SGenheden
commented
1 year ago Hello Will,
Thanks for this. The formula implemented is of course from Thakkar et al. Chem Sci (2020) and I don't think that anyone has looked at this equation in 3 years. So thanks for keeping us on our toes :-) At some point in time, I did convince myself that this was correct, but I am unable to do this today. It very much seems like we include the typical value of C twice. I don't necessarily thinks it is anything wrong with using a different value of C than sqrt(2), and we haven't seen much effect of changing C in the past (although I would like to re-do those tests). So in short: consider the AiZynthFinder to me an atypical implementation of MCTS (it already is :-) in other respects). I don't see that we will change this anytime soon.
BR Samuel
Hey Samual and team,
Thanks for this awesome work.
Just a quick question about your UCB formula.
I've seen the UCB1 formula written as
wi/ni + c*sqrt(ln(N)/ni).But in your code you do
c*sqrt(2*ln(N)/ni)for the exploration part.I believe you have C set to 1.4 (ie approximately sqrt(2)). Are you setting C twice? - once hard coded into the UCB formula with the sqrt(2*ln...), and once with the C in the config? Or perhaps I am confused about the UCB formula?
Kind regards, Will