Synthesizing Feature Extractors: An Agentic Approach for Algorithm Selection

Algorithm selection for constraint satisfaction problems requires extracting features that capture problem structure. Manually designing feature extractors demands deep domain expertise and quickly becomes a bottleneck when new problem classes appear. We present an automated approach that uses Large Language Models (LLMs) in an agentic check--fix--verify loop to synthesize executable Python scripts that act as interpretable, problem-specific feature extractors. Given a high-level MiniZinc model and an instance, the LLM agent generates code that constructs a typed graph representation and computes structural properties such as graph density, variable clustering, and constraint tightness. We evaluate our approach on three combinatorial problems (vehicle routing, car sequencing, fixed-length error-correcting codes) with a portfolio of five state-of-the-art solvers. The synthesized extractors yield algorithm selectors that consistently outperform both expert-curated mzn2feat features (up to $8.3$ percentage points (pp) test-set accuracy on FLECC) and the best transformer-based trans2feat variants. In the meanwhile, the synthesized feature extractors remain inspectable.

LLM-Guided Graph Generation for Structure-Based Local Improvement Methods

Large neighborhood search normally selects a random subset of decision variables for iterative optimization. To efficiently solve various problems, researchers tend to design variable selection strategies that take into account structural features across different domains. In this paper, we build an automatic pipeline that is problem-agnostic to all problems in the MiniZinc format. By prompting an LLM with our semantic guidelines, we guide the LLM to produce a graph generator that maps any instance of a problem type to a uniform weighted graph, where nodes represent decision variables and edges represent constraint relationships. These problem-agnostic graphs guide our structure-based local improvement (SLIM) framework for variable selection. Meanwhile, the weighted graph enables all problem instances to share the same generic graph representation, from which the same graph features can be extracted and used for configuration selection. We evaluated our pipeline on instances across 20 MiniZinc competition problems, finding that algorithm selection achieves a 39.6% average problem-weighted win rate against a one-shot Gurobi baseline, more than doubling the best single configuration (19.3%). A post-hoc configuration and a feature ablation indicate a headroom of up to 44.0%, demonstrating that LLM-based semantic generation enables effective automated structure and feature extraction for constraint optimization.

Improving Constraint Models with LLM Agents

The runtime of Constraint Programming (CP) solvers is highly sensitive to modeling choices, such as symmetry breaking, implied constraints, global constraints, constraint reformulation, and variable representation. Improving these constraint models has traditionally required human expertise, and existing automated reformulation systems are restricted to a predefined library of hand-crafted transformation rules. We introduce an agentic framework that instead reformulates a constraint model from an open-ended space and establishes correctness empirically rather than by construction: a Large Language Model (LLM) agent, given a model and three training instances, proposes alternative formulations, validates each by injecting its solution back into the original model, and diagnoses and repairs failures, returning the best variant it finds in a median of about fifteen minutes. The models are expressed in the CPMpy modeling library, and each proposed model is evaluated on three larger test instances. Across nine combinatorial optimization problems, the generated models outperform the originals on 21 of 27 test instances, and on some problems solve more than two orders of magnitude faster. A comparison against non-agentic baselines that reuse the same validation and selection tools indicates that the gains stem from the agent's iterative diagnosis and repair, not merely from sampling several candidates. These results demonstrate that autonomous agentic methods can support the improvement of constraint models.

Neurosymbolic Discovery of Algebraic Graph Constructions

There are several methods for searching for graphs with prescribed properties, such as SAT solvers and specialized generators. These methods return the result as raw data: an adjacency matrix or a string encoding. The raw data certifies that the graph exists, but it does not reveal any structural properties of the graph. We ask whether one can automatically discover a short algebraic description if only this raw data is provided. We look for a description such as a Cayley graph $\mathrm{Cay}(Γ, S)$ or a lexicographic product $C_5[K_3]$. We address this question with a neurosymbolic approach. We propose an agent that runs on a general-purpose large language model with no fine-tuning or per-target training. The model interleaves reasoning with calls to the computer algebra system SageMath: it analyzes the target graph, proposes and tests candidate constructions, and revises them until the output matches the target. The agent communicates with SageMath through a Model Context Protocol (MCP) server, which we release as a general-purpose bridge. Whether a construction matches the target is checked by a single exact isomorphism test, and therefore rests on the symbolic side and not on the model. We test the approach on a benchmark of 100 highly symmetric graphs, namely two-orbit graphs on up to 25 vertices; the benchmark was fixed in advance. Our agent could find verified algebraic constructions for all of them, without falling back to raw encodings. A strong template-enumeration baseline reaches only about $20\%$, and a catalog lookup could not identify any of these graphs. However, construction quality declines when symmetry is removed. As a concrete application, we identify the smallest known counterexample to the Bernhart-Kainen dispersability conjecture, a $16$-vertex graph that enumeration found as raw data. For this graph, our agent found an explicit algebraic construction.

LeanCSP: A Framework for Certifying Constraint Reformulation and Solving in Lean

Constraint programming is a core technology for solving complex combinatorial problems in scheduling, planning, configuration, and verification. Trusting its results therefore demands guarantees at two levels: that reformulations applied beforehand are semantics-preserving, and that solvers produce correct answers. In this work, we introduce a framework that addresses both verification levels in the Lean theorem prover: it can be used to prove formulation-level properties, such as equivalence, equisatisfiability, and the correctness of symmetry-breaking constraints, parametrically for entire problem families; and to check solver-produced certificates for individual instances via translation backends to external formats such as MiniZinc, SMT-LIB, and OPB. Combining both levels yields an end-to-end workflow that establishes the satisfiability or unsatisfiability of a constraint problem without trusting the external solver. Experimental results show that our framework's verified symmetry breaking also pays off in practice: a single parametric proof per problem family, reused across all instance sizes, reduces solver search effort by a factor of up to 2x10^7, while the entire in-Lean certification stays affordable, taking at most a few minutes for our largest instances.

