GTA: Graph Theory Agent and Benchmark for Algorithmic Graph Reasoning with LLMs

Large language models (LLMs) are increasingly used as self-study assistants in technical disciplines, yet their reliability as mathematical reasoning assistants remains poorly understood. We introduce GTBench, a curriculum-grounded benchmark for evaluating LLMs as mathematical research assistants in graph theory, comprising 63 problems organized into three groups of increasing difficulty: undergraduate definitions and basic properties (Group 1), algorithm tracing and structural reasoning (Group 2), and graduate-level proof construction (Group 3). Problems are sourced from verified academic materials including Diestel's Graph Theory. We evaluate five frontier models -- GPT-5, Claude Sonnet 4.6, Gemini 2.5 Flash-Lite, Llama 3.3 70B, and Mistral Large 3 -- under zero-shot and chain-of-thought prompting, using exact-match and LLM-as-judge evaluation for Groups 1 and 2, and a hybrid human expert and LLM-as-judge protocol for Group 3. Our results reveal a pronounced performance hierarchy: GPT-5 approaches ceiling on Group 1 (95.8% zero-shot) and maintains meaningful accuracy on graduate proofs (82%), while all other models degrade substantially with difficulty, with Llama achieving 0% under human evaluation on Group 3 zero-shot. Failure mode analysis shows that correct algorithm, wrong execution errors dominate Groups 1 and 2, while Group 3 additionally surfaces incomplete reasoning failures and reveals systematic disagreement between human evaluators and the automated judge, particularly on verbose or near-complete proofs (kappa = 0.48-0.83 across human pairs). GTBench provides the first curriculum-grounded evaluation framework for graph-theoretic reasoning in LLMs, with direct implications for the governance of AI tools in mathematical education and scientific research.

Graph reasoning provides a promising testbed for evaluating the reasoning ability of large language models (LLMs), as graph instances can be programmatically generated, structurally controlled, and naturally scaled to long-input settings. However, existing graph reasoning benchmarks have limited coverage of data complexity, rely heavily on manual construction, and lack unified evaluation across text-based and code-based reasoning modes. To address these limitations, we propose {\dataset}, a five-stage \textit{semi-automatic} framework for constructing complex graph reasoning benchmarks. It expands benchmark coverage along five dimensions: \textit{Graph Size}, \textit{Task Complexity}, \textit{Task Description}, \textit{Graph Loading}, and \textit{Task Source}. The framework uses an LLM-based data generator to automatically produce task descriptions, graph data, reference solutions, graph-loading scripts, question forms, and evaluation scripts, while retaining human validation at key quality-control stages. Based on it, we construct a benchmark with $202$ tasks and evaluate LLMs under text-based, code-based, and augmented reasoning settings. Experiments show that the complexity dimensions reveal model limitations that are less visible in existing benchmarks; existing fine-tuned models struggle to generalize to GraphGym, whereas retrieval-augmented methods show scenario-dependent adaptability, improving textual reasoning but not consistently improving coding reasoning. These findings suggest that ours serves as a challenging and diagnostic benchmark for graph reasoning and provides empirical guidance for future enhancement methods. Code and dataset will be published soon.

Using Large Language Models (LLMs) to process graph-structured data is an active research area, yet current state-of-the-art approaches typically rely on multi-step pipelines with Graph Neural Network (GNN) encoders that compress rich textual attributes into solitary tokens, creating a significant semantic bottleneck. In this paper, we introduce the Graph Transformer Language Model (GTLM), a novel architecture that enables pretrained LLMs to natively process graph topologies while entirely eliminating this compressive bottleneck. GTLM is exceptionally parameter-efficient: by injecting graph-aware attention biases directly into the LLM's attention modules, it introduces only 0.015% additional parameters relative to the base model. We theoretically prove that our bidirectional attention prefix preserves node permutation equivariance while maintaining exact backward compatibility with the pretrained base model. Extensive evaluations demonstrate that a 1B-parameter GTLM matches or exceeds the performance of 7B-parameter state-of-the-art models on standard Text-Attributed Graph benchmarks, while significantly surpassing baselines on GraphQA. Finally, we demonstrate that GTLM attention heads implicitly learn to simulate message passing, explaining its superior performance on algorithmic tasks. This paradigm shift enables true algorithmic reasoning within LLMs and provides a scalable foundation for next-generation GraphRAG and relational deep learning.