Learning to Bound for Maximum Common Subgraph Algorithms

Abstract

Identifying the maximum common subgraph between two graphs is a computationally challenging NP-hard problem. While the McSplit algorithm represents a state-of-the-art approach within a branch-and-bound (BnB) framework, several extensions have been proposed to enhance its vertex pair selection strategy, often utilizing reinforcement learning techniques. Nonetheless, the quality of the upper bound remains a critical factor in accelerating the search process by effectively pruning unpromising branches. This research introduces a novel, more restrictive upper bound derived from a detailed analysis of the McSplit algorithm's generated partitions. To enhance the effectiveness of this bound, we propose a reinforcement learning approach that strategically directs computational effort towards the most promising regions within the search space.