Discretization-Aware Fine-Tuning for Quantum Machine Learning with Chemical Foundation Models
arXiv (2026-09) · Shunji Matsuura, Sonika Johri
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AI-generated summary
- Adapts chemical foundation-model representations to reduce collisions between differently labeled molecules after conversion to short bit strings.
- Evaluates blood–brain barrier permeability prediction using ChemBERTa and simulated quantum circuits.
- Reports higher accuracy than a logistic-regression baseline on identical inputs at 10 qubits; this is a restricted model comparison.
Significance
Examines how information lost during discretization affects subsequent classification.
Relation to lab research
Offers a reference for assessing information loss when compressing brain representations. Adaptation to fMRI or EEG remains untested.