Share your thoughts, 1 month free Claude Pro on usSee more
WorkDL logo mark

Routing by Reaching: Composition of Pre-trained GFlowNets for Multi-Objective Generation

About

Generative Flow Networks (GFlowNets) learn to sample diverse candidates in proportion to a reward function, making them well-suited for scientific discovery, where exploring multiple promising solutions is crucial. Further extending GFlowNets to multi-objective settings has attracted growing interest as real-world applications often involve multiple, conflicting objectives. However, existing approaches require joint training for each combination of objectives, meaning that any change in the objective set necessitates retraining from scratch. We propose a framework that composes pre-trained GFlowNets at inference time, enabling rapid adaptation without fine-tuning or retraining. Importantly, our framework is flexible, capable of handling diverse reward combinations ranging from linear scalarization to complex nonlinear operators, which are often handled separately in previous literature. We prove that our method exactly recovers the target distribution for linear scalarization, and quantify the approximation quality for nonlinear operators through a distortion factor. Experiments on a synthetic 2D grid and real-world molecule generation tasks demonstrate that our approach achieves performance comparable to baselines.

Seokwon Yoon, Youngbin Choi, Seunghyuk Cho, Seungbeom Lee, MoonJeong Park, Dongwoo Kim• 2026

Related benchmarks

TaskDatasetResultRank
Multi-Objective Molecule GenerationQM9
IGD+ (GAP-SA)0.023
5
Multi-Objective Molecule GenerationFragment-based Molecule Generation SEH-QED
Hypervolume0.768
5
Multi-Objective Molecule GenerationFragment-based Molecule Generation SA-QED
Hypervolume0.792
5
Multi-Objective Molecule GenerationFragment-based Molecule Generation (ALL)
Hypervolume0.679
5
Multi-Objective Molecule GenerationQM9 GAP-SA
Hypervolume1
5
Multi-Objective Molecule GenerationQM9 SA-QED
Hypervolume0.607
5
Multi-Objective Molecule GenerationQM9 ALL
Hypervolume0.665
5
Multi-Objective Molecule GenerationQM9
Pareto Count (GAP-SA)15
5
Multi-Objective Molecule GenerationFragment
IGD+ (SEH-SA)0.056
5
Multi-Objective Molecule GenerationFragment-based Molecule Generation SEH-SA
Hypervolume0.834
5
Showing 10 of 20 rows

Other info

Follow for update