用物理启发方法实现更稳健的稀疏变量选择
Variational Garrote for Statistical Physics-based Sparse and Robust Variable Selection
- 基于统计物理设计可微分的变分贪心法,支持高效优化
- 在高稀疏场景下表现优于LASSO和岭回归,选择更稳定
- 发现变量冗余时性能突降现象,可用于判断真实相关变量数
从高维数据中选择关键变量在大数据时代愈发重要。稀疏回归通过促进模型简洁性与可解释性成为有力工具。本文重新审视一种有价值但未被充分使用的统计物理方法——变分贪心(VG),其引入显式特征选择自旋变量,并利用变分推断导出可处理的损失函数。我们通过融入现代自动微分技术增强VG,实现了可扩展且高效的优化。在可控合成数据集与复杂真实数据集上的评估表明,VG在高度稀疏情形下表现尤为出色,在不同稀疏度下均比岭回归和LASSO提供更一致、更鲁棒的变量选择。我们还发现:当引入冗余变量时,泛化性能会突然下降,且选择变量的不确定性显著上升。这一相变点为估计正确相关变量数量提供了实用信号,我们已成功将其应用于真实数据以识别关键预测因子。预计VG在压缩感知及机器学习模型剪枝等众多领域具有广泛应用潜力。
原文摘要 · Abstract (English)
Selecting key variables from high-dimensional data is increasingly important in the era of big data. Sparse regression serves as a powerful tool for this purpose by promoting model simplicity and explainability. In this work, we revisit a valuable yet underutilized method, the statistical physics-based Variational Garrote (VG), which introduces explicit feature selection spin variables and leverages variational inference to derive a tractable loss function. We enhance VG by incorporating modern automatic differentiation techniques, enabling scalable and efficient optimization. We evaluate VG on both fully controllable synthetic datasets and complex real-world datasets. Our results demonstrate that VG performs especially well in highly sparse regimes, offering more consistent and robust variable selection than Ridge and LASSO regression across varying levels of sparsity. We also uncover a sharp transition: as superfluous variables are admitted, generalization degrades abruptly and the uncertainty of the selection variables increases. This transition point provides a practical signal for estimating the correct number of relevant variables, an insight we successfully apply to identify key predictors in real-world data. We expect that VG offers strong potential for sparse modeling across a wide range of applications, including compressed sensing and model pruning in machine learning.
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