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Enhanced Drug-drug Interaction Prediction Using Adaptive Knowledge Integration

arXiv cs.LG / 3/16/2026

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Key Points

  • The paper proposes a knowledge augmentation framework that adaptively infuses prior drug knowledge into a large language model to improve DDIE prediction accuracy.
  • It employs reinforcement learning to guide adaptive knowledge extraction and synthesis, optimizing the strategy space for LLM-based DDIE predictions.
  • The method tackles imbalanced datasets and generalization to unknown drug combinations, achieving notable improvements in few-shot learning over baselines.
  • This work provides a framework for scientific knowledge learning in DDIE prediction with potential implications for AI-assisted pharmacovigilance and drug safety.

Abstract

Drug-drug interaction event (DDIE) prediction is crucial for preventing adverse reactions and ensuring optimal therapeutic outcomes. However, existing methods often face challenges with imbalanced datasets, complex interaction mechanisms, and poor generalization to unknown drug combinations. To address these challenges, we propose a knowledge augmentation framework that adaptively infuses prior drug knowledge into a large language model (LLM). This framework utilizes reinforcement learning techniques to facilitate adaptive knowledge extraction and synthesis, thereby efficiently optimizing the strategy space to enhance the accuracy of LLMs for DDIE predictions. As a result of few-shot learning, we achieved a notable improvement compared to the baseline. This approach establishes an effective framework for scientific knowledge learning for DDIE predictions.