Local Search GFlowNets

Published: 16 Jan 2024, Last Modified: 13 Mar 2024ICLR 2024 spotlightEveryoneRevisionsBibTeX
Code Of Ethics: I acknowledge that I and all co-authors of this work have read and commit to adhering to the ICLR Code of Ethics.
Keywords: GFlowNet, molecule optimization, biological sequence design, local search, reinforcement learning
Submission Guidelines: I certify that this submission complies with the submission instructions as described on https://iclr.cc/Conferences/2024/AuthorGuide.
TL;DR: This paper suggest a powerful GFlowNet training method using local search.
Abstract: Generative Flow Networks (GFlowNets) are amortized sampling methods that learn a distribution over discrete objects proportional to their rewards. GFlowNets exhibit a remarkable ability to generate diverse samples, yet occasionally struggle to consistently produce samples with high rewards due to over-exploration on wide sample space. This paper proposes to train GFlowNets with local search, which focuses on exploiting high-rewarded sample space to resolve this issue. Our main idea is to explore the local neighborhood via backtracking and reconstruction guided by backward and forward policies, respectively. This allows biasing the samples toward high-reward solutions, which is not possible for a typical GFlowNet solution generation scheme, which uses the forward policy to generate the solution from scratch. Extensive experiments demonstrate a remarkable performance improvement in several biochemical tasks. Source code is available: \url{https://github.com/dbsxodud-11/ls_gfn}.
Anonymous Url: I certify that there is no URL (e.g., github page) that could be used to find authors' identity.
No Acknowledgement Section: I certify that there is no acknowledgement section in this submission for double blind review.
Primary Area: generative models
Submission Number: 918