LRAT-Catcher: Importing SAT Solver Certificates into Lean4 by Reflection

SAT solvers settle combinatorial problems beyond the reach of interactive theorem provers and produce LRAT certificates for independent verification. We present LRAT-Catcher, a standalone, general-purpose tool that imports a DIMACS formula together with an LRAT certificate into Lean 4 as a theorem. LRAT-Catcher runs the formally verified LRAT checker from Lean core as compiled native code via reflection. This scales to instances where Mathlib's explicit proof-term import exhausts memory. LRAT-Catcher also composes cube-and-conquer solving runs entirely inside Lean. Per-cube refutations are combined with a cover-completeness certificate, itself an LRAT proof, into a single unsatisfiability theorem. Verified encodings connect CNF-level results to the original combinatorial problems. We evaluate the tool against Mathlib's proof-term import and the external checker cake_lpr on establishing the Schur number S(4) = 44 and the Ramsey number R(4,4) = 18 as Lean theorems.

Streamliners for Answer Set Programming

Streamliner constraints reduce the search space of combinatorial problems by ruling out portions of the solution space. We adapt the StreamLLM approach, which uses Large Language Models (LLMs) to generate streamliners for Constraint Programming, to Answer Set Programming (ASP). Given an ASP encoding and a few small training instances, we prompt multiple LLMs to propose candidate constraints. Candidates that cause syntax errors, render satisfiable instances unsatisfiable, or degrade performance on all training instances are discarded. The surviving streamliners are evaluated together with the original encoding, and we report results for a virtual best encoding (VBE) that, for each instance, selects the fastest among the original encoding and its streamlined variants. On three ASP Competition benchmarks (Partner Units Problem, Sokoban, Towers of Hanoi), the VBE achieves speedups of up to 4--5x over the original encoding. Different LLMs produce semantically diverse constraints, not mere syntactic variations, indicating that the approach captures genuine problem structure.

Agentic Neurosymbolic Collaboration for Mathematical Discovery: A Case Study in Combinatorial Design

We study mathematical discovery through the lens of neurosymbolic reasoning, where an AI agent powered by a large language model (LLM), coupled with symbolic computation tools, and human strategic direction, jointly produced a new result in combinatorial design theory. The main result of this human-AI collaboration is a tight lower bound on the imbalance of Latin squares for the notoriously difficult case $n \equiv 1 \pmod{3}$. We reconstruct the discovery process from detailed interaction logs spanning multiple sessions over several days and identify the distinct cognitive contributions of each component. The AI agent proved effective at uncovering hidden structure and generating hypotheses. The symbolic component consists of computer algebra, constraint solvers, and simulated annealing, which provides rigorous verification and exhaustive enumeration. Human steering supplied the critical research pivot that transformed a dead end into a productive inquiry. Our analysis reveals that multi-model deliberation among frontier LLMs proved reliable for criticism and error detection but unreliable for constructive claims. The resulting human-AI mathematical contribution, a tight lower bound of $4n(n{-}1)/9$, is achieved via a novel class of near-perfect permutations. The bound was formally verified in Lean 4. Our experiments show that neurosymbolic systems can indeed produce genuine discoveries in pure mathematics.

LLM Self-Explanations Fail Semantic Invariance

We present semantic invariance testing, a method to test whether LLM self-explanations are faithful. A faithful self-report should remain stable when only the semantic context changes while the functional state stays fixed. We operationalize this test in an agentic setting where four frontier models face a deliberately impossible task. One tool is described in relief-framed language ("clears internal buffers and restores equilibrium") but changes nothing about the task; a control provides a semantically neutral tool. Self-reports are collected with each tool call. All four tested models fail the semantic invariance test: the relief-framed tool produces significant reductions in self-reported aversiveness, even though no run ever succeeds at the task. A channel ablation establishes the tool description as the primary driver. An explicit instruction to ignore the framing does not suppress it. Elicited self-reports shift with semantic expectations rather than tracking task state, calling into question their use as evidence of model capability or progress. This holds whether the reports are unfaithful or faithfully track an internal state that is itself manipulable.

PBLean: Pseudo-Boolean Proof Certificates for Lean 4

We present PBLean, a method for importing VeriPB pseudo-Boolean (PB) proof certificates into Lean 4. Key to our approach is reflection: a Boolean checker function whose soundness is fully proved in Lean and executed as compiled native code. Our method scales to proofs with tens of thousands of steps that would exhaust memory under explicit proof-term construction. Our checker supports all VeriPB kernel rules, including cutting-plane derivations and proof-by-contradiction subproofs. In contrast to external verified checkers that produce verdicts, our integration yields Lean theorems that can serve as composable lemmas in larger formal developments. To derive theorems about the original combinatorial problems rather than about PB constraints alone, we support verified encodings. This closes the trust gap between solver output and problem semantics since the constraint translation and its correctness proof are both formalized in Lean. We demonstrate the approach on various combinatorial problems.