自引率
15.90%
发文量
1615
审稿时长
2 months
期刊介绍: The Journal of Chemical Physics publishes quantitative and rigorous science of long-lasting value in methods and applications of chemical physics. The Journal also publishes brief Communications of significant new findings, Perspectives on the latest advances in the field, and Special Topic issues. The Journal focuses on innovative research in experimental and theoretical areas of chemical physics, including spectroscopy, dynamics, kinetics, statistical mechanics, and quantum mechanics. In addition, topical areas such as polymers, soft matter, materials, surfaces/interfaces, and systems of biological relevance are of increasing importance. Topical coverage includes: Theoretical Methods and Algorithms Advanced Experimental Techniques Atoms, Molecules, and Clusters Liquids, Glasses, and Crystals Surfaces, Interfaces, and Materials Polymers and Soft Matter Biological Molecules and Networks.
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