NERD

Note: Current format of NERD is NOT WORKING the way I hoped for need some more modifications.

Evolution of Discrete data with Reinforcement Learning

https://gananath.github.io/nerd.html

Requirements

• pytorch 1.3
• pysmiles 1.0
• sklearn

Current result

After some testing I found that actions taken by RL agent are collapsing to a certain action similar to mode collapse in GAN.

Sequence Generation

Epoch: 10000 Reward: -1000.0 Loss: -0.73

CCBCCCBCBCC|C||||CC|||||||||||||||||||||||||||... -10.0 -0.501915 
CCBCCCBCBCC|C||||CC|||||||||||||||||||||||||||... -10.0 -0.502028 
CCBCCCBCBCC|C||||CC|||||||||||||||||||||||||||... -10.0 -0.502080

Image Generation

https://github.com/Gananath/NERD/tree/master/NERD_IMAGES

Cite

DOI: https://doi.org/10.5281/zenodo.3518054

@misc{gananath2016,
  author = {Gananath, R.},
  title = {NERD},
  year = {2019},
  publisher = {GitHub},
  journal = {GitHub repository},
  howpublished = {\url{https://github.com/Gananath/NERD}},
  doi = {10.5281/zenodo.3518054}
}