用GNN融合监督与无监督方法,提升最大独立集求解精度。
Assessing and Enhancing Graph Neural Networks for Combinatorial Optimization: Novel Approaches and Application in Maximum Independent Set Problems
- 无监督QUBO+监督学习,先生成节点概率初值
- 结合贪心解码后,解的质量显著优于单一方法
- 适合需要快速高质量解的组合优化场景
组合优化(CO)问题因计算时间随输入规模指数增长而极具挑战。图神经网络(GNN)在求解此类问题上展现出潜力。本研究聚焦最大独立集(MIS)问题,复现了Schuetz等人提出的无监督QUBO方法,并探索其与有监督学习结合的可行性。尽管该无监督方法无法保证最优解,但能提供良好的初始估计,适合作为贪心解码或树搜索等后处理技术的起点。进一步发现,有监督方法通过学习每个节点的初始特征概率,可有效提升整体性能;将学习到的概率输入至无监督QUBO框架后,显著改善解的质量。结果表明,利用真实标签训练并结合优化函数学习图结构信息,是提升非自回归预测准确率的可行路径,标志着在不依赖传统启发式函数的前提下,改进求解器性能的重要进展。
原文摘要 · Abstract (English)
Combinatorial optimization (CO) problems are challenging as the computation time grows exponentially with the input. Graph Neural Networks (GNNs) show promise for researchers in solving CO problems. This study investigates the effectiveness of GNNs in solving the maximum independent set (MIS) problem, inspired by the intriguing findings of Schuetz et al., and aimed to enhance this solver. Despite the promise shown by GNNs, some researchers observed discrepancies when reproducing the findings, particularly compared to the greedy algorithm, for instance. We reproduced Schuetz' Quadratic Unconstrained Binary Optimization (QUBO) unsupervised approach and explored the possibility of combining it with a supervised learning approach for solving MIS problems. While the QUBO unsupervised approach did not guarantee maximal or optimal solutions, it provided a solid first guess for post-processing techniques like greedy decoding or tree-based methods. Moreover, our findings indicated that the supervised approach could further refine the QUBO unsupervised solver, as the learned model assigned meaningful probabilities for each node as initial node features, which could then be improved with the QUBO unsupervised approach. Thus, GNNs offer a valuable method for solving CO problems by integrating learned graph structures rather than relying solely on traditional heuristic functions. This research highlights the potential of GNNs to boost solver performance by leveraging ground truth during training and using optimization functions to learn structural graph information, marking a pioneering step towards improving prediction accuracy in a non-autoregressive manner.
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