Pessimistic Backward Policy for GFlowNets
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Abstract (arXiv)
This paper studies Generative Flow Networks (GFlowNets), which learn to sample objects proportionally to a given reward function through the trajectory of state transitions. In this work, we observe that GFlowNets tend to under-exploit the high-reward objects due to training on insufficient number of trajectories, which may lead to a large gap between the estimated flow and the (known) reward value. In response to this challenge, we propose a pessimistic backward policy for GFlowNets (PBP-GFN), which maximizes the observed flow to align closely with the true reward for the object. We extensively evaluate PBP-GFN across eight benchmarks, including hyper-grid environment, bag generation, structured set generation, molecular generation, and four RNA sequence generation tasks. In particular, PBP-GFN enhances the discovery of high-reward objects, maintains the diversity of the objects, and consistently outperforms existing methods.
Key facts. Cited by 13 papers in the map (data through 7 Oct 2026). Builds on 31 of its 41 references that are in the map. First posted on arXiv 25 May 2024.
Builds on
31 of 41 references.
References · 31
- 2018How Powerful are Graph Neural Networks?cited by 4,355
- 2016Asynchronous Methods for Deep Reinforcement Learningcited by 2,218
- 2021Flow Network based Generative Models for Non-Iterative Diverse Candidate Generationcited by 384
- 2021GFlowNet Foundationscited by 286
- 2022Trajectory balance: Improved credit assignment in GFlowNetscited by 244
- 2022Biological Sequence Design with GFlowNetscited by 172
- 2022Bayesian Structure Learning with Generative Flow Networkscited by 153
- 2022Learning GFlowNets from partial episodes for improved convergence and stabilitycited by 129
- 2022Generative Flow Networks for Discrete Probabilistic Modelingcited by 113
- 2022GFlowNets and variational inferencecited by 103
- 2022Multi-Objective GFlowNetscited by 100
- 2023A theory of continuous generative flow networkscited by 98
19 more
- 2022Design-Bench: Benchmarks for Data-Driven Offline Model-Based Optimizationcited by 96
- 2023Amortizing intractable inference in large language modelscited by 94
- 2023Better Training of GFlowNets with Local Credit and Incomplete Trajectoriescited by 83
- 2023Towards Understanding and Improving GFlowNet Trainingcited by 74
- 2023Robust Scheduling with GFlowNetscited by 67
- 2020AdaLead: A simple and robust adaptive greedy search algorithm for sequence designcited by 63
- 2023Generative Flow Networks as Entropy-Regularized RLcited by 60
- 2023Diffusion Generative Flow Samplers: Improving learning signals through partial trajectory optimizationcited by 57
- 2024Ant Colony Sampling with GFlowNets for Combinatorial Optimizationcited by 53
- 2022Generative Augmented Flow Networkscited by 48
- 2023Sample-efficient Multi-objective Molecular Optimization with GFlowNetscited by 48
- 2023Local Search GFlowNetscited by 45
- 2024Discrete Probabilistic Inference as Control in Multi-path Environmentscited by 40
- 2023Thompson sampling for improved exploration in GFlowNetscited by 31
- 2023Maximum entropy GFlowNets with soft Q-learningcited by 30
- 2023Learning to Scale Logits for Temperature-Conditional GFlowNetscited by 26
- 2023Learning Energy Decompositions for Partial Inference of GFlowNetscited by 24
- 2024QGFN: Controllable Greediness with Action Valuescited by 18
- 2023Order-Preserving GFlowNetscited by 13
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Citing papers per year: 2024: 3; 2025: 4; 2026: 6.
