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Necessary Sacrifices
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A Weak Convergence Viewpoint on Invertible Coarse-Graining
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- 1 Intro
- 2 The necessity of coarse-graining
- 3 Challenges in coarse-graining biomolecular systems
- 4 Why use machine learning in this setting?
- 5 Invertible, state-dependent coarse-graining
- 6 Flexible and useful embeddings
- 7 Thermodynamic consistency (Noid and Voth)
- 8 Weak thermodynamic consistency
- 9 Rigorously inverting the CG sampling
- 10 Necessary Sacrifices
- 11 Metastability in protein folding / misfolding
- 12 Large-and small-scale observables well-captured
