Detection of diffusion anisotropy from an individual short particle trajectory

Kaito Takanami, Daisuke Taniguchi, Masafumi Kuroda, Sawako Enoki, Yasushi Okada, Yoshiyuki Kabashima
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Abstract

In parallel with advances in microscale imaging techniques, the fields of biology and materials science have focused on precisely extracting particle properties based on their diffusion behavior. Although the majority of real-world particles exhibit anisotropy, their behavior has been studied less than that of isotropic particles. In this study, we introduce a method for estimating the diffusion coefficients of individual anisotropic particles using short-trajectory data on the basis of a maximum likelihood framework. Traditional estimation techniques often use mean-squared displacement (MSD) values or other statistical measures that inherently remove angular information. Instead, we treated the angle as a latent variable and used belief propagation to estimate it while maximizing the likelihood using the expectation-maximization algorithm. Compared to conventional methods, this approach facilitates better estimation of shorter trajectories and faster rotations, as confirmed by numerical simulations and experimental data involving bacteria and quantum rods. Additionally, we performed an analytical investigation of the limits of detectability of anisotropy and provided guidelines for the experimental design. In addition to serving as a powerful tool for analyzing complex systems, the proposed method will pave the way for applying maximum likelihood methods to more complex diffusion phenomena.

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从单个短粒子轨迹检测扩散各向异性
在微尺度成像技术取得进步的同时,生物学和材料科学领域也将重点放在根据颗粒的扩散行为精确提取颗粒特性上。尽管现实世界中的大多数粒子都表现出各向异性,但对其行为的研究却少于对各向同性粒子的研究。在本研究中,我们介绍了一种基于最大似然框架、利用短轨迹数据估算单个各向异性粒子扩散系数的方法。传统的估算技术通常使用均方位移(MSD)值或其他统计量,这些统计量本质上会去除角度信息。取而代之的是,我们将角度视为一个潜在变量,并使用信念传播来估计它,同时使用期望最大化算法来最大化似然。与传统方法相比,这种方法能更好地估算出更短的轨迹和更快的旋转,这一点已通过数值模拟以及涉及细菌和量子棒的实验数据得到证实。此外,我们还对各向异性的可探测极限进行了分析研究,并为实验设计提供了指导。除了作为分析复杂系统的有力工具外,所提出的方法还将为把最大似然法应用于更复杂的扩散现象铺平道路。
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