arXiv:2606.09276cs.LG2026-06

构建新基准ERBench,评估方程发现算法在不同条件下的鲁棒性。

ERBench: A Benchmark and Testsuite for Equation Discovery Algorithms

  • 设计多维度测试框架,涵盖不同维度、采样量、分布和域变化
  • 聚焦方程恢复能力,更贴近真实科学建模需求
  • 适合关注模型泛化与数据鲁棒性的研究人员

方程发现旨在从数据中自动识别科学模型的数学表达式,通常通过符号回归算法实现。现有评估主要关注测试数据上的预测精度和已知真值公式的恢复能力。标准回归常采用域内测试数据划分,但对真正的模型发现和泛化而言可能产生误导。相比之下,域外测试更具挑战性且难以获取。因此,本文聚焦于方程恢复来评估符号回归算法。现有基准虽包含方程恢复任务,但公开的真值公式数量有限,且缺乏对算法在维度、采样量、分布和采样域变化下表现的系统评估。而这些因素对自然现象建模至关重要,因实际数据往往存在噪声并来自多样化场景。为此,本文提出方程恢复基准(ERBench),一个专为评估方程发现算法而设计的新框架,强调在多种复杂条件下算法的鲁棒性。

原文摘要 · Abstract (English)

Equation discovery aims to automate the discovery of scientific models in the form of mathematical equations from data. Technically, equation discovery is implemented by symbolic regression algorithms. Performance of symbolic regression for equation discovery is measured along two dimensions: Prediction accuracy on test data, and recovery of known groundtruth formulas. For standard regression, accuracy is typically measured on in-domain test data, for instance, by splitting a data set randomly into training and test data. While this makes sense for in-domain interpolation, which is the common goal in ordinary regression, it can be a misleading proxy for true model discovery and generalization. The obvious alternative is to measure out-of-domain accuracy. However, obtaining challenging out-of-domain test data is a non-trivial problem. Therefore, we focus on equation recovery for evaluating symbolic regression algorithms for equation discovery. The rationale is that symbolic regression algorithms that perform well in recovering known groundtruth formulas are good candidates to perform well in unknown equation discovery. Existing benchmarks for symbolic regression include equation recovery tasks, however, with only a small number of groundtruth formulas that are publicly known. Moreover, these benchmarks place less emphasis on evaluating the robustness of algorithms in terms of their behavior under changing dimensionality, sampling size, sampling distribution and sampling domain. This, however, is of central importance to practitioners wanting to discover equations for modeling natural phenomena, since data is almost certainly noisy and comes from diverse domains, distributions, and sample sizes. To fill this gap, we introduce the Equation Recovery Benchmark (ERBench), a new evaluation framework designed to rigorously assess algorithms explicitly targeting the task of equation discovery.

方程发现符号回归基准测试

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