Introduces finite-lag operator geometry deriving a source-centered transport tensor that decomposes into spread and coherent displacement plus an antisymmetric circulation measure, with proofs of covariance and stability.
Identification of slow molecular order parameters for markov model construction.The Journal of Chemical Physics, 139(1):015102, 2013
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SITA performs scalable inference-time annealing of flow-based models on molecular systems by substituting energy-based surrogate likelihoods for divergence-based importance weights.
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Finite-Lag Operator Geometry of Recurrent Representations
Introduces finite-lag operator geometry deriving a source-centered transport tensor that decomposes into spread and coherent displacement plus an antisymmetric circulation measure, with proofs of covariance and stability.
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Scalable Inference-Time Annealing with Surrogate Likelihood Estimators
SITA performs scalable inference-time annealing of flow-based models on molecular systems by substituting energy-based surrogate likelihoods for divergence-based importance weights.