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How to overcome the data deficit faced by QLLM in pharmaceutical research?

2025-09-10 1.5 K

Problem analysis

Drug discovery is characterized by data scarcity and high experimental costs, while QLLM requires sufficient data to take advantage of quantum advantages.

solution strategy

  • transfer learning: Fine-tuning with pre-trained biomedical QLLMs
  • data enhancement: Application of Quantum Generative Adversarial Networks (QGAN) to synthesize molecular structure data
  • multimodal learning: Integration of external knowledge sources such as AlphaFold, a protein structure prediction model
  • Active Learning: Guiding experimental design through quantum Bayesian optimization for efficient data collection

Implementation pathway

A "small-data-driven" approach is suggested: 1) establish a quantum embedding space for molecular characterization; 2) use quantum similarity metrics to guide compound screening; and 3) iteratively optimize the model step by step.

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