首个面向三维曲面符号发现的几何感知基准,挑战多变量结构推理。
SURFACEBENCH: A Geometry-Aware Benchmark for Symbolic Surface Discovery
- 构建183个科学启发的三维曲面数据集,涵盖显式、隐式、参数三种形式。
- 引入几何距离评估,突破传统代数等价性局限,更真实反映结构相似性。
- 揭示当前大模型在参数校准和多公式推理上存在明显短板,适合科研人员评估新方法。
从数据中发现方程是科学领域机器学习的核心挑战,需要恢复描述复杂物理与几何现象的简洁符号表达式。尽管大语言模型(LLM)在符号回归方面展现潜力,但现有基准主要评估低维标量函数,依赖字符串级或回归指标,无法捕捉结构与几何等价性。我们提出SURFACEBENCH,首个面向三维曲面符号发现的几何感知基准。不同于标量曲线拟合任务,SURFACEBENCH聚焦表面级推理,需从数据中直接推断多变量耦合、坐标变换及几何结构。该基准包含183个解析构造的、科学启发的曲面方程,覆盖15类,分属显式、隐式、参数三种表示形式。每项任务配备变量语义与合成采样的3D数据,旨在测试符号组合、结构歧义与表示非唯一性,同时减少记忆化风险。为评估发现质量,基准引入符号等价检查,并结合对象空间几何度量(Chamfer距离、Hausdorff距离)与回归误差,实现超越代数语法的功能保真度评估。对进化算法、神经网络与基于LLM框架的实证评估显示,目前无一方法在各类表示间表现一致,其中基于LLM的方法虽具强结构先验,但在参数校准与多公式推理上鲁棒性不足。代码与数据见:github.com/deep-symbolic-mathematics/surfacebench。
原文摘要 · Abstract (English)
Equation discovery from data is a central challenge in machine learning for science, which requires the recovery of concise symbolic expressions that govern complex physical and geometric phenomena. Recent large language model (LLM) approaches have shown promise in symbolic regression, yet existing benchmarks predominantly evaluate low-dimensional scalar functions and rely on string-level or regression-based metrics that fail to capture structural and geometric equivalence. We introduce SURFACEBENCH, the first geometry-aware benchmark for symbolic discovery of three-dimensional surfaces. Unlike scalar curve-fitting tasks, SURFACEBENCH targets surface-level reasoning, where multi-variable coupling, coordinate transformations, and geometric structure must be inferred directly from data. The benchmark comprises 183 analytically constructed, science-inspired surface equations across 15 categories and three representation paradigms: explicit, implicit, and parametric forms. Each task includes variable semantics and synthetically sampled 3D data, and is designed to stress symbolic composition, structural ambiguity, and representational non-uniqueness while mitigating memorization. To evaluate discovery quality, SURFACEBENCH incorporates symbolic equivalence checks with geometric metrics of the object-space (Chamfer and Hausdorff distances) and regression-based error measures, allowing evaluation of functional fidelity beyond algebraic syntax. Empirical evaluation across evolutionary, neural, and LLM-driven frameworks reveals that no current method achieves consistent performance across representation types, with LLM-based approaches exhibiting strong structural priors but limited robustness in parameter calibration and multi-equation reasoning.The code and data are available at this link: github.com/deep-symbolic-mathematics/surfacebench.
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