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Transfer learning and few-shot force-field learning

Determine the degree of fine-tuning required for downstream tasks in molecular foundation models and establish whether few-shot force-field learning is feasible with fewer than 100 training examples.

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Background

The paper explicitly queries the transferability of pretrained molecular foundation models to downstream tasks such as force-field learning, especially under data scarcity. Understanding how much fine-tuning is needed and whether few-shot regimes are viable is crucial for practical adoption.

The authors highlight the potential for substantial efficiency gains if robust few-shot learning of physically consistent force fields can be achieved.

References

Key open questions: Transfer learning: How much fine-tuning is needed? Can we do "few-shot" force field learning with <100 examples?

Learning Biomolecular Motion: The Physics-Informed Machine Learning Paradigm (2511.06585 - Deshpande, 10 Nov 2025) in Section 7, Future Directions—Physics-Grounded Foundation Models