Recent studies have suggested that Large Language Models (LLMs) could provide interesting ideas contributing to mathematical discovery. This claim was motivated by reports that LLM-based genetic algorithms produced heuristics offering new insights into the online bin packing problem under uniform and Weibull distributions. In this work, we reassess this claim through a detailed analysis of the heuristics produced by LLMs, examining both their behavior and interpretability. Despite being human-readable, these heuristics remain largely opaque even to domain experts. Building on this analysis, we propose a new class of algorithms tailored to these specific bin packing instances. The derived algorithms are significantly simpler, more efficient, more interpretable, and more generalizable, suggesting that the considered instances are themselves relatively simple. We then discuss the limitations of the claim regarding LLMs' contribution to this problem, which appears to rest on the mistaken assumption that the instances had previously been studied. Our findings instead emphasize the need for rigorous validation and con-textualization when assessing the scientific value of LLM-generated outputs.

While combining large language models (LLMs) with evolutionary algorithms (EAs) shows promise for solving complex optimization problems, current approaches typically evolve individual solutions, often incurring high LLM call costs. We introduce \(X\)-evolve, a paradigm-shifting method that instead evolves solution spaces \(X\) (sets of individual solutions) - subsets of the overall search space \(S\). In \(X\)-evolve, LLMs generate tunable programs wherein certain code snippets, designated as parameters, define a tunable solution space. A score-based search algorithm then efficiently explores this parametrically defined space, guided by feedback from objective function scores. This strategy enables broader and more efficient exploration, which can potentially accelerate convergence at a much lower search cost, requiring up to two orders of magnitude fewer LLM calls than prior leading methods. We demonstrate \(X\)-evolve's efficacy across three distinct hard optimization problems. For the cap set problem, we discover a larger partial admissible set, establishing a new tighter asymptotic lower bound for the cap set constant (\(C \ge 2.2203\)). In information theory, we uncover a larger independent set for the 15-vertex cycle graph (\(\mathcal{C}_{15}^{\boxtimes 5}\), size 19,946), thereby raising the known lower bound on its Shannon capacity. Furthermore, for the NP-hard online bin packing problem, we generate heuristics that consistently outperform standard strategies across established benchmarks. By evolving solution spaces, our method considerably improves search effectiveness, making it possible to tackle high-dimensional problems that were previously computationally prohibitive.

The Unit Commitment (UC) problem is a classic challenge in the optimal scheduling of power systems. Years of research and practice have shown that formulating reasonable unit commitment plans can significantly improve the economic efficiency of power systems' operations. In recent years, with the introduction of technologies such as machine learning and the Lagrangian relaxation method, the solution methods for the UC problem have become increasingly diversified, but still face challenges in terms of accuracy and robustness. This paper proposes a Function Space Search (FunSearch) method based on large language models. This method combines pre-trained large language models and evaluators to creatively generate solutions through the program search and evolution process while ensuring their rationality. In simulation experiments, a case of unit commitment with \(10\) units is used mainly. Compared to the genetic algorithm, the results show that FunSearch performs better in terms of sampling time, evaluation time, and total operating cost of the system, demonstrating its great potential as an effective tool for solving the UC problem.

Large Language Models (LLMs) with reasoning are trained to iteratively generate and refine their answers before finalizing them, which can help with applications to mathematics and code generation. We apply code generation with reasoning LLMs to a specific task in the mathematical field of combinatorial design. This field studies diverse types of combinatorial designs, many of which have lists of open instances for which existence has not yet been determined. The Constructive Protocol CPro1 uses LLMs to generate search heuristics that have the potential to construct solutions to small open instances. Starting with a textual definition and a validity verifier for a particular type of design, CPro1 guides LLMs to select and implement strategies, while providing automated hyperparameter tuning and execution feedback. CPro1 with reasoning LLMs successfully solves long-standing open instances for 7 of 16 combinatorial design problems selected from the 2006 Handbook of Combinatorial Designs, including new solved instances for 3 of these (Bhaskar Rao Designs, Symmetric Weighing Matrices, Balanced Ternary Designs) that were unsolved by CPro1 with non-reasoning LLMs. It also solves open instances for several problems from recent (2025) literature, generating new Covering Sequences, Johnson Clique Covers, Deletion Codes, and a Uniform Nested Steiner Quadruple System.