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- 2024Adaptive teachers for amortized samplerscited by 23
- 2024Optimizing Backward Policies in GFlowNets via Trajectory Likelihood Maximizationcited by 12
- 2024Beyond Squared Error: Exploring Loss Design for Enhanced Training of Generative Flow Networkscited by 9
- 2025Revisiting Non-Acyclic GFlowNets in Discrete Environmentscited by 8
- 2025Adaptive Destruction Processes for Diffusion Samplerscited by 6
- 2025Scalable and Cost-Efficient de Novo Template-Based Molecular Generationcited by 5
- 2026Learning Shortest Paths with Generative Flow Networkscited by 2
- 2026Evaluating GFlowNet from partial episodes for stable and flexible policy-based trainingcited by 1
- 2025Beyond the Proxy: Trajectory-Distilled Guidance for Offline GFlowNet Trainingcited by 0
- 2026Flow of Spans: Generalizing Language Models to Dynamic Span-Vocabulary via GFlowNetscited by 0
- 2026A Systematic Evaluation of Co-folding Model Representations for Small-Molecule Learningcited by 0
- 2026Stable GFlowNets with TV Monitoring and Probabilistic Guaranteescited by 0
1 more
- 2026Your GFlowNet Secretly Learns an Optimal Transport Plancited by 0
- 2026Your GFlowNet Secretly Learns an Optimal Transport Plan4 Jun 2026
- 2026Stable GFlowNets with TV Monitoring and Probabilistic Guarantees3 May 2026
- 2026Learning Shortest Paths with Generative Flow Networks2 Mar 2026
- 2026Evaluating GFlowNet from partial episodes for stable and flexible policy-based training1 Mar 2026
- 2026Flow of Spans: Generalizing Language Models to Dynamic Span-Vocabulary via GFlowNets11 Feb 2026
- 2026A Systematic Evaluation of Co-folding Model Representations for Small-Molecule Learning2 Feb 2026
- 2025Scalable and Cost-Efficient de Novo Template-Based Molecular Generation10 Jun 2025
- 2025Adaptive Destruction Processes for Diffusion Samplers2 Jun 2025
- 2025Beyond the Proxy: Trajectory-Distilled Guidance for Offline GFlowNet Training26 May 2025
- 2025Revisiting Non-Acyclic GFlowNets in Discrete Environments11 Feb 2025
- 2024Optimizing Backward Policies in GFlowNets via Trajectory Likelihood Maximization20 Oct 2024
- 2024Beyond Squared Error: Exploring Loss Design for Enhanced Training of Generative Flow Networks3 Oct 2024
1 more
- 2024Adaptive teachers for amortized samplers2 Oct 2024
- 2025Adaptive Destruction Processes for Diffusion Samplerscited by 6
- 2025Adaptive Destruction Processes for Diffusion Samplers2 Jun 2025
- 2024Adaptive teachers for amortized samplerscited by 23
- 2024Optimizing Backward Policies in GFlowNets via Trajectory Likelihood Maximizationcited by 12
- 2024Beyond Squared Error: Exploring Loss Design for Enhanced Training of Generative Flow Networkscited by 9
- 2025Revisiting Non-Acyclic GFlowNets in Discrete Environmentscited by 8
- 2025Scalable and Cost-Efficient de Novo Template-Based Molecular Generationcited by 5
- 2026Learning Shortest Paths with Generative Flow Networkscited by 2
- 2026Evaluating GFlowNet from partial episodes for stable and flexible policy-based trainingcited by 1
- 2025Beyond the Proxy: Trajectory-Distilled Guidance for Offline GFlowNet Trainingcited by 0
- 2026Flow of Spans: Generalizing Language Models to Dynamic Span-Vocabulary via GFlowNetscited by 0
- 2026A Systematic Evaluation of Co-folding Model Representations for Small-Molecule Learningcited by 0
- 2026Stable GFlowNets with TV Monitoring and Probabilistic Guaranteescited by 0
- 2026Your GFlowNet Secretly Learns an Optimal Transport Plancited by 0
- 2026Your GFlowNet Secretly Learns an Optimal Transport Plan4 Jun 2026
- 2026Stable GFlowNets with TV Monitoring and Probabilistic Guarantees3 May 2026
- 2026Learning Shortest Paths with Generative Flow Networks2 Mar 2026
- 2026Evaluating GFlowNet from partial episodes for stable and flexible policy-based training1 Mar 2026
- 2026Flow of Spans: Generalizing Language Models to Dynamic Span-Vocabulary via GFlowNets11 Feb 2026
- 2026A Systematic Evaluation of Co-folding Model Representations for Small-Molecule Learning2 Feb 2026
- 2025Scalable and Cost-Efficient de Novo Template-Based Molecular Generation10 Jun 2025
- 2025Beyond the Proxy: Trajectory-Distilled Guidance for Offline GFlowNet Training26 May 2025
- 2025Revisiting Non-Acyclic GFlowNets in Discrete Environments11 Feb 2025
- 2024Optimizing Backward Policies in GFlowNets via Trajectory Likelihood Maximization20 Oct 2024
- 2024Beyond Squared Error: Exploring Loss Design for Enhanced Training of Generative Flow Networks3 Oct 2024
- 2024Adaptive teachers for amortized samplers2 Oct 2024