Integrating neuro-symbolic AI and knowledge graph for enhanced geochemical prediction in copper deposits

The integration of machine learning (ML) and deep learning (DL) in geoscience has demonstrated great promise for mineral prediction. However, existing approaches are predominantly data-driven and often overlook expert geological knowledge, limiting their interpretability, accuracy, and practical applicability. This study introduces a new method that combines Large Language Models (LLMs), knowledge graphs (KGs), and Neuro-Symbolic AI (NSAI) models to predict mineralization systems in diverse copper deposits, significantly increasing the precision in prediction results. We utilize LLMs to generate KGs from geological literature, extracting symbolic rules that encode domain-specific insights about copper mineralization. These rules, derived dynamically from expert knowledge, are integrated into ML models as guidance during the training and prediction phases. By fusing symbolic reasoning with ML's computational power, our approach overcomes the limitations of black-box models, offering both improved accuracy and transparency in mineral prediction. To validate this method, we apply it to a comprehensive geochemical dataset of global copper deposits. The results show that rule-guided ML models achieve notable performance improvements, outperforming traditional ML methods in accuracy, precision, and robustness. Interpretability is further enhanced by using tools such as SHAP values, which explain the influence of individual geochemical features within the rule-based framework. This combination not only identifies critical geochemical elements like Cu, Fe, and S but also provides coherent, domain-aligned explanations for the predicted mineralization patterns. Our findings demonstrate the transformative potential of combining LLMs, KGs, and ML models for mineral prediction. This hybrid approach enables geoscientists to leverage both computational and expert knowledge, achieving a deeper understanding of mineralization systems.