"You can see it as a sort of super coding agent," says Pushmeet Kohli, a vice president at Google DeepMind who leads its AI for Science teams. "It doesn't just propose a piece of code or an edit, it actually produces a result that maybe nobody was aware of." In particular, AlphaEvolve came up with a way to improve the software Google uses to allocate jobs to its many millions of servers around the world. Google DeepMind claims the company has been using this new software across all of its data centers for more than a year, freeing up 0.7% of Google's total computing resources. That might not sound like much, but at Google's scale it's huge.

We present a new implementation of the LLM-driven genetic algorithm {\it funsearch}, whose aim is to generate examples of interest to mathematicians and which has already had some success in problems in extremal combinatorics. Our implementation is designed to be useful in practice for working mathematicians; it does not require expertise in machine learning or access to high-performance computing resources. Applying {\it funsearch} to a new problem involves modifying a small segment of Python code and selecting a large language model (LLM) from one of many third-party providers. We benchmarked our implementation on three different problems, obtaining metrics that may inform applications of {\it funsearch} to new problems. Our results demonstrate that {\it funsearch} successfully learns in a variety of combinatorial and number-theoretic settings, and in some contexts learns principles that generalize beyond the problem originally trained on.

Perturbative Quantum Field Theory has proven to be a vastly successful theoretical framework for calculating precision predictions, with applications ranging from collider physics to gravitational-wave physics. A crucial step in the calculation of precision predictions is the reduction of the occurring Feynman integrals to a much smaller set of so-called master integrals, using integration-by-parts (IBP) identities [1-3]. This IBP reduction is a major bottleneck in precision calculations, requiring hundred thousands of CPU hours in current applications [4] and obstructing other applications altogether. IBP identities relate Feynman integrals with different integer exponents of the propagators as well as irreducible scalar products (ISP) in the numerator. They can easily be derived for general values of the exponents, see e.g.

NP-hard problem-solving traditionally relies on heuristics, but manually crafting effective heuristics for complex problems remains challenging. While recent work like FunSearch has demonstrated that large language models (LLMs) can be leveraged for heuristic design in evolutionary algorithm (EA) frameworks, their potential is not fully realized due to its deficiency in exploitation and exploration. We present UBER (Uncertainty-Based Evolution for Refinement), a method that enhances LLM+EA methods for automatic heuristic design by integrating uncertainty on top of the FunSearch framework. UBER introduces two key innovations: an Uncertainty-Inclusive Evolution Process (UIEP) for adaptive exploration-exploitation balance, and a principled Uncertainty-Inclusive Island Reset (UIIS) strategy for maintaining population diversity. Through extensive experiments on challenging NP-complete problems, UBER demonstrates significant improvements over FunSearch. Our work provides a new direction for the synergy of LLMs and EA, advancing the field of automatic heuristic design.

Recent years have seen a significant surge in complex AI systems for competitive programming, capable of performing at admirable levels against human competitors. While steady progress has been made, the highest percentiles still remain out of reach for these methods on standard competition platforms such as Codeforces. Here we instead focus on combinatorial competitive programming, where the target is to find as-good-as-possible solutions to otherwise computationally intractable problems, over specific given inputs. We hypothesise that this scenario offers a unique testbed for human-AI synergy, as human programmers can write a backbone of a heuristic solution, after which AI can be used to optimise the scoring function used by the heuristic. We deploy our approach on previous iterations of Hash Code, a global team programming competition inspired by NP-hard software engineering problems at Google, and we leverage FunSearch to evolve our scoring functions. Our evolved solutions significantly improve the attained scores from their baseline, successfully breaking into the top percentile on all previous Hash Code online qualification rounds, and outperforming the top human teams on several. Our method is also performant on an optimisation problem that featured in a recent held-out AtCoder contest.

Google DeepMind claims to have made the first ever scientific discovery with an AI chatbot by building a fact-checker to filter out useless outputs, leaving only reliable solutions to mathematical or computing problems. Previous DeepMind achievements, such as using AI to predict the weather or protein shapes, have relied on models created specifically for the task at hand, trained on accurate and specific data. Large language models (LLMs), such as GPT-4 and Google's Gemini, are instead trained on vast amounts of varied data to create a breadth of abilities. But that approach also makes them susceptible to "hallucination", a term researchers use for producing false outputs. Gemini – which was released earlier this month – has already demonstrated a propensity for hallucination, getting even simple facts such as the winners of this year's Oscars wrong.