FormuEvo: LLM-Guided Evolution for Discovering Solver-Efficient Mixed-Integer Programming Formulations

Mixed-Integer Linear Programming (MILP) is a fundamental tool for combinatorial optimization with extensive real-world applications. A central challenge is designing computationally efficient MILP formulations. Large Language Models (LLMs) offer new opportunities to automate the modeling process, from deriving formulations to strengthening them. Reliable automation requires robust methods for verifying that proposed formulations preserve the underlying optimization problem. However, existing approaches evaluate formulations numerically and fail to reason about general problem instances. We resolve this limitation by introducing a constructive definition of MILP reformulation that can be formalized in Lean and machine-checked. We develop FLARE (Formulation-Level Automated Reformulation Evaluation), a method that uses an LLM-based agent and the Lean proof assistant to verify proposed reformulations against a reference formulation. To evaluate our approach, we introduce FormulationBench, a challenging dataset of 20 problems and 109 formulations. FLARE outperforms existing methods, with 100% accuracy on the NP-hard subset of FormulationBench. Furthermore, FLARE produces a machine-checkable certificate for every reformulation it accepts. For cases where formal guarantees are not necessary, we introduce FLARE-NL, a fast and cheap LLM proxy that matches FLARE's accuracy but produces no certificate. These methods enable reliable verification in automated optimization modeling.

Configuring the hyperparameters of Mixed-integer programming (MIP) solvers is a high-dimensional, instance-dependent optimization problem where suboptimal settings can degrade solving time by orders of magnitude. Default configurations are often suboptimal, while traditional tuning methods either suffer from the ``cold-start'' problem and inefficient search or heavily rely on expert experience. This paper introduces GRIMIP (General Reasoning for Instance-specific MIP configuration), a novel hybrid intelligence framework that synergistically integrates the semantic reasoning capabilities of Large Language Models (LLMs) with the sample-efficient search of Bayesian Optimization (BO). GRIMIP enables the LLM to function as a complete probabilistic surrogate within the BO loop, significantly improving performance and reducing sampling and evaluation costs. On seven benchmarks including MIPLIB, GRIMIP achieves over 40% reduction in Primal-Dual Integral on hard instances, outperforming SMAC and other LLM-assisted BO methods. By granting LLMs sufficient autonomy, GRIMIP combines the expert-level reasoning of LLMs with the efficient search of BO, achieving state-of-the-art performance.

Combinatorial problems appear in numerous industrial applications. A common approach is to formulate these problems as declarative constraint models that can subsequently be compiled to and solved by a range of back-end solvers. Recent work shows that Large Language Models (LLMs) can produce correct models from natural language, but even a correct model can be expensive to solve because performance remains sensitive to modelling choices. In this work, we investigate whether LLMs can automate performance-oriented model reformulation. Inspired by Automatic Heuristic Design (AHD), we use an evolutionary framework in which an LLM proposes candidate reformulations that are verified and benchmarked against the user-defined baseline model. We compare AHD-adapted search strategies that control which prior attempts, instructions, and measured feedback enter each prompt. Existing retention strategies prioritize recency or performance, but do not explicitly diversify the context. To cover this gap, we introduce Profile-Diverse Retention (PDR), which applies Maximal Marginal Relevance (MMR) to instance-level runtime vectors to retain behaviourally diverse attempts. We systematically evaluate the strategies on eight CSPLib problems using validation-based final model selection. The results show that: (i) iterative reformulation can produce substantial held-out speedups; (ii) strategies that keep the retained context diverse outperform those that retain only recent or the fastest attempts; and (iii) validation-based selection improves the held-out speedup of every strategy.