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Boosted GFlowNets: Improving Exploration via Sequential Learning

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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.

Pedro Dall'Antonia, Tiago da Silva, Daniel Augusto de Souza, C\'esar Lincoln C. Mattos, Diego Mesquita• 2025

Related benchmarks

TaskDatasetResultRank
Multimodal Distribution Matching8-Gaussian synthetic landscape
Last-epoch L1 Distance9.80e-4
18
Multimodal Distribution MatchingRings synthetic landscape
L1 Distance (Last Epoch)2.60e-4
18
Multimodal Distribution MatchingMoons synthetic landscape
L1 Distance (Last Epoch)1.90e-4
18
Antimicrobial Peptide DiscoveryAntimicrobial Peptide (AMP) Discovery epsilon=0.0
Unique Predicted-Resistant Peptides3.41e+3
5
Antimicrobial Peptide DiscoveryAntimicrobial Peptide (AMP) Discovery epsilon=0.1
Unique Predicted-Resistant Peptides1.14e+5
5
Antimicrobial Peptide DiscoveryAntimicrobial Peptide (AMP) Discovery epsilon=0.2
Unique predicted-resistant peptides6.33e+4
5
Antimicrobial Peptide DiscoveryAntimicrobial Peptide (AMP) Discovery epsilon=0.3
Unique Predicted-Resistant Peptides Count6.03e+4
5
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