Exhaustive Canonical Skeletons Generation: A Formal Dataset for Decomposable Symbolic Regression
Organizations: Aston Centre for Artificial Intelligence Research and Application, Aston University, Birmingham, UK
Abstract
Neural symbolic regression (SR) models require diverse datasets of mathematical expressions for robust training. However, existing datasets rely predominantly on stochastic sampling methods, which suffer from high structural redundancy and incomplete functional coverage. To address this, we introduce an exhaustive dataset of univariate canonical skeletons generated via a deterministic constrained context-free grammar. A canonical skeleton acts as a generic structural representation that subsumes more specific functional forms, eliminating redundant expressions and avoiding repeated computational efforts. Although our dataset consists of univariate skeletons, it is designed to support the decomposable SR paradigm to solve multivariate SR problems without assuming linear separability. Furthermore, we pair this dataset with a sampling strategy that generates clean numerical data without triggering numerical instabilities or relying on artificial protected operators. Canonicalizing two existing neural SR datasets reveals that our dataset is substantially more compact, eliminates structural repetitions, and achieves a uniform operator distribution free of simplicity bias. Finally, we establish a benchmark of 150 SR problems across three tiers, on which state-of-the-art SR methods are shown to struggle significantly.
Figures & tables
| Metric | ExCaUS | SeTGAP | NeSymRes |
| Total Expressions | 71,027 | 1,650,000 | 10,000,000 |
| Unique Skeletons | 71,027 | 664 | 128,514 |
| Duplication Rate (%) | 0.00 | 99.96 | 98.71 |
| Dictionary Size (Unique Ops) | 16 | 12 | 11 |
| Mean Unary Nesting Depth | 1.58 | 1.29 | 1.12 |
| Max Unary Nesting Depth | 2 | 3 | 6 |
Appendix figures & tables22 assets
Supplementary material from the paper’s appendix.
Appendix
| ID | Skeleton | Equation |
| E1 | ||
| E2 | ||
| E3 | ||
| E4 | ||
| E5 | ||
| E6 |
| ID | Skeleton | Equation |
| M1 | ||
| M2 | ||
| M3 | ||
| M4 | ||
| M5 | ||
| M6 |
| ID | Skeleton | Equation |
| H1 | ||
| H2 | ||
| H3 | ||
| H4 | ||
| H5 | ||
| H6 |
| Method | Hyperparameter | Values |
| AIFeynman | Polynomial fitting degree | 2, 3, 4, 5 |
| Neural network training epochs | 500, 1000, 2000 | |
| BSR | Number of trees | 2, 4, 8 |
| Number of iterations | 50, 100, 200, 500 | |
| Regularization parameter | -0.1, -1, -2, -5 | |
