Langevin Speculative Dynamics
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Speculative Sampling For Faster Molecular Dynamics
arXiv:2606.02455v1 Announce Type: cross Abstract: Molecular dynamics (MD) is a key tool for simulating the dynamical behavior of atomic systems. However, MD is inherently serial, which makes it difficult to increase single-system throughput with concurrent compute. To address this, we introduce Langevin Speculative Dynamics (LSD), a distributed and model-agnostic speculative sampler for accelerating MD without adding relative error.
Speculative Sampling For Faster Molecular Dynamics
arXiv:2606.02455v1 Announce Type: new Abstract: Molecular dynamics (MD) is a key tool for simulating the dynamical behavior of atomic systems. However, MD is inherently serial, which makes it difficult to increase single-system throughput with concurrent compute. To address this, we introduce Langevin Speculative Dynamics (LSD), a distributed and model-agnostic speculative sampler for accelerating MD without adding relative error.