AI RESEARCH
Protein Language Model Embeddings Improve Generalization of Implicit Transfer Operators
arXiv CS.LG
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ArXi:2602.11216v2 Announce Type: replace Molecular dynamics (MD) is a central computational tool in physics, chemistry, and biology, enabling quantitative prediction of experimental observables as expectations over high-dimensional molecular distributions such as Boltzmann distributions and transition densities. However, conventional MD is fundamentally limited by the high computational cost required to generate independent samples.