arXiv Machine Learning
Aug 31

Trajectory balance: Improved credit assignment in GFlowNets

The paper introduces a new learning objective called trajectory balance for Generative Flow Networks (GFlowNets), aiming to improve credit assignment across long action sequences. It demonstrates that minimizing this objective yields a policy that samples exactly from the target distribution. Experiments on four domains show that trajectory balance enhances convergence, sample diversity, and robustness to long sequences and large action spaces.

By Esmeralda S. Whitammer, Moksh Jain, Emmanuel Bengio, Chen Sun, Yoshua Bengio
arXiv Machine Learning
Jun 10

Synthesizable Molecular Generation via Soft-constrained GFlowNets with Rich Chemical Priors

arXiv:2602. 04119v2 Announce Type: replace Abstract: The application of generative models for experimental drug discovery campaigns is severely limited by the difficulty of designing molecules de novo that can be synthesized in practice.

By Hyeonah Kim, Minsu Kim, Celine Roget, Dionessa Biton, Louis Vaillancourt, Yves V. Brun, Yoshua Bengio, Alex Hernandez-Garcia
arXiv Machine Learning
Jul 21

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

arXiv:2602. 21565v3 Announce Type: replace Abstract: 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.

By Seokwon Yoon, Youngbin Choi, Seunghyuk Cho, Seungbeom Lee, MoonJeong Park, Dongwoo Kim
arXiv Machine Learning
3d ago

CocoRNA: Collective RNA Design with Cooperative Multi-agent Reinforcement Learning

CocoRNA is a cooperative multi-agent reinforcement learning framework that tackles RNA inverse design by breaking the problem into smaller sub‑problems solved collaboratively by multiple agents. A centralized critic provides global structural guidance during training, allowing the agents to jointly optimize their design strategies. Experiments on the Rfam dataset show that CocoRNA outperforms state‑of‑the‑art methods in both success rate and design speed, and additional tests on other biological sequence design tasks demonstrate its broad effectiveness.

By Tianmeng Hu, Biao Luo, Ke Li