Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Understanding the role of predictive time delay and biased propagator in
  RAVE   In this work, we revisit our recent iterative machine learning (ML) --
molecular dynamics (MD) technique "Reweighted autoencoded variational Bayes for
enhanced sampling (RAVE)" (Ribeiro, Bravo, Wang, Tiwary, J. Chem. Phys. 149
072301 (2018) and Wang, Ribeiro, Tiwary, Nature Commun. 10 3573 (2019)) and
analyze as well as formalize some of its approximations. These including: (a)
the choice of a predictive time-delay, or how far into the future should the ML
try to predict the state of a given system output from MD, and (b) for short
time-delays, how much of an error is made in approximating the biased
propagator for the dynamics as the unbiased propagator. We demonstrate through
a master equation framework as to why the exact choice of time-delay is
irrelevant as long as a small non-zero value is adopted. We also derive a
correction to reweight the biased propagator, and somewhat to our
dissatisfaction but also to our reassurance, find that it barely makes a
difference to the intuitive picture we had previously derived and used.

17
The categories of this paper are: q-fin
14
The categories of this paper are: math-ph
24
The categories of this paper are: dg-ga
30
The categories of this paper are: q-alg
33
The categories of this paper are: plasm-ph
29
The categories of this paper are: funct-an
25
The categories of this paper are: patt-sol
37
The categories of this paper are: supr-con
20
The categories of this paper are: acc-phys
18
The categories of this paper are: econ
23
The categories of this paper are: solv-int
16
The categories of this paper are: stat
8
The categories of this paper are: hep-ex
10
The categories of this paper are: q-bio
32
The categories of this paper are: atom-ph
36
The categories of this paper are: cmp-lg