Large language models (LLMs) have achieved remarkable success in natural language processing (NLP), demonstrating significant capabilities in processing and understanding text data. However, recent studies have identified limitations in LLMs’ ability to manipulate, program, and reason about structured data, especially graphs. We introduce GraphEval36K, the first comprehensive graph dataset, comprising 40 graph coding problems and 36,900 test cases to evaluate the ability of LLMs on graph problem-solving. Our dataset is categorized into eight primary and four sub-categories to ensure a thorough evaluation across different types of graphs. We benchmark eight LLMs, finding that private models outperform open-source ones, though the gap is narrowing. We also analyze the performance of LLMs across directed vs undirected graphs, different kinds of graph concepts, and network models. Furthermore, to improve the usability of our evaluation framework, we propose Structured Symbolic Decomposition (SSD), an instruction-based method designed to enhance LLM performance on complex graph tasks. Results show that SSD improves the average passing rate of GPT-4, GPT-4o, Gemini-Pro and Claude-3-Sonnet by 8.38%, 6.78%, 29.28% and 25.28%, respectively.

Large Language Models (LLMs) have achieved remarkable success in natural language tasks, yet understanding their reasoning processes remains a significant challenge. We address this by introducing XplainLLM, a dataset accompanying an explanation framework designed to enhance LLM transparency and reliability. Our dataset comprises 24,204 instances where each instance interprets the LLM’s reasoning behavior using knowledge graphs (KGs) and graph attention networks (GAT), and includes explanations of LLMs such as the decoder-only Llama-3 and the encoder-only RoBERTa. XplainLLM also features a framework for generating grounded explanations and the debugger-scores for multidimensional quality analysis. Our explanations include why-choose and why-not-choose components, reason-elements, and debugger-scores that collectively illuminate the LLM’s reasoning behavior. Our evaluations demonstrate XplainLLM’s potential to reduce hallucinations and improve grounded explanation generation in LLMs. XplainLLM is a resource for researchers and practitioners to build trust and verify the reliability of LLM outputs. Our code and dataset are publicly available.