arXiv:2508.05493math.OCcs.LG2025-08被引 1

提出精确与启发式算法解决带约束的双聚类问题。

Exact and Heuristic Algorithms for Constrained Biclustering

  • 基于低维半定规划松弛设计分支切割算法
  • 在真实与合成数据上均优于通用求解器
  • 适合需要高精度双聚类的科研与工业场景

双聚类(biclustering)同时划分数据矩阵的行和列,以发现具有一致模式的子矩阵。将背景知识融入聚类可提升解的质量与可解释性,研究兴趣日益增长。本文聚焦于带成对约束(必须共属/不可共属)的双聚类问题,以k个不相交的稠密完全二分图(称为双团)的最大总密度为目标,在加权完全二分图中求解。提出精确与启发式算法:精确方法基于低维半定规划(SDP)松弛,结合有效不等式,采用割平面法求解;通过整数规划工具的舍入方案在每个节点生成可行双聚类解。针对大规模实例,提出基于SDP低秩分解的高效启发式算法,利用增广拉格朗日法求解非线性优化问题,子问题通过块坐标投影梯度算法分解求解。大量实验表明,精确方法显著优于通用求解器,启发式算法在大规模实例上高效获得高质量解。

原文摘要 · Abstract (English)

Biclustering, also known as co-clustering or two-way clustering, simultaneously partitions the rows and columns of a data matrix to reveal submatrices with coherent patterns. Incorporating background knowledge into clustering to enhance solution quality and interpretability has attracted growing interest in mathematical optimization and machine learning research. Extending this paradigm to biclustering enables prior information to guide the joint grouping of rows and columns. We study constrained biclustering with pairwise constraints, namely must-link and cannot-link constraints, which specify whether objects should belong to the same or different biclusters. As a model problem, we address the constrained version of the k-densest disjoint biclique problem, which aims to identify k disjoint complete bipartite subgraphs (called bicliques) in a weighted complete bipartite graph, maximizing the total density while satisfying pairwise constraints. We propose both exact and heuristic algorithms. The exact approach is a tailored branch-and-cut algorithm based on a low-dimensional semidefinite programming (SDP) relaxation, strengthened with valid inequalities and solved in a cutting-plane fashion. Exploiting integer programming tools, a rounding scheme converts SDP solutions into feasible biclusterings at each node. For large-scale instances, we introduce an efficient heuristic based on the low-rank factorization of the SDP. The resulting nonlinear optimization problem is tackled with an augmented Lagrangian method, where the subproblem is solved by decomposition through a block-coordinate projected gradient algorithm. Extensive experiments on synthetic and real-world datasets show that the exact method significantly outperforms general-purpose solvers, while the heuristic achieves high-quality solutions efficiently on large instances.

双聚类优化算法半定规划约束学习

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