Clément Soubrier, Geoffrey Woollard, Andrew Warren +1math.OC cs.LG
Efficiently and robustly analyzing shape data is critical across many scientific disciplines. While chirality is a fundamental property in numerous applications - most notably in molecular science - existing shape analysis metrics fail to distinguish between a shape and its mirror image. To address this gap, we introduce a multilinear generalization of the Gromov-Wasserstein objective. Under mild assumptions, this objective yields a distance between shapes, represented as probability distributions quotiented by a symmetry group $G$. In particular, for $G = SO(d)$, we introduce the Chiral Gromov-Wasserstein ($\mathrm{CGW}$) distance, sensitive to chirality. We establish robustness properties for the multilinear Gromov-Wasserstein distances and develop efficient algorithms to compute them, reformulating the underlying optimization problem by projecting couplings onto a low-dimensional space. We derive algorithms for both local and approximate global solutions, yielding a fully polynomial-time approximation scheme for these problems. We validate the framework through numerical experiments that demonstrate the effectiveness of $\mathrm{CGW}$ as a shape metric for chiral objects.
Eddy Soria, Aida Valls, Ana Beatriz Hernández-Laracs.LG cs.AI math.GM
Decision-making in complex systems often involves dealing with imprecise or uncertain information, frequently represented using fuzzy sets, particularly Triangular Fuzzy Numbers (TFNs). A crucial aspect of many fuzzy methods is the quantification of distance between TFNs. Many distance measures assume that all values are in the same scale, requiring a preliminary normalization stage when applied to heterogeneous attributes with different scales or units. This paper proposes the Triangular Fuzzy Rescaling Distance (d_{TR}), a metric designed to address this challenge. The d_{TR} uniquely integrates Linear Rescaling (LRE) directly into the distance calculation, ensuring normalization during the comparison of fuzzy numbers. We formally prove that d_{TR} satisfies the properties of a metric, including non-negativity, identity, symmetry, and the triangle inequality. Furthermore, we demonstrate that d_{TR} is bounded, scale-invariant, and origin-invariant. These properties, combined with a weighting vector for prioritizing dimensions, make d_{TR} suitable for applications involving heterogeneous fuzzy data, such as the construction of synthetic indicators, distance-based machine learning algorithms or multicriteria-decision aiding.