Boosted GFlowNets: Improving Exploration via Sequential Learning

Fuente: arXiv
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Main Authors: Dall'Antonia, Pedro, da Silva, Tiago, de Souza, Daniel Augusto, Mattos, César Lincoln C., Mesquita, Diego
Format: Preprint
Published: 2025
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author Dall'Antonia, Pedro
da Silva, Tiago
de Souza, Daniel Augusto
Mattos, César Lincoln C.
Mesquita, Diego
author_facet Dall'Antonia, Pedro
da Silva, Tiago
de Souza, Daniel Augusto
Mattos, César Lincoln C.
Mesquita, Diego
contents Generative Flow Networks (GFlowNets) are powerful samplers for compositional objects that, by design, sample proportionally to a given non-negative reward. Nonetheless, in practice, they often struggle to explore the reward landscape evenly: trajectories toward easy-to-reach regions dominate training, while hard-to-reach modes receive vanishing or uninformative gradients, leading to poor coverage of high-reward areas. We address this imbalance with Boosted GFlowNets, a method that sequentially trains an ensemble of GFlowNets, each optimizing a residual reward that compensates for the mass already captured by previous models. This residual principle reactivates learning signals in underexplored regions and, under mild assumptions, ensures a monotone non-degradation property: adding boosters cannot worsen the learned distribution and typically improves it. Empirically, Boosted GFlowNets achieve substantially better exploration and sample diversity on multimodal synthetic benchmarks and peptide design tasks, while preserving the stability and simplicity of standard trajectory-balance training.
format Preprint
id arxiv_https___arxiv_org_abs_2511_09677
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Boosted GFlowNets: Improving Exploration via Sequential Learning
Dall'Antonia, Pedro
da Silva, Tiago
de Souza, Daniel Augusto
Mattos, César Lincoln C.
Mesquita, Diego
Machine Learning
Generative Flow Networks (GFlowNets) are powerful samplers for compositional objects that, by design, sample proportionally to a given non-negative reward. Nonetheless, in practice, they often struggle to explore the reward landscape evenly: trajectories toward easy-to-reach regions dominate training, while hard-to-reach modes receive vanishing or uninformative gradients, leading to poor coverage of high-reward areas. We address this imbalance with Boosted GFlowNets, a method that sequentially trains an ensemble of GFlowNets, each optimizing a residual reward that compensates for the mass already captured by previous models. This residual principle reactivates learning signals in underexplored regions and, under mild assumptions, ensures a monotone non-degradation property: adding boosters cannot worsen the learned distribution and typically improves it. Empirically, Boosted GFlowNets achieve substantially better exploration and sample diversity on multimodal synthetic benchmarks and peptide design tasks, while preserving the stability and simplicity of standard trajectory-balance training.
title Boosted GFlowNets: Improving Exploration via Sequential Learning
topic Machine Learning
url https://arxiv.org/abs/2511.09677