arXiv:2503.11339cs.LGcs.AI2025-03被引 6

用单模型估算集成不确定性,提速降耗且效果不输多模型。

Contextual Similarity Distillation: Ensemble Uncertainties with a Single Model

  • 将集成方差计算转为基于核相似度的监督回归任务。
  • 单次前向传播即可获得预测方差,支持无标签数据优化。
  • 适用于分布外检测与稀疏奖励强化学习,可替代多模型集成。

不确定性量化在强化学习和深度学习中至关重要,应用涵盖高效探索、稳定离线强化学习及医学诊断中的异常检测。然而,现代神经网络规模庞大,使得许多理论完善的方案(如完整贝叶斯推断)难以应用。近似方法如深度集成虽能提供可靠不确定性估计,但仍计算成本高昂。本文提出上下文相似性蒸馏,一种新方法:仅用一个模型即可显式估算无限集成的预测方差,无需实际训练或评估任何集成。该方法基于宽网络的可预测学习动态(由神经正切核控制),推导出对无限集成预测方差的高效近似。具体地,将集成方差计算重释为以核相似度为目标的监督回归问题。所得模型可在推理时通过一次前向传播估计预测方差,并利用目标域无标签数据或数据增强来改进不确定性估计。我们在多种分布外检测基准和稀疏奖励强化学习环境中进行了实证验证。结果表明,该单模型方法性能与集成基线相当甚至更优,且能作为高效探索的可靠信号。我们认为,上下文相似性蒸馏为强化学习与通用深度学习中的不确定性量化提供了一种原理性强且可扩展的替代方案。

原文摘要 · Abstract (English)

Uncertainty quantification is a critical aspect of reinforcement learning and deep learning, with numerous applications ranging from efficient exploration and stable offline reinforcement learning to outlier detection in medical diagnostics. The scale of modern neural networks, however, complicates the use of many theoretically well-motivated approaches such as full Bayesian inference. Approximate methods like deep ensembles can provide reliable uncertainty estimates but still remain computationally expensive. In this work, we propose contextual similarity distillation, a novel approach that explicitly estimates the variance of an ensemble of deep neural networks with a single model, without ever learning or evaluating such an ensemble in the first place. Our method builds on the predictable learning dynamics of wide neural networks, governed by the neural tangent kernel, to derive an efficient approximation of the predictive variance of an infinite ensemble. Specifically, we reinterpret the computation of ensemble variance as a supervised regression problem with kernel similarities as regression targets. The resulting model can estimate predictive variance at inference time with a single forward pass, and can make use of unlabeled target-domain data or data augmentations to refine its uncertainty estimates. We empirically validate our method across a variety of out-of-distribution detection benchmarks and sparse-reward reinforcement learning environments. We find that our single-model method performs competitively and sometimes superior to ensemble-based baselines and serves as a reliable signal for efficient exploration. These results, we believe, position contextual similarity distillation as a principled and scalable alternative for uncertainty quantification in reinforcement learning and general deep learning.

不确定性量化深度学习强化学习模型蒸馏

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