| DSR | Number of samples | 100,000, 500,000, 1,000,000 |
| Method | Hyperparameter | Easy | Medium | Hard |
| AIFeynman | Polynomial fitting degree | 3 | 2 | 3 |
| Neural network training epochs | 2000 | 2000 | 1000 | |
| BSR | Number of trees | 2 | 2 | 2 |
| Number of iterations | 50 | 200 | 100 | |
| Regularization parameter | -0.1 | -0.1 | -2 | |
| DSR | Number of samples | 1000000 | 1000000 | 100000 |
| ID | Set | AIFeynman | BSR | DSR | E2E | GPGOMEA | Gplearn | ITEA | NeSymReS | Operon | PySR | TaylorGP | TPSR | UDSR |
| E1 | Int. | 1.72 0 | 0.846 0 | 0.089 0 | 3.4e-5 0 | 2.2e-7 1.9e-7 | 0.317 0.374 | 1.6e-8 7.6e-9 | 0.831 9.8e-3 | 8.0e-4 9.4e-4 | 1.1e-12 2.8e-12 | 0.846 0 | 0.846 0 | 0.089 0 |
| Ext. | 2.07 0 | 2.38 0 | 0.604 0 | 2.0e-5 0 | 7.3e-7 7.5e-7 | 1.25 0.814 | 5.6e-7 1.1e-6 | 2.71 0.024 | 3.0e-3 4.3e-3 | 0 1.5e-12 | 2.38 0 | 2.38 0 | 0.604 0 | |
| E2 | Int. | 1.36 0 | 0.223 0 | 0.115 0 | 3.3e-4 0 | 0.022 0.067 | 0.164 0.060 | 1.8e-10 7.5e-11 | 0.207 0.016 | 6.8e-5 5.1e-5 | 3.5e-5 1.3e-5 | 0.092 0 | 0.223 0 | 0.115 0 |
| Ext. | 5.88 0 | 8.00 0 | 5.93 0 | 0.087 0 | 12.94 36.21 | 7.96 0.881 | 2.7e-5 1.5e-6 | 8.31 0.318 | 0.824 2.31 | 0.090 0.065 | 6.41 0 | 8.00 0 | 5.93 0 | |
| E3 | Int. | 1.09 0 | 0.216 0 | 0.020 0 | 3.3e-3 2.3e-4 | 9.9e-4 1.1e-3 | 0.164 0.090 | 2.6e-5 5.7e-6 | 0.214 5.9e-4 | 2.3e-3 1.4e-3 | 0.022 0.065 | 0.021 0 | 0.216 0 | 0.020 0 |
| Ext. | 8.28 0 | 8.06 0 | 4.44 0 | 1.69 0.171 | 1.1e4 1.8e4 | 8.06 0 | 0.020 7.7e-3 | 8.08 8.5e-3 | 4.6e6 1.2e7 | 3.3e4 9.1e4 | 4.42 0 | 8.06 0 | 4.44 0 |
| ID | Set | AIFeynman | BSR | DSR | E2E | GPGOMEA | Gplearn | ITEA | NeSymReS | Operon | PySR | TaylorGP | TPSR | UDSR |
| M1 | Int. | 1.02 0 | 177.3 325.1 | 0.381 0 | 0.181 0.076 | 0.355 0.240 | — | 1.18 0.329 | 1.07 1.4e-3 | 0.382 0.131 | 0.268 0.087 | — | 1.07 0 | 0.381 0 |
| Ext. | 0.351 0 | 380.6 770.2 | 0.321 0 | 0.428 0.265 | 0.317 0.012 | 0.395 0.075 | 360.8 1025.7 | 0.365 0.042 | 0.370 0.044 | 0.286 0.094 | — | 0.351 0 | 0.321 0 | |
| M2 | Int. | 9.2e-4 0 | 0.916 0.119 | 0.148 0 | 8.8e-4 1.4e-4 | 7.7e-4 2.8e-4 | 0.281 0.355 | 4.1e-4 2.2e-5 | 1.11 0.404 | 8.2e-4 1.1e-4 | 2.7e-4 8.8e-5 | — | 0.161 0 | 0.148 0 |
| Ext. | 3.7e-5 0 | 1.96 0.572 | 0.588 0 | 6.7e-4 4.7e-4 | 2.5e-5 2.3e-5 | 1.03 1.15 | 1.3e-4 1.7e-4 | 2.72 0.171 | 2.8e-5 2.1e-5 | 3.0e-5 1.1e-5 | — | 0.254 0 | 0.588 0 | |
| M3 | Int. | 1.15 0 | 2.1e4 4.7e4 | 0.101 0 | 0.024 0.025 | 0.037 0.035 | 0.079 7.2e-5 | 7.4e-5 1.9e-5 | 1.11 1.7e-3 | 0.094 0.070 | 5.0e-4 2.1e-4 | 1.11 0 | 0.923 0 | 0.101 0 |
