用几何距离优化聚类,让模型更懂数据形状结构。
Gromov-Wasserstein Quantization and Clustering: Structure, Rates, and Algorithms

- 提出基于格罗莫夫-沃瑟斯坦距离的量化聚类方法,能同时学习数据点与空间结构。
- 证明解的存在性并给出逼近算法,理论误差率与经典方法相当。
- 适用于3D形状分析、神经网络剪枝等新场景,数值效果接近理论最优。
聚类是数据分析的核心方法,其中以k-means为代表的中心点方法与量化问题密切相关,例如k-means对应于关于Wasserstein距离的量化。传统的Wasserstein量化仅在固定空间中聚类点,而本文研究了额外考虑空间几何结构的Gromov-Wasserstein(GW)量化问题。我们证明了该问题解的存在性,并给出可解释其性质的刻画,从而为数值近似提供依据——类似于k-means中的Lloyd算法。进一步计算了欧几里得空间下常见的GW量化速率,并将其与标准Wasserstein量化速率相联系。数值实验表明,GW量化拓展了建模可能性,可用于3D形状的测地距离聚类或神经网络的结构化剪枝,所提出的算法能获得高质量解,逼近精度通常达到理论最优水平。
原文摘要 · Abstract (English)
Clustering is a fundamental class of data analysis techniques with the most important representatives being centroid-based methods like $k$-means. Such methods are strongly connected to quantization problems, which aim to approximate general probability measures with discrete ones. For example, $k$-means corresponds to quantization with respect to the Wasserstein distance. While Wasserstein quantization clusters points within a fixed space, this paper studies Gromov-Wasserstein (GW) quantization, which additionally aims at clustering the ambient geometry of the space. We show existence of solutions to the GW quantization problem and give a characterization that justifies an analogue to the $k$-means algorithm (Lloyd's algorithm) to approximate them numerically. We further calculate the quantization rate for usual Euclidean geometries that are used in the GW context, and relate it to standard Wasserstein quantization rates. Finally, numerical experiments show that GW quantization opens up many modeling possibilities beyond normal clustering methods (e.g., for geodesic distances of 3D shapes or structured pruning of neural networks) and that the introduced algorithm leads to useful numerical solutions with approximation quality often in line with theoretically optimal rates.
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