Large Language Models (LLMs) have shown unprecedented performance in various real-world applications. However, they are known to generate factually inaccurate outputs, a.k.a. the hallucination problem. In recent years, incorporating external knowledge extracted from Knowledge Graphs (KGs) has become a promising strategy to improve the factual accuracy of LLM-generated outputs. Nevertheless, most existing explorations rely on LLMs themselves to perform KG knowledge extraction, which is highly inflexible as LLMs can only provide binary judgment on whether a certain knowledge (e.g., a knowledge path in KG) should be used. In addition, LLMs tend to pick only knowledge with direct semantic relationship with the input text, while potentially useful knowledge with indirect semantics can be ignored. In this work, we propose a principled framework KELP with three stages to handle the above problems. Specifically, KELP is able to achieve finer granularity of flexible knowledge extraction by generating scores for knowledge paths with input texts via latent semantic matching. Meanwhile, knowledge paths with indirect semantic relationships with the input text can also be considered via trained encoding between the selected paths in KG and the input text. Experiments on real-world datasets validate the effectiveness of KELP.

In recent years, Graph Neural Networks (GNNs) have become successful in molecular property prediction tasks such as toxicity analysis. However, due to the black-box nature of GNNs, their outputs can be concerning in high-stakes decision-making scenarios, e.g., drug discovery. Facing such an issue, Graph Counterfactual Explanation (GCE) has emerged as a promising approach to improve GNN transparency. However, current GCE methods usually fail to take domain-specific knowledge into consideration, which can result in outputs that are not easily comprehensible by humans. To address this challenge, we propose a novel GCE method, LLM-GCE, to unleash the power of large language models (LLMs) in explaining GNNs for molecular property prediction. Specifically, we utilize an autoencoder to generate the counterfactual graph topology from a set of counterfactual text pairs (CTPs) based on an input graph. Meanwhile, we also incorporate a CTP dynamic feedback module to mitigate LLM hallucination, which provides intermediate feedback derived from the generated counterfactuals as an attempt to give more faithful guidance. Extensive experiments demonstrate the superior performance of LLM-GCE. Our code is released on https://github.com/YinhanHe123/new_LLM4GNNExplanation.