GenAI4UQ:一个使用条件生成人工智能进行正向和反向不确定性量化的软件

IF 2.4 4区 计算机科学 Q2 COMPUTER SCIENCE, SOFTWARE ENGINEERING
Ming Fan , Zezhong Zhang , Dan Lu , Guannan Zhang
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引用次数: 0

摘要

本文介绍了GenAI4UQ,一个用于模型校准、参数估计和集合预测的正、逆不确定性量化软件包。GenAI4UQ利用基于生成人工智能的条件建模框架来解决传统逆建模技术的局限性,如马尔可夫链蒙特卡罗(MCMC)方法。通过用直接的学习映射取代计算密集型的迭代过程,GenAI4UQ能够有效地校准输入参数并直接从观测中生成预测。该软件支持快速集合预测与鲁棒的不确定性量化,同时保持计算和存储效率。内置的超参数自动调优简化了模型训练,确保具有不同专业知识的用户的可访问性。它的通用条件生成框架适用于不同的科学领域。虽然GenAI4UQ在灵活性和效率方面提供了显著的优势,但在数据稀疏的情况下,用户应该谨慎地解释其不确定性估计,因为该模型可能会高估不确定性——这是所有基于代理的方法(包括带有代理模型的MCMC)的共同影响。尽管如此,GenAI4UQ通过提供快速、可靠和用户友好的解决方案来转换逆向建模。它使研究人员和实践者能够快速估计参数分布,并为新的观测结果生成模型预测,促进有效的决策,并推进计算建模中的不确定性量化状态。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
GenAI4UQ: A software for forward and inverse uncertainty quantification using conditional generative AI
We introduce GenAI4UQ, a software package for forward and inverse uncertainty quantification in model calibration, parameter estimation, and ensemble forecasting. GenAI4UQ leverages a generative AI-based conditional modeling framework to address limitations of traditional inverse modeling techniques, such as Markov Chain Monte Carlo (MCMC) methods. By replacing computationally intensive iterative processes with a direct, learned mapping, GenAI4UQ enables efficient calibration of input parameters and generation of predictions directly from observations. The software supports rapid ensemble forecasting with robust uncertainty quantification while maintaining computational and storage efficiency. Built-in auto-tuning of hyperparameters simplifies model training, ensuring accessibility for users with varying expertise. Its versatile conditional generative framework is applicable across diverse scientific domains. While GenAI4UQ offers significant advantages in flexibility and efficiency, users should interpret its uncertainty estimates with caution in data-sparse scenarios, as the model may overestimate uncertainty—an effect common to all surrogate-based approaches including MCMC with surrogate models. Despite this, GenAI4UQ transforms inverse modeling by providing a fast, reliable, and user-friendly solution. It empowers researchers and practitioners to quickly estimate parameter distributions and generate model predictions for new observations, facilitating efficient decision-making and advancing the state of uncertainty quantification in computational modeling.
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来源期刊
SoftwareX
SoftwareX COMPUTER SCIENCE, SOFTWARE ENGINEERING-
CiteScore
5.50
自引率
2.90%
发文量
184
审稿时长
9 weeks
期刊介绍: SoftwareX aims to acknowledge the impact of software on today''s research practice, and on new scientific discoveries in almost all research domains. SoftwareX also aims to stress the importance of the software developers who are, in part, responsible for this impact. To this end, SoftwareX aims to support publication of research software in such a way that: The software is given a stamp of scientific relevance, and provided with a peer-reviewed recognition of scientific impact; The software developers are given the credits they deserve; The software is citable, allowing traditional metrics of scientific excellence to apply; The academic career paths of software developers are supported rather than hindered; The software is publicly available for inspection, validation, and re-use. Above all, SoftwareX aims to inform researchers about software applications, tools and libraries with a (proven) potential to impact the process of scientific discovery in various domains. The journal is multidisciplinary and accepts submissions from within and across subject domains such as those represented within the broad thematic areas below: Mathematical and Physical Sciences; Environmental Sciences; Medical and Biological Sciences; Humanities, Arts and Social Sciences. Originating from these broad thematic areas, the journal also welcomes submissions of software that works in cross cutting thematic areas, such as citizen science, cybersecurity, digital economy, energy, global resource stewardship, health and wellbeing, etcetera. SoftwareX specifically aims to accept submissions representing domain-independent software that may impact more than one research domain.
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