| Ext. | 0.024 0 | 16.77 33.93 | 3.9e-3 0 | 3.4e-3 7.7e-3 | 7.6e-3 5.2e-3 | 2.9e-3 2.7e-4 | 4.9e-4 1.4e-4 | 0.013 6.4e-4 | 0.013 7.7e-3 | 5.3e-3 1.1e-3 | 0.013 0 | 1.8e-3 0 | 3.9e-3 0 |
| ID | Set | AIFeynman | BSR | DSR | E2E | GPGOMEA | Gplearn | ITEA | NeSymReS | Operon | PySR | TaylorGP | TPSR | UDSR |
| H1 | Int. | 1.63 0 | 80.60 183.1 | 0.308 0 | 0.089 0.024 | 0.024 0.029 | 0.147 0.060 | 0.064 1.5e-3 | 0.897 0.016 | 0.065 0.025 | 0.100 0.270 | — | 0.910 0 | 0.308 0 |
| Ext. | 4.14 0 | 15.47 27.12 | 2.45 0 | 1.13 0.576 | 0.924 0.081 | 1.28 0.808 | 24.42 19.54 | 2.13 0.120 | 0.934 0.032 | 0.981 0.284 | — | 1.81 0 | 2.45 0 | |
| H2 | Int. | 2.02 0 | 1.3e4 2.9e4 | 0.217 0 | 0.171 0.215 | 0.014 0.015 | 0.254 0.181 | 5.1e-3 1.1e-4 | 0.448 2.9e-3 | 0.016 9.2e-3 | 0.056 0.147 | 0.389 0 | 1.85 0 | 0.217 0 |
| Ext. | 6.44 0 | 1.3e5 2.8e5 | 2.86 0 | 1.83 2.41 | 0.235 0.246 | 5.31 1.47 | 23.70 42.29 | 6.55 0.040 | 1.06 2.68 | 0.841 1.57 | 5.86 0 | 18.42 0 | 2.86 0 | |
| H3 | Int. | 0.451 0 | 9.0e+12 2.2e+13 | 0.505 0 | 0.771 0.304 | 0.104 0.025 | 0.599 0.333 | 0.045 5.6e-3 | 1.06 7.5e-4 | 0.206 0.053 | 0.094 9.8e-3 | — | 1.06 0 | 0.505 0 |
| Ext. | 0.015 0 | 4.2e+15 1.0e+16 | 0.644 0 | 0.456 0.090 | 0.022 0.020 | 0.298 0.111 | 29.23 46.72 | 0.547 0.016 | 0.056 0.075 | 0.017 0.012 | — | 0.441 0 | 0.644 0 |
| ID | Set | AIFeynman | BSR | DSR | E2E | GPGOMEA | Gplearn | ITEA | NeSymReS | Operon | PySR | TaylorGP | TPSR | UDSR |
| E1 | Int. | -1.07 0 | -0.021 0 | 0.892 0 | 1.000 0 | 1.000 2.3e-7 | 0.617 0.451 | 1.000 9.2e-9 | -2.4e-3 0.012 | 0.999 1.1e-3 | 1.000 3.4e-12 | -0.021 0 | -0.021 0 | 0.892 0 |
| Ext. | -1.09 0 | -1.41 0 | 0.388 0 | 1.000 0 | 1.000 7.6e-7 | -0.263 0.825 | 1.000 1.1e-6 | -1.74 0.024 | 0.997 4.4e-3 | 1.000 1.5e-12 | -1.41 0 | -1.41 0 | 0.388 0 | |
| E2 | Int. | -6.15 0 | -0.173 0 | 0.396 0 | 0.998 0 | 0.883 0.352 | 0.134 0.316 | 1.000 3.9e-10 | -0.088 0.085 | 1.000 2.7e-4 | 1.000 6.6e-5 | 0.518 0 | -0.173 0 | 0.396 0 |
| Ext. | -0.100 0 | -0.496 0 | -0.109 0 | 0.984 0 | -1.42 6.78 | -0.490 0.165 | 1.000 2.9e-7 | -0.556 0.059 | 0.846 0.433 | 0.983 0.012 | -0.200 0 | -0.496 0 | -0.109 0 | |
| E3 | Int. | -4.09 0 | -6.2e-3 0 | 0.905 0 | 0.985 1.1e-3 | 0.995 5.3e-3 | 0.237 0.421 | 1.000 2.7e-5 | -4.2e-4 2.7e-3 | 0.989 6.7e-3 | 0.897 0.301 | 0.903 0 | -6.2e-3 0 | 0.905 0 |
| Ext. | -0.041 0 | -0.014 0 | 0.442 0 | 0.787 0.021 | -1442.9 2247.9 | -0.014 0 | 0.997 9.7e-4 | -0.016 1.1e-3 | -5.8e5 1.5e6 | -4093.2 1.1e4 | 0.444 0 | -0.014 0 | 0.442 0 |
