{"title":"基线薄弱和报告偏差导致对流体相关偏微分方程的机器学习过于乐观","authors":"Nick McGreivy, Ammar Hakim","doi":"10.1038/s42256-024-00897-5","DOIUrl":null,"url":null,"abstract":"One of the most promising applications of machine learning in computational physics is to accelerate the solution of partial differential equations (PDEs). The key objective of machine-learning-based PDE solvers is to output a sufficiently accurate solution faster than standard numerical methods, which are used as a baseline comparison. We first perform a systematic review of the ML-for-PDE-solving literature. Out of all of the articles that report using ML to solve a fluid-related PDE and claim to outperform a standard numerical method, we determine that 79% (60/76) make a comparison with a weak baseline. Second, we find evidence that reporting biases are widespread, especially outcome reporting and publication biases. We conclude that ML-for-PDE-solving research is overoptimistic: weak baselines lead to overly positive results, while reporting biases lead to under-reporting of negative results. To a large extent, these issues seem to be caused by factors similar to those of past reproducibility crises: researcher degrees of freedom and a bias towards positive results. We call for bottom-up cultural changes to minimize biased reporting as well as top-down structural reforms to reduce perverse incentives for doing so. A systematic review of machine learning approaches to solve partial differential equations related to fluid dynamics highlights concerns about reproducibility and indicates that studies in this area have reached overly optimistic conclusions.","PeriodicalId":48533,"journal":{"name":"Nature Machine Intelligence","volume":"6 10","pages":"1256-1269"},"PeriodicalIF":18.8000,"publicationDate":"2024-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Weak baselines and reporting biases lead to overoptimism in machine learning for fluid-related partial differential equations\",\"authors\":\"Nick McGreivy, Ammar Hakim\",\"doi\":\"10.1038/s42256-024-00897-5\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"One of the most promising applications of machine learning in computational physics is to accelerate the solution of partial differential equations (PDEs). The key objective of machine-learning-based PDE solvers is to output a sufficiently accurate solution faster than standard numerical methods, which are used as a baseline comparison. We first perform a systematic review of the ML-for-PDE-solving literature. Out of all of the articles that report using ML to solve a fluid-related PDE and claim to outperform a standard numerical method, we determine that 79% (60/76) make a comparison with a weak baseline. Second, we find evidence that reporting biases are widespread, especially outcome reporting and publication biases. We conclude that ML-for-PDE-solving research is overoptimistic: weak baselines lead to overly positive results, while reporting biases lead to under-reporting of negative results. To a large extent, these issues seem to be caused by factors similar to those of past reproducibility crises: researcher degrees of freedom and a bias towards positive results. We call for bottom-up cultural changes to minimize biased reporting as well as top-down structural reforms to reduce perverse incentives for doing so. A systematic review of machine learning approaches to solve partial differential equations related to fluid dynamics highlights concerns about reproducibility and indicates that studies in this area have reached overly optimistic conclusions.\",\"PeriodicalId\":48533,\"journal\":{\"name\":\"Nature Machine Intelligence\",\"volume\":\"6 10\",\"pages\":\"1256-1269\"},\"PeriodicalIF\":18.8000,\"publicationDate\":\"2024-09-25\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Nature Machine Intelligence\",\"FirstCategoryId\":\"94\",\"ListUrlMain\":\"https://www.nature.com/articles/s42256-024-00897-5\",\"RegionNum\":1,\"RegionCategory\":\"计算机科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Nature Machine Intelligence","FirstCategoryId":"94","ListUrlMain":"https://www.nature.com/articles/s42256-024-00897-5","RegionNum":1,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE","Score":null,"Total":0}
引用次数: 0
摘要
机器学习在计算物理领域最有前途的应用之一是加速偏微分方程(PDE)的求解。基于机器学习的偏微分方程求解器的主要目标是比作为比较基准的标准数值方法更快地输出足够精确的解。我们首先对 ML-for-PDE 求解文献进行了系统回顾。在所有报道使用 ML 解决流体相关 PDE 并声称优于标准数值方法的文章中,我们发现 79% 的文章(60/76)与弱基线进行了比较。其次,我们发现有证据表明报告偏差是普遍存在的,尤其是结果报告和发表偏差。我们的结论是,ML-PDE 仿真研究过于乐观:弱基线导致结果过于乐观,而报告偏差导致负面结果报告不足。在很大程度上,这些问题似乎是由与过去的可重复性危机类似的因素造成的:研究人员的自由度和对积极结果的偏爱。我们呼吁进行自下而上的文化变革,以尽量减少有偏见的报告,同时进行自上而下的结构改革,以减少这样做的不正当激励。
Weak baselines and reporting biases lead to overoptimism in machine learning for fluid-related partial differential equations
One of the most promising applications of machine learning in computational physics is to accelerate the solution of partial differential equations (PDEs). The key objective of machine-learning-based PDE solvers is to output a sufficiently accurate solution faster than standard numerical methods, which are used as a baseline comparison. We first perform a systematic review of the ML-for-PDE-solving literature. Out of all of the articles that report using ML to solve a fluid-related PDE and claim to outperform a standard numerical method, we determine that 79% (60/76) make a comparison with a weak baseline. Second, we find evidence that reporting biases are widespread, especially outcome reporting and publication biases. We conclude that ML-for-PDE-solving research is overoptimistic: weak baselines lead to overly positive results, while reporting biases lead to under-reporting of negative results. To a large extent, these issues seem to be caused by factors similar to those of past reproducibility crises: researcher degrees of freedom and a bias towards positive results. We call for bottom-up cultural changes to minimize biased reporting as well as top-down structural reforms to reduce perverse incentives for doing so. A systematic review of machine learning approaches to solve partial differential equations related to fluid dynamics highlights concerns about reproducibility and indicates that studies in this area have reached overly optimistic conclusions.
期刊介绍:
Nature Machine Intelligence is a distinguished publication that presents original research and reviews on various topics in machine learning, robotics, and AI. Our focus extends beyond these fields, exploring their profound impact on other scientific disciplines, as well as societal and industrial aspects. We recognize limitless possibilities wherein machine intelligence can augment human capabilities and knowledge in domains like scientific exploration, healthcare, medical diagnostics, and the creation of safe and sustainable cities, transportation, and agriculture. Simultaneously, we acknowledge the emergence of ethical, social, and legal concerns due to the rapid pace of advancements.
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