arXiv:2605.12208stat.MLcs.AI2026-05中稿 · publication in TML…被引 1

用自监督方法直接估算模型预测不确定性,更准且更快。

Self-Supervised Laplace Approximation for Bayesian Uncertainty Quantification

论文配图:Self-Supervised Laplace Approximation for Bayesian Uncertainty Quantification
图 1 · 摘自论文原文
  • 通过自预测数据重拟合来逼近后验预测分布
  • 在多种回归任务中预测校准性优于经典拉普拉斯近似
  • 无需采样、可灵活替换先验,适合需要高效不确定性估计的场景

近似贝叶斯推断通常聚焦于参数后验分布,但实际关注的往往是模型预测。本文提出绕过参数后验,直接近似后验预测分布:借鉴自监督学习中的自训练思想,通过在自预测数据上重拟合来量化预测不确定性。若模型对自预测数据赋予高似然,则预测不确定性低,反之亦然。该方法得到一种确定性、无需采样的后验预测近似。提出的自监督拉普拉斯近似(SSLA)结构模块化,支持不同先验设置,便于进行经典的贝叶斯敏感性分析。为避免昂贵的重拟合,进一步提出近似版本ASSLA。在从贝叶斯线性模型到贝叶斯神经网络的各类回归任务中,包括模拟与真实数据集,(A)SSLA在预测校准性上均优于经典拉普拉斯近似,同时保持计算高效。

原文摘要 · Abstract (English)

Approximate Bayesian inference typically revolves around computing the posterior parameter distribution. In practice, however, the main object of interest is often a model's predictions rather than its parameters. In this work, we propose to bypass the parameter posterior and focus directly on approximating the posterior predictive distribution. We achieve this by drawing inspiration from self-training within self-supervised and semi-supervised learning. Essentially, we quantify a Bayesian model's predictive uncertainty by refitting on self-predicted data. The idea is strikingly simple: If a model assigns high likelihood to self-predicted data, these predictions are of low uncertainty, and vice versa. This yields a deterministic, sampling-free approximation of the posterior predictive. The modular structure of our Self-Supervised Laplace Approximation (SSLA) further allows us to plug in different prior specifications, enabling classical Bayesian sensitivity (w.r.t. prior choice) analysis. In order to bypass expensive refitting, we further introduce an approximate version of SSLA, called ASSLA. We study (A)SSLA both theoretically and empirically in regression models ranging from Bayesian linear models to Bayesian neural networks. Across a wide array of regression tasks with simulated and real-world datasets, our methods outperform classical Laplace approximations in predictive calibration while remaining computationally efficient.

不确定性量化自监督贝叶斯推断拉普拉斯近似

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