Analysis of Memory-Runtime Trade-offs in Caching Strategies for Genetic Programming Symbolic Regression

GP-GOMEA is a state-of-the-art evolutionary algorithm for symbolic regression, known for discovering small and interpretable models. However, its computational cost remains substantial, limiting its applicability to larger datasets and more complex target expressions. In contrast, the rise of modern subsymbolic approaches, particularly deep learning, has been driven largely by the massive parallelism offered by GPUs. In this work, we take the first major step toward a fully GPU-accelerated GP-GOMEA by introducing a GPU-based fitness evaluation scheme. We design a GPU-friendly representation of GP-GOMEA's template-based individuals and a corresponding evaluation strategy that exploits the inherent parallelism of population-based search. This substantially increases evaluation throughput, enabling orders of magnitude more evaluations within the same time budget. Across four standard symbolic regression benchmarks, this increased evaluation capacity yields performance improvements, particularly for larger datasets and larger population sizes. Moreover, the ability to efficiently evaluate much larger datasets and more complex templates enables analyses that were previously infeasible, allowing us to systematically analyze what makes expressions increasingly difficult for GP-GOMEA, providing new insights into how expression structure affects search difficulty. Finally, for the first time, this expanded capability allows a problem-agnostic evolutionary algorithm to reliably regress one of the largest Feynman equations within four hours.

Constant optimization refines the numerical coefficients of candidate expressions in tree-based genetic programming for symbolic regression. But its per-generation cost has led modern GPU-accelerated frameworks to omit it or restrict it to lightweight forms. We present a GPU-resident, batched Levenberg--Marquardt solver that optimizes constants across a structurally heterogeneous population of expression trees using a fixed number of population-wide CUDA launches per iteration. Reverse-mode automatic differentiation assembles the per-tree Jacobian in one backward sweep, making the dominant per-iteration cost independent of the number of constants per tree, and a double-precision delivery guard guarantees that returned constants are never worse than their initial values. On early-generation populations, the solver sustains up to $5.1{\times}10^{5}$ trees per second on an NVIDIA A100; at a GPU-saturated benchmark configuration it delivers roughly $9.9{\times}$ the throughput of Operon running on a 64-core EPYC 7763, while matching fp64-reference quality. Integrated in-process into EvoGP, the solver enables end-to-end search to recover governing equations on $10$ of $18$ constructed problems versus 0 for stock EvoGP. Our code is at https://github.com/TensorConv/CuSR.

We analyze the effect of optimizing the initial population of genetic programming (GP) for symbolic regression (SR) on the accuracy and complexity of solutions. We compare three well-established random initialization methods as well as initialization with small optimized solutions from exhaustive symbolic regression (ESR) using a GP/SR implementation which is based on the multi-objective evolutionary algorithm NSGA-II. We compare the final Pareto fronts found with each initialization method on twelve synthetic problems of varying complexity and one real-world dataset. We find no significant differences in accuracy or model complexity among the initialization methods. The initial advantage of initialization with ESR disappears after only a few generations. Our results show that, given similar diversity in the initial population, the effect of the initialization method in GP-based symbolic regression on the final Pareto front is negligible.