karalets

All this should not be a problem once the pipeline is cleaned up enough that we can quickly iterate on some things. On Thu, May 7, 2020 at 9:57 AM...

Also: we had a manual chat on this last week with YQ, I would avocate to first try simple things like using a globally learned sigma, and in both homoschedastic...

Also tagging @dnguyen1196 here to be aware of these discussions.

I'd prefer to keep the RL agent separate since that doc talks about graph-nets and mentions Bayesian sth., but not any RL. Also we had an earlier doc about RL...

Also please have a look at issue #3 as the intro to it gives some context here.

I am quoting what I wrote last in #24 : > Here's a recent paper doing chem-stuff: > https://jcheminf.biomedcentral.com/articles/10.1186/s13321-019-0396-x > > Here's a very rough overview of the core idea:...

Is this something that maybe @dnguyen1196 would like to take point on? To really dig down on this specific aspect?

Thank you for starting this issue! In particular, I am interested in the following few details. 1. We are currently using ESOL I assume to do purely supervised learning on...

> > Graph generativce models are important for the tasks we have been describing. > > I totally agree that this is a very interesting area. But I'm not sure...

> Also, structuring `P(G|Z)` in real life is by no means easy. There are a lot of aspects to leverage---validity of exploitation results, efficiency of exploration results,... and ideally we'd...