Analysis shows that many generated operators use semantics to guide selection, suggesting that LLMs can produce non-trivial search heuristics from the task description alone, and the relationship between public LLM leaderboard rankings and GP performance is examined.
Abstract
Parent selection significantly affects exploration, exploitation, and complexity control in genetic programming (GP) for symbolic regression. It is unclear whether large language models (LLMs) can synthesize effective operators in a zero-shot setting without iterative meta-evolution. Here, zero-shot means that the model receives only the task description, with no reference operators or iterative feedback. In this work, we benchmark zero-shot synthesis of parent-selection operators across eight LLMs within a standard GP framework for symbolic regression. Each model receives the same natural-language prompt to generate a parent-selection operator, which is then evaluated in a standard GP framework with only the parent-selection operator replaced, while all other components and the evolutionary-search budget are held constant. For each LLM, ten independent zero-shot operators are evaluated on twelve OpenML regression benchmarks and compared against automatic lexicase and tournament selection baselines. Claude Sonnet~4.6 and Gemini~3.1 Pro stand out for consistently strong performance on both training and held-out test $R^2$. The strongest operator in our benchmark---a Kimi~K2.5 zero-shot synthesis---surpasses the automatic lexicase and tournament baselines in search effectiveness. These results suggest that zero-shot LLM synthesis is a viable approach to generating competitive GP selection operators. Analysis shows that many generated operators use semantics to guide selection, suggesting that LLMs can produce non-trivial search heuristics from the task description alone. We also examine the relationship between public LLM leaderboard rankings and GP performance. Widely used benchmarks, such as Humanity's Last Exam and SWE-bench Verified, strongly correlate with training $R^2$, while their relationship to held-out test $R^2$ is weaker and less clear.
Large language models are increasingly used as evolutionary engines for scientific discovery: generate candidates, select winners, feed them back as parents, and repeat. We audit whether this loop actually compounds discovery in scientific equation discovery, a setting where finite samples make structure underdetermined and interpolation easy. Under matched LLM-call budgets, parent-conditioned evolution is indistinguishable from fresh independent sampling: median OOD NMSE is 0.045 vs. 0.049, instructed multi-parent crossover is worse, final success is predicted by initial proposal quality, and multiple iteration schemes fail to add solved problems. Operationally, the loop reduces to what it produces: a dictionary of candidate terms. We turn that diagnosis into PTB-Search, a one-generation method for componentized scientific discovery. PTB-Search samples independent LLM proposals once, extracts reusable terms into a per-problem dictionary, and performs train-only set-level sparse selection with least-squares coefficients. Its central principle is that underdetermined data identifies the joint behavior of term sets, not reliable per-term credit. On identical dictionaries and zero additional LLM calls, set-level selectors solve 165--169 of 717 cells, while single-term reductions solve only 74--78. On the official 239-problem LLM-SRBench split, PTB-Search reaches 73.2% Acc0.1 with Llama-3.1-8B and 77.0% with a single-seed DeepSeek-V4 anchor, versus 49.2% for the best reported baseline, using one tenth of the standardized call budget. A program-domain stress test gives a scoped boundary: generation count remains unreliable, while retained external state can help in harder non-linear spaces. Across these results, LLMs are best understood as material suppliers; discovery is carried by external set-level selection over reusable components.
This work introduces an Evolutionary Language Model that searches over natural-language policy descriptions and compiles typed programs for execution and shows that language can serve as a steerable, execution-grounded search representation over executable program space.
Matthew Siper, A. Khalifa, Julian Togelius· 0 citations
Evolutionary program search guided by Large Language Models (LLMs) has emerged as a powerful paradigm for automated scientific discovery. However, current approaches are fundamentally constrained by three bottlenecks: structurally blind parent selection, sparse whole-program evaluation rewards, and static mutation operators that fail to adapt during search. We present GAE (Graph-Augmented Evolution), a framework that resolves these limitations through a tightly coupled, three-pillar architecture. First, a relational graph neural network (GNN) parses programs into typed computation graphs, producing structure-aware embeddings. Second, an RL-optimized meta-controller leverages these embeddings to replace blind evolutionary sampling with a directed policy, dynamically selecting optimal parents and mutation directions based on reward history. Third, an online GRPO fine-tuning loop continuously updates the LLM mutation operator at test-time using group-normalized evaluation rewards, directly aligning the model's generation distribution with high-fitness structural edits. We evaluate GAE on a challenging scientific discovery task: symbolic regression for complex nonlinear oscillator systems. By transforming stochastic search into a directed, self-improving trajectory, GAE efficiently discovers closed-form physical equations, consistently matching or outperforming static LLM-driven baselines and achieving state-of-the-art out-of-distribution performance.
We investigate whether agentic artificial intelligence can automate parts of the process of designing genetic programming systems by introducing an agentic framework that identifies and implements parent selection algorithms using large language model (LLM) reasoning and retrieval-augmented generation. Using symbolic regression as a test bed, we first conduct an ablation study across four LLM types to evaluate the effects of agentic reasoning and retrieval on generated algorithm categories, validity, implementation similarity, and downstream performance. Results show that these components substantially influence the types of algorithms generated, but their downstream performance largely depends on the underlying LLM. The strongest configuration, the full agentic setup with 5 mini (5 mini--AR), consistently generated established $\epsilon$-lexicase implementations while maintaining competitive downstream performance. We then benchmark this configuration against fixed implementations of tournament selection and semi-dynamic MAD $\epsilon$-lexicase. Across six symbolic regression problems, 5 mini--AR performed similarly to $\epsilon$-lexicase while generally outperforming tournament selection. These findings demonstrate the potential of agentic AI to translate domain knowledge into generating executable components, providing a step toward automated configuration and design of evolutionary systems.
Jose Guadalupe Hernandez, Jui-Hsuan Chang, A. Saini et al.· 0 citations
This work proposes a hybrid framework that integrates Large Language Models into GP in two complementary roles: as a semantic mutation operator that proposes non-local program rewrites during evolution, and as a post-evolution repair that iteratively refines single failed programs after search terminates.
Woletemaryam Liyew, Dojun Oh, Seokki Lee et al.· Proceedings of the Genetic a...· 0 citations