多边缘Gromov-Wasserstein输运和质心

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2023-09-18 DOI:10.1093/imaiai/iaad041
Florian Beier, Robert Beinert, Gabriele Steidl
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引用次数: 0

摘要

Gromov-Wasserstein (GW)距离是Gromov-Hausdorff和Wasserstein距离的组合,它允许两个不同度量度量空间(mm-spaces)的比较。由于它们在测量和距离保持变换下的不变性,它们非常适合在图和形状分析中的许多应用。本文引入了一组mm-空间间多边际GW输运的概念及其正则化和不平衡版本。作为一种特殊情况,我们讨论了多边缘融合变体,它将mm空间的结构信息与附加标签空间的标签信息相结合。为了在数值上处理新公式,我们考虑了多边际GW问题的双凸松弛,当成本函数为条件负定时,该问题在平衡情况下是紧的。松弛模型可以通过交替最小化来求解,其中每一步都可以用多边缘Sinkhorn格式来执行。我们展示了我们的多边际GW问题与(不平衡,融合)GW重心的关系,并给出了各种数值结果,表明了该概念的潜力。
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Multi-marginal Gromov–Wasserstein transport and barycentres
Abstract Gromov–Wasserstein (GW) distances are combinations of Gromov–Hausdorff and Wasserstein distances that allow the comparison of two different metric measure spaces (mm-spaces). Due to their invariance under measure- and distance-preserving transformations, they are well suited for many applications in graph and shape analysis. In this paper, we introduce the concept of multi-marginal GW transport between a set of mm-spaces as well as its regularized and unbalanced versions. As a special case, we discuss multi-marginal fused variants, which combine the structure information of an mm-space with label information from an additional label space. To tackle the new formulations numerically, we consider the bi-convex relaxation of the multi-marginal GW problem, which is tight in the balanced case if the cost function is conditionally negative definite. The relaxed model can be solved by an alternating minimization, where each step can be performed by a multi-marginal Sinkhorn scheme. We show relations of our multi-marginal GW problem to (unbalanced, fused) GW barycentres and present various numerical results, which indicate the potential of the concept.
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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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