arXiv:2603.10452stat.MLcs.LG2026-03被引 1

将单调回归拓展到多输出,利用最优传输理论提升概率校准效果

Brenier Isotonic Regression

  • 基于最优传输中的循环单调性设计新回归方法
  • 在概率校准任务中显著优于多个经典基线模型
  • 适合需要保证输出单调性的多变量建模场景

等单调回归(IR)是一种形状约束回归方法,用于保持一元拟合曲线非递减,在单指数模型和概率校准中有广泛应用。传统IR难以推广至多输出场景,因单调性不易直接扩展。本文提出一种新型多输出回归问题:回归函数具有循环单调性,即为某凸势能函数的梯度。我们利用Kantorovich最优传输(OT)解天然具备循环单调性这一特性,将回归函数与凸势能分别对应广义线性模型中的链接函数和Brenier势能,从而构建出新的回归框架——Brenier等单调回归。实验验证了其在概率校准与广义线性模型中的有效性,结果表明该方法在概率校准任务中稳健优于多个知名基线模型。

原文摘要 · Abstract (English)

Isotonic regression (IR) is shape-constrained regression to maintain a univariate fitting curve non-decreasing, which has numerous applications including single-index models and probability calibration. When it comes to multi-output regression, the classical IR is no longer applicable because the monotonicity is not readily extendable. We consider a novel multi-output regression problem where a regression function is \emph{cyclically monotone}. Roughly speaking, a cyclically monotone function is the gradient of some convex potential. Whereas enforcing cyclic monotonicity is apparently challenging, we leverage the fact that Kantorovich's optimal transport (OT) always yields a cyclically monotone coupling as an optimal solution. This perspective naturally allows us to interpret a regression function and the convex potential as a link function in generalized linear models and Brenier's potential in OT, respectively, and hence we call this IR extension \emph{Brenier isotonic regression}. We demonstrate experiments with probability calibration and generalized linear models. In particular, IR outperforms many famous baselines in probability calibration robustly.

回归分析最优传输概率校准

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