| ID | Set | AIFeynman | BSR | DSR | E2E | GPGOMEA | Gplearn | ITEA | NeSymReS | Operon | PySR | TaylorGP | TPSR | UDSR |
| M1 | Int. | 0.048 0 | -164.4 303.3 | 0.645 0 | 0.831 0.071 | 0.669 0.224 | — | -0.103 0.307 | -1.4e-3 1.3e-3 | 0.644 0.123 | 0.750 0.081 | — | -2.6e-4 0 | 0.645 0 |
| Ext. | -0.070 0 | -1159.8 2349.3 | 0.022 0 | -0.307 0.809 | 0.035 0.037 | -0.206 0.230 | -1099.6 3128.8 | -0.114 0.128 | -0.128 0.135 | 0.128 0.287 | — | -0.070 0 | 0.022 0 | |
| M2 | Int. | 0.999 0 | -0.084 0.141 | 0.824 0 | 0.999 1.7e-4 | 0.999 3.3e-4 | 0.667 0.420 | 1.000 2.6e-5 | -0.312 0.478 | 0.999 1.3e-4 | 1.000 1.0e-4 | — | 0.809 0 | 0.824 0 |
| Ext. | 1.000 0 | -4.23 1.53 | -0.572 0 | 0.998 1.3e-3 | 1.000 6.2e-5 | -1.76 3.07 | 1.000 4.6e-4 | -6.28 0.457 | 1.000 5.6e-5 | 1.000 3.0e-5 | — | 0.320 0 | -0.572 0 | |
| M3 | Int. | -0.032 0 | -1.9e4 4.3e4 | 0.909 0 | 0.978 0.023 | 0.967 0.032 | 0.929 6.5e-5 | 1.000 1.7e-5 | -4.8e-4 1.5e-3 | 0.915 0.063 | 1.000 1.9e-4 | -3.8e-5 0 | 0.168 0 | 0.909 0 |
| Ext. | -1.65 0 | -1833.9 3711.7 | 0.577 0 | 0.630 0.841 | 0.172 0.565 | 0.686 0.029 | 0.946 0.015 | -0.424 0.070 | -0.395 0.845 | 0.418 0.121 | -0.378 0 | 0.805 0 | 0.577 0 |
| ID | Set | AIFeynman | BSR | DSR | E2E | GPGOMEA | Gplearn | ITEA | NeSymReS | Operon | PySR | TaylorGP | TPSR | UDSR |
| H1 | Int. | -0.821 0 | -89.03 204.6 | 0.656 0 | 0.900 0.027 | 0.973 0.032 | 0.836 0.067 | 0.929 1.7e-3 | -2.0e-3 0.018 | 0.927 0.028 | 0.889 0.302 | — | -0.016 0 | 0.656 0 |
| Ext. | -5.45 0 | -23.13 42.29 | -2.82 0 | -0.762 0.897 | -0.442 0.126 | -1.00 1.26 | -37.08 30.47 | -2.32 0.188 | -0.456 0.049 | -0.530 0.443 | — | -1.83 0 | -2.82 0 | |
| H2 | Int. | -3.55 0 | -3.0e4 6.6e4 | 0.511 0 | 0.616 0.483 | 0.969 0.034 | 0.428 0.407 | 0.988 2.5e-4 | -8.0e-3 6.5e-3 | 0.965 0.021 | 0.873 0.332 | 0.126 0 | -3.17 0 | 0.511 0 |
| Ext. | -4.77 0 | -1.1e5 2.5e5 | -1.56 0 | -0.638 2.16 | 0.789 0.221 | -3.76 1.32 | -20.24 37.90 | -4.87 0.035 | 0.054 2.40 | 0.246 1.41 | -4.25 0 | -15.51 0 | -1.56 0 | |
| H3 | Int. | 0.574 0 | -8.5e+12 2.1e+13 | 0.522 0 | 0.270 0.287 | 0.902 0.024 | 0.433 0.315 | 0.957 5.3e-3 | -9.3e-4 7.1e-4 | 0.805 0.050 | 0.911 9.3e-3 | — | -5.1e-3 0 | 0.522 0 |
| Ext. | -1.13 0 | -5.8e+17 1.4e+18 | -88.33 0 | -62.28 12.43 | -1.98 2.74 | -40.39 15.41 | -4054.1 6482.3 | -74.88 2.25 | -6.83 10.42 | -1.34 1.73 | — | -60.24 0 | -88.33 0 |
Symbolic Regression
Symbolic regression searches data for compact mathematical expressions that balance predictive accuracy with interpretability.
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