AIBullisharXiv – CS AI · 11h ago6/10
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Predictive Feature Caching for Training-free Acceleration of Molecular Geometry Generation
Researchers propose a training-free caching strategy that accelerates molecular geometry generation in flow matching models by predicting intermediate hidden states, achieving 2-7x speedups without quality degradation. The method is compatible with pretrained models and compounds with existing optimizations, addressing a critical inference bottleneck in computational chemistry workflows.