towards_entropy (@towards_entropy) 's Twitter Profile
towards_entropy

@towards_entropy

Stuck in vector space

ID: 1020867294916837376

linkhttp://github.com/kheyer calendar_today22-07-2018 03:05:04

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towards_entropy (@towards_entropy) 's Twitter Profile Photo

Following up on some work by Vijay Pande's group. Retrosynthesis reaction prediction top-1 accuracy boosted to 62% (previously 54.6%) using transformers and SMILES based data augmentation github.com/kheyer/Retrosy…

towards_entropy (@towards_entropy) 's Twitter Profile Photo

Mean squared error is derived from maximum likelihood assuming p(y|x) is Gaussian. Are there derivations for loss functions following the same procedure using a different assumed distribution? Specifically something fat tailed, like a Levy distribution

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Are there any code samples from the SOM networks from the Deep Learning/DDR1 Kinase paper (nature.com/articles/s4158…)? The SOM networks aren't included in the author's shared code

Xiang Fu (@xiangfu_ml) 's Twitter Profile Photo

New paper: an end-to-end approach for learning to simulate coarse-grained molecular dynamics! - Multi-scale GNN - complex systems: polymers and batteries - very long stable rollouts - orders of magnitude faster than classical force fields! arxiv.org/abs/2204.10348 🧵1/n