Cover Image

RetroGFN: Diverse and Feasible Retrosynthesis using GFlowNets

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Gaiński, Piotr, Koziarski, Michał, Maziarz, Krzysztof, Segler, Marwin, Tabor, Jacek, Śmieja, Marek
Format:	Preprint
Published:	2024
Subjects:	Machine Learning
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Re-evaluating Retrosynthesis Algorithms with Syntheseus
by: Maziarz, Krzysztof, et al.
Published: (2023)

RGFN: Synthesizable Molecular Generation Using GFlowNets
by: Koziarski, Michał, et al.
Published: (2024)

RetroBridge: Modeling Retrosynthesis with Markov Bridges
by: Igashov, Ilia, et al.
Published: (2023)

Retro-fallback: retrosynthetic planning in an uncertain world
by: Tripp, Austin, et al.
Published: (2023)

MetaGFN: Exploring Distant Modes with Adapted Metadynamics for Continuous GFlowNets
by: Phillips, Dominic, et al.
Published: (2024)

TacoGFN: Target-conditioned GFlowNet for Structure-based Drug Design
by: Shen, Tony, et al.
Published: (2023)

Cell Morphology-Guided Small Molecule Generation with GFlowNets
by: Lu, Stephen Zhewen, et al.
Published: (2024)

Towards DNA-Encoded Library Generation with GFlowNets
by: Koziarski, Michał, et al.
Published: (2024)

CounterFlowNet: From Minimal Changes to Meaningful Counterfactual Explanations
by: Furman, Oleksii, et al.
Published: (2026)

GFlowNet Foundations
by: Bengio, Yoshua, et al.
Published: (2021)

Streaming Bayes GFlowNets
by: da Silva, Tiago, et al.
Published: (2024)

Embarrassingly Parallel GFlowNets
by: da Silva, Tiago, et al.
Published: (2024)

Baking Symmetry into GFlowNets
by: Ma, George, et al.
Published: (2024)

Local Search GFlowNets
by: Kim, Minsu, et al.
Published: (2023)

Symmetry-Aware GFlowNets
by: Kim, Hohyun, et al.
Published: (2025)

VisTabNet: Adapting Vision Transformers for Tabular Data
by: Wydmański, Witold, et al.
Published: (2024)

Chemist-aligned retrosynthesis by ensembling diverse inductive bias models
by: Maziarz, Krzysztof, et al.
Published: (2024)

Order-Preserving GFlowNets
by: Chen, Yihang, et al.
Published: (2023)

Pessimistic Backward Policy for GFlowNets
by: Jang, Hyosoon, et al.
Published: (2024)

GFlowNet Training by Policy Gradients
by: Niu, Puhua, et al.
Published: (2024)

Stable GFlowNets with Probabilistic Guarantees
by: Lei, Zengxiang, et al.
Published: (2026)

Global-Order GFlowNets
by: Pastor-Pérez, Lluís, et al.
Published: (2025)

GFlowNet Pretraining with Inexpensive Rewards
by: Pandey, Mohit, et al.
Published: (2024)

Distributional GFlowNets with Quantile Flows
by: Zhang, Dinghuai, et al.
Published: (2023)

Multi-Fidelity Active Learning with GFlowNets
by: Hernandez-Garcia, Alex, et al.
Published: (2023)

GFlowNet Fine-tuning for Diverse Correct Solutions in Mathematical Reasoning Tasks
by: Takase, Ryoichi, et al.
Published: (2024)

ZEUS: Zero-shot Embeddings for Unsupervised Separation of Tabular Data
by: Marszałek, Patryk, et al.
Published: (2025)

Conceptualizing Embeddings: Sparse Disentanglement for Vision-Language Models
by: Kubaty, Piotr, et al.
Published: (2026)

Revisiting Non-Acyclic GFlowNets in Discrete Environments
by: Morozov, Nikita, et al.
Published: (2025)

torchgfn: A PyTorch GFlowNet library
by: Viviano, Joseph D., et al.
Published: (2023)

Maximum entropy GFlowNets with soft Q-learning
by: Mohammadpour, Sobhan, et al.
Published: (2023)

Learning to Scale Logits for Temperature-Conditional GFlowNets
by: Kim, Minsu, et al.
Published: (2023)

SONG: Self-Organizing Neural Graphs
by: Struski, Łukasz, et al.
Published: (2021)

GFlowNets for Hamiltonian decomposition in groups of compatible operators
by: Huidobro-Meezs, Isaac L., et al.
Published: (2024)

Improving GFlowNets with Monte Carlo Tree Search
by: Morozov, Nikita, et al.
Published: (2024)

Torsional-GFN: a conditional conformation generator for small molecules
by: Volokhova, Alexandra, et al.
Published: (2025)

Boosted GFlowNets: Improving Exploration via Sequential Learning
by: Dall'Antonia, Pedro, et al.
Published: (2025)

Secrets of GFlowNets' Learning Behavior: A Theoretical Study
by: Yu, Tianshu
Published: (2025)

Efficient Diversity-Preserving Diffusion Alignment via Gradient-Informed GFlowNets
by: Liu, Zhen, et al.
Published: (2024)

Stop Marginalizing My Dreams: Model Inversion via Laplace Kernel for Continual Learning
by: Krukowski, Patryk, et al.
Published: (2026)