用2×2序数模式实现液晶相的可解释分类
Interpretable liquid crystal phase classification via two-by-two ordinal patterns
- 将液晶图像转为75维序数模式频率向量,按对称性分11类
- 分类准确率接近完美,能区分难辨的SmA与SmB相
- 模式可解释性强,适合材料科学中的结构分析
液晶纹理蕴含丰富结构信息,但视觉相似的图案可能来自不同结构,导致相位识别困难。本文提出一种简单可解释的表示方法:将纹理映射为75维频率向量,基于2×2序数模式,分为11种对称类型,覆盖七种液晶相的大规模数据集。结合轻量级机器学习分类器,该方法实现近乎完美的相位识别,尤其擅长区分易混淆的Smectic A与Smectic B相。模型对未见化合物具有泛化能力,可准确区分相态与材料来源。相比深度学习,每个序数模式均可直接解读,结合网络可视化揭示驱动决策的关键模式及其相互依赖关系,提供简洁且物理意义明确的纹理决定因素总结。结果表明,2×2序数模式是液晶图像分析中可解释且可扩展的工具,适用于其他复杂图案系统。
原文摘要 · Abstract (English)
Liquid crystal textures encode rich structural information, yet mapping these images to mesophase identity remains challenging because visually similar patterns can arise from distinct structures. Here we present a simple, interpretable representation that maps textures to a 75-dimensional frequency vector of two-by-two ordinal patterns, grouped into eleven symmetry-based types to characterize a large-scale dataset spanning seven mesophases. Combined with a simple machine learning classifier, this lightweight representation yields near-perfect phase recognition, including the difficult distinction between smectic A and smectic B mesophases. Our approach generalizes to unseen compounds and accurately distinguishes between phase identity and material origin. Unlike deep learning methods, each ordinal pattern is readily interpretable, and model explanations augmented with network visualizations of pattern interactions reveal the specific types and pairwise dependencies that drive each mesophase decision, providing compact, physically meaningful summaries of texture determinants. These results establish two-by-two ordinal patterns as an interpretable and scalable tool for liquid crystal image analysis, with potential applications to other complex patterned systems in materials science.
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