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HMC with Normalizing Flows

Normalizing Flows are used within Hamiltonian Monte Carlo to generate independent molecular configurations more effectively and at larger scales.

Year
2021
Venue
arXiv 2021
Authors
6
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arxiv.org/abs/2112.01586ARXIV-DEFAULT
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Abstract

We propose using Normalizing Flows as a trainable kernel within the molecular dynamics update of Hamiltonian Monte Carlo (HMC). By learning (invertible) transformations that simplify our dynamics, we can outperform traditional methods at generating independent configurations. We show that, using a carefully constructed network architecture, our approach can be easily scaled to large lattice volumes with minimal retraining effort. The source code for our implementation is publicly available online at https://github.com/nftqcd/fthmc.

Authors

6