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Viktor Martinek

Publications and source records attributed to Viktor Martinek.

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Symbolic Regression for Shared Expressions: Introducing Partial Parameter Sharing

Symbolic regression aims to find symbolic expressions that describe datasets. Due to its inherent interpretability, symbolic regression (SR) is a powerful paradigm for scientific discovery. Recent advances have expanded SR to describe related phenomena using a single expression with varying sets of parameters, thereby introducing a single categorical variable. To illustrate, this enables the search for a single expression describing temperaturedependent viscosity across multiple fluids, while simultaneously identifying a distinct set of fluid-specific parameters. We expand upon prior efforts by considering multiple categorical variables and introducing intermediate levels of parameter sharing. Rather than parameters being either entirely universal or entirely unique, some parameters can also be shared across specific categories while remaining distinct for others. This allows for separating universal effects (shared parameters), category-specific trends (partially-shared parameters), and category interactions (non-shared parameters). We test the limits of this setup in terms of reducing data requirements and transfer learning using a synthetic, fitting-only example. Furthermore, we apply the method to an astrophysics dataset also used in a previous single-category study. In comparison, we achieve similar fit quality with significantly fewer parameters while extracting additional information about the problem.

cs.LG

Fast Symbolic Regression Benchmarking

Symbolic regression (SR) uncovers mathematical models from data. Several benchmarks have been proposed to compare the performance of SR algorithms. However, existing ground-truth rediscovery benchmarks overemphasize the recovery of "the one" expression form or rely solely on computer algebra systems (such as SymPy) to assess success. Furthermore, existing benchmarks continue the expression search even after its discovery. We improve upon these issues by introducing curated lists of acceptable expressions, and a callback mechanism for early termination. As a starting point, we use the symbolic regression for scientific discovery (SRSD) benchmark problems proposed by Yoshitomo et al., and benchmark the two SR packages SymbolicRegression.jl and TiSR. The new benchmarking method increases the rediscovery rate of SymbolicRegression.jl from 26.7%, as reported by Yoshitomo et at., to 44.7%. Performing the benchmark takes 41.2% less computational expense. TiSR's rediscovery rate is 69.4%, while performing the benchmark saves 63% time.

cs.LG

Shape Constraints in Symbolic Regression using Penalized Least Squares

We study the addition of shape constraints (SC) and their consideration during the parameter identification step of symbolic regression (SR). SC serve as a means to introduce prior knowledge about the shape of the otherwise unknown model function into SR. Unlike previous works that have explored SC in SR, we propose minimizing SC violations during parameter identification using gradient-based numerical optimization. We test three algorithm variants to evaluate their performance in identifying three symbolic expressions from synthetically generated data sets. This paper examines two benchmark scenarios: one with varying noise levels and another with reduced amounts of training data. The results indicate that incorporating SC into the expression search is particularly beneficial when data is scarce. Compared to using SC only in the selection process, our approach of minimizing violations during parameter identification shows a statistically significant benefit in some of our test cases, without being significantly worse in any instance.

cs.LG

Unit-Aware Genetic Programming for the Development of Empirical Equations

When developing empirical equations, domain experts require these to be accurate and adhere to physical laws. Often, constants with unknown units need to be discovered alongside the equations. Traditional unit-aware genetic programming (GP) approaches cannot be used when unknown constants with undetermined units are included. This paper presents a method for dimensional analysis that propagates unknown units as ''jokers'' and returns the magnitude of unit violations. We propose three methods, namely evolutive culling, a repair mechanism, and a multi-objective approach, to integrate the dimensional analysis in the GP algorithm. Experiments on datasets with ground truth demonstrate comparable performance of evolutive culling and the multi-objective approach to a baseline without dimensional analysis. Extensive analysis of the results on datasets without ground truth reveals that the unit-aware algorithms make only low sacrifices in accuracy, while producing unit-adherent solutions. Overall, we presented a promising novel approach for developing unit-adherent empirical equations.

cs.LG

Introducing Thermodynamics-Informed Symbolic Regression -- A Tool for Thermodynamic Equations of State Development

Thermodynamic equations of state (EOS) are essential for many industries as well as in academia. Even leaving aside the expensive and extensive measurement campaigns required for the data acquisition, the development of EOS is an intensely time-consuming process, which does often still heavily rely on expert knowledge and iterative fine-tuning. To improve upon and accelerate the EOS development process, we introduce thermodynamics-informed symbolic regression (TiSR), a symbolic regression (SR) tool aimed at thermodynamic EOS modeling. TiSR is already a capable SR tool, which was used in the research of https://doi.org/10.1007/s10765-023-03197-z. It aims to combine an SR base with the extensions required to work with often strongly scattered experimental data, different residual pre- and post-processing options, and additional features required to consider thermodynamic EOS development. Although TiSR is not ready for end users yet, this paper is intended to report on its current state, showcase the progress, and discuss (distant and not so distant) future directions. TiSR is available at https://github.com/scoop-group/TiSR and can be cited as https://doi.org/10.5281/zenodo.8317547.

cs.LG