SC-UCG uses message passing to self-consistently infer internal state probabilities during coarse-grained MD, and with the MISC training scheme it captures a chiral symmetry-breaking phase transition from single-temperature training.
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Next Generation of Ultra-Coarse-Graining: Self-Consistent Inference of Critical Internal States
SC-UCG uses message passing to self-consistently infer internal state probabilities during coarse-grained MD, and with the MISC training scheme it captures a chiral symmetry-breaking phase transition from single-temperature training.