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Unified atomistic modeling has the potential to accelerate discovery in chemistry, materials science, and biology by bridging data-rich chemical domains and data-scarce biological contexts. However, existing generative approaches to atomistic modeling remain highly specialized to scientific disciplines (chemistry vs. b...
We introduce AREX, a training-free sampler for pretrained flow matching models that uses the target mean and covariance to capture an analytically tractable part of the sampling dynamics. We show that the velocity field of the moment-matched Gaussian target is the $L^2$-optimal affine approximation to the marginal velo...
Probabilistic forecasting is important for predicting complex dynamical systems because intrinsic randomness and incomplete observations can cause the same observed state to evolve into multiple plausible futures. While flow matching is a flexible approach for probabilistic forecasting, it is computationally expensive....
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