Purity Law for Neural Routing Problem Solvers with Enhanced Generalizability

Haoran Li (University of the Chinese Academy of Sciences University of Illinois Urbana-Champaign) · Zicheng Zhang (Shanghai Jiaotong University) · Anqi Li (Shanghai Jiaotong University) · Wenzhao Liu (University of the Chinese Academy of Sciences) · Congying Han (University of Chinese Academy of Sciences) · Tiande Guo
computational overheadedge prevalencegeneralizationgeneralization performanceglobal optimalocal sparsityneural approachesoptimal solutionspurity lawpurity policy optimizationrobust principlesrouting problemssolution constructiontraining paradigmuniversal patterns

Achieving generalization in neural approaches across different scales and distributions remains a significant challenge for routing problems. A key obstacle is that neural networks often fail to learn robust principles for identifying universal patterns and deriving optimal solutions from diverse instances. In this paper, we first uncover Purity Law, a fundamental structural principle for optimal solutions of routing problems, defining that edge prevalence grows exponentially with the sparsity of surrounding vertices. Statistically and theoretically validated across diverse instances, Purity Law reveals a consistent bias toward local sparsity in global optima. Building on this insight, we propose Purity Policy Optimization (PUPO), a novel training paradigm that explicitly aligns characteristics of neural solutions with Purity Law during the solution construction process to enhance generalization. Extensive experiments demonstrate that PUPO can be seamlessly integrated with popular neural solvers, significantly enhancing their generalization performance without incurring additional computational overhead during inference.