GFFMERGE: Efficient Merging of Graph Neural Force Fields and Beyond
Developed GFFMerge, a framework for merging specialized graph neural force fields without full joint retraining. The method aligns embeddings for compatible linear blocks and uses targeted fine-tuning to recover performance across molecular and materials benchmarks.
- Achieved performance close to jointly fine-tuned gold-standard models.
- Reduced training cost with 5-27x speedups across benchmark settings.
- Explored model merging beyond standard neural network domains.