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SRBench++:基于领域专家解释的符号回归原则性基准测试。

SRBench++ : principled benchmarking of symbolic regression with domain-expert interpretation.

作者信息

de Franca F O, Virgolin M, Kommenda M, Majumder M S, Cranmer M, Espada G, Ingelse L, Fonseca A, Landajuela M, Petersen B, Glatt R, Mundhenk N, Lee C S, Hochhalter J D, Randall D L, Kamienny P, Zhang H, Dick G, Simon A, Burlacu B, Kasak Jaan, Machado Meera, Wilstrup Casper, La Cava W G

机构信息

Center for Mathematics, Computation and Cognition (CMCC), Heuristics, Analysis and Learning Laboratory (HAL), Federal University of ABC, Santo Andre, Brazil.

Evolutionary Intelligence group, Centrum Wiskunde & Informatica, Science Park 123, Amsterdam, Netherlands.

出版信息

IEEE Trans Evol Comput. 2025 Aug;29(4):1127-1134. doi: 10.1109/tevc.2024.3423681. Epub 2024 Jul 4.

DOI:10.1109/tevc.2024.3423681
PMID:40761553
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12321164/
Abstract

Symbolic regression searches for analytic expressions that accurately describe studied phenomena. The main promise of this approach is that it may return an interpretable model that can be insightful to users, while maintaining high accuracy. The current standard for benchmarking these algorithms is SRBench, which evaluates methods on hundreds of datasets that are a mix of real-world and simulated processes spanning multiple domains. At present, the ability of SRBench to evaluate interpretability is limited to measuring the size of expressions on real-world data, and the exactness of model forms on synthetic data. In practice, model size is only one of many factors used by subject experts to determine how interpretable a model truly is. Furthermore, SRBench does not characterize algorithm performance on specific, challenging sub-tasks of regression such as feature selection and evasion of local minima. In this work, we propose and evaluate an approach to benchmarking SR algorithms that addresses these limitations of SRBench by 1) incorporating expert evaluations of interpretability on a domain-specific task, and 2) evaluating algorithms over distinct properties of data science tasks. We evaluate 12 modern symbolic regression algorithms on these benchmarks and present an in-depth analysis of the results, discuss current challenges of symbolic regression algorithms and highlight possible improvements for the benchmark itself.

摘要

符号回归旨在寻找能够准确描述所研究现象的解析表达式。这种方法的主要优势在于,它可能会返回一个对用户具有启发性的可解释模型,同时保持较高的准确性。目前用于对这些算法进行基准测试的标准是SRBench,它在数百个数据集上评估各种方法,这些数据集涵盖了多个领域的真实世界和模拟过程。目前,SRBench评估可解释性的能力仅限于测量真实世界数据上表达式的大小,以及合成数据上模型形式的准确性。在实践中,模型大小只是领域专家用来确定模型真正可解释程度的众多因素之一。此外,SRBench并未描述算法在回归的特定挑战性子任务(如特征选择和避免局部最小值)上的性能。在这项工作中,我们提出并评估了一种对符号回归算法进行基准测试的方法,该方法通过1)纳入针对特定领域任务的可解释性专家评估,以及2)针对数据科学任务的不同属性评估算法,来解决SRBench的这些局限性。我们在这些基准上评估了12种现代符号回归算法,并对结果进行了深入分析,讨论了符号回归算法当前面临的挑战,并强调了基准本身可能的改进之处。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6130/12321164/8dcebfd60bcd/nihms-2053059-f0010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6130/12321164/025cc07e1417/nihms-2053059-f0001.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6130/12321164/4261def05ebe/nihms-2053059-f0009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6130/12321164/8dcebfd60bcd/nihms-2053059-f0010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6130/12321164/025cc07e1417/nihms-2053059-f0001.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6130/12321164/c8c7dbacf65c/nihms-2053059-f0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6130/12321164/ca4150554799/nihms-2053059-f0005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6130/12321164/baa4fc3dd552/nihms-2053059-f0006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6130/12321164/f22aaff0d4db/nihms-2053059-f0007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6130/12321164/54a8d8356bad/nihms-2053059-f0008.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6130/12321164/8dcebfd60bcd/nihms-2053059-f0010.jpg

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本文引用的文献

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Contemporary Symbolic Regression Methods and their Relative Performance.当代符号回归方法及其相对性能。
Adv Neural Inf Process Syst. 2021 Dec;2021(DB1):1-16.
2
A flexible symbolic regression method for constructing interpretable clinical prediction models.一种用于构建可解释临床预测模型的灵活符号回归方法。
NPJ Digit Med. 2023 Jun 5;6(1):107. doi: 10.1038/s41746-023-00833-8.
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Stop Explaining Black Box Machine Learning Models for High Stakes Decisions and Use Interpretable Models Instead.停止为高风险决策解释黑箱机器学习模型,转而使用可解释模型。
Nat Mach Intell. 2019 May;1(5):206-215. doi: 10.1038/s42256-019-0048-x. Epub 2019 May 13.
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PMLB v1.0: an open-source dataset collection for benchmarking machine learning methods.PMLB v1.0:用于基准测试机器学习方法的开源数据集集合。
Bioinformatics. 2022 Jan 12;38(3):878-880. doi: 10.1093/bioinformatics/btab727.
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PMLB: a large benchmark suite for machine learning evaluation and comparison.PMLB:一个用于机器学习评估和比较的大型基准测试套件。
BioData Min. 2017 Dec 11;10:36. doi: 10.1186/s13040-017-0154-4. eCollection 2017.