Fused Partial Gromov-Wasserstein for Structured Objects

Bai, Yikun, Tran, Huy, Du, Hengrong, Liu, Xinran, Kolouri, Soheil

arXiv.org Artificial Intelligence 

Structured data, such as graphs, are vital in machine learning due to their capacity to capture complex relationships and interactions. In recent years, the Fused Gromov-Wasserstein (FGW) distance has attracted growing interest because it enables the comparison of structured data by jointly accounting for feature similarity and geometric structure. However, as a variant of optimal transport (OT), classical FGW assumes an equal mass constraint on the compared data. In this work, we relax this mass constraint and propose the Fused Partial Gromov-Wasserstein (FPGW) framework, which extends FGW to accommodate unbalanced data. Theoretically, we establish the relationship between FPGW and FGW and prove the metric properties of FPGW. Numerically, we introduce Frank-Wolfe solvers for the proposed FPGW framework and provide a convergence analysis. Finally, we evaluate the FPGW distance through graph classification and clustering experiments, demonstrating its robust performance, especially when data is corrupted by outlier noise.