arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 2408.04718cs.LGstat.ML
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使用扩散概率模型的零样本不确定性量化

Zero-Shot Uncertainty Quantification using Diffusion Probabilistic Models

Carnegie Mellon University(卡内基梅隆大学)

Dule Shu, Amir Barati Farimani

AI总结:

本文研究扩散回归模型的集成预测能否实现零样本不确定性量化,通过一维和二维实验表明集成可稳定提升精度,并揭示预测误差与方差的统计相关性。

摘要:

扩散概率模型在文本到图像生成等生成任务中的成功,促使人们探索将其应用于科学计算和其他众多领域中常见的回归问题。在此背景下,使用扩散回归模型进行集成预测正成为一种日益流行的做法。基于这一背景,我们开展了一项研究,以定量评估集成方法在使用扩散模型解决不同回归问题时的有效性。我们将扩散模型的集成预测视为一种零样本不确定性量化手段,因为本研究中的扩散模型在训练时并未采用包含任何不确定性估计的损失函数。通过在一维和二维数据上的大量实验,我们证明集成方法在各类回归任务中都能持续提升模型预测精度。值得注意的是,我们观察到,与逐点预测相比,自回归预测中的精度提升更大,而且均方误差和物理信息损失两方面都出现了改善。此外,我们揭示了集成预测误差与集成方差之间的统计相关性,为在真实值未知的实际应用中平衡计算复杂度与预测精度、以及监测预测置信度提供了见解。本研究全面呈现了扩散集成的效用,可为在回归问题求解中使用扩散模型的从业者提供有益参考。

英文摘要:

The success of diffusion probabilistic models in generative tasks, such as text-to-image generation, has motivated the exploration of their application to regression problems commonly encountered in scientific computing and various other domains. In this context, the use of diffusion regression models for ensemble prediction is becoming a practice with increasing popularity. Under such background, we conducted a study to quantitatively evaluate the effectiveness of ensemble methods on solving different regression problems using diffusion models. We consider the ensemble prediction of a diffusion model as a means for zero-shot uncertainty quantification, since the diffusion models in our study are not trained with a loss function containing any uncertainty estimation. Through extensive experiments on 1D and 2D data, we demonstrate that ensemble methods consistently improve model prediction accuracy across various regression tasks. Notably, we observed a larger accuracy gain in auto-regressive prediction compared with point-wise prediction, and that enhancements take place in both the mean-square error and the physics-informed loss. Additionally, we reveal a statistical correlation between ensemble prediction error and ensemble variance, offering insights into balancing computational complexity with prediction accuracy and monitoring prediction confidence in practical applications where the ground truth is unknown. Our study provides a comprehensive view of the utility of diffusion ensembles, serving as a useful reference for practitioners employing diffusion models in regression problem-solving.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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