arXiv:2510.23901cs.LGcs.AI2025-10被引 1

提出RS-ORT算法,高效训练最优回归树,支持连续特征且可处理百万级数据。

RS-ORT: A Reduced-Space Branch-and-Bound Algorithm for Optimal Regression Trees

  • 通过仅在树结构变量上分支的分枝定界法,避免依赖样本数量。
  • 在含200万样本的连续特征数据上,4小时内完成训练并保证全局最优。
  • 适合需要可解释性与高精度的回归任务,尤其适用于大规模数据场景。

混合整数规划(MIP)已成为学习最优决策树的强大框架。然而,现有针对回归任务的MIP方法要么仅限于纯二值特征,要么在涉及连续、大规模数据时变得计算不可行。直接对连续特征进行离散化会牺牲全局最优性,并导致树结构过深。本文将最优回归树训练重构为两阶段优化问题,提出一种专用的分枝定界(BB)算法——减少空间最优回归树(RS-ORT),其分支仅作用于树结构变量。该设计确保算法收敛且与训练样本数量无关。结合模型结构特性,引入闭式叶节点预测、经验阈值离散化和精确深度1子树解析等紧约束技术,配合可分解的上下界策略,显著加速训练过程。分枝定界节点的分解支持并行执行,进一步缓解了百万级数据下的计算瓶颈。在包含二值与连续特征的多个回归基准测试中,RS-ORT均优于现有最先进方法。特别地,在含200万样本的连续特征数据集上,四小时内即可获得保证的训练性能,树结构更简洁,泛化能力更强。

原文摘要 · Abstract (English)

Mixed-integer programming (MIP) has emerged as a powerful framework for learning optimal decision trees. Yet, existing MIP approaches for regression tasks are either limited to purely binary features or become computationally intractable when continuous, large-scale data are involved. Naively binarizing continuous features sacrifices global optimality and often yields needlessly deep trees. We recast the optimal regression-tree training as a two-stage optimization problem and propose Reduced-Space Optimal Regression Trees (RS-ORT) - a specialized branch-and-bound (BB) algorithm that branches exclusively on tree-structural variables. This design guarantees the algorithm's convergence and its independence from the number of training samples. Leveraging the model's structure, we introduce several bound tightening techniques - closed-form leaf prediction, empirical threshold discretization, and exact depth-1 subtree parsing - that combine with decomposable upper and lower bounding strategies to accelerate the training. The BB node-wise decomposition enables trivial parallel execution, further alleviating the computational intractability even for million-size datasets. Based on the empirical studies on several regression benchmarks containing both binary and continuous features, RS-ORT also delivers superior training and testing performance than state-of-the-art methods. Notably, on datasets with up to 2,000,000 samples with continuous features, RS-ORT can obtain guaranteed training performance with a simpler tree structure and a better generalization ability in four hours.

回归树分枝定界最优决策树大规模数据

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