arXiv Machine Learning

PhyloGFN: Phylogenetic inference with generative flow networks

arXiv Machine Learning
Aug 31

Joint Bayesian Inference of Graphical Structure and Parameters with a Single Generative Flow Network

The paper introduces JSP-GFN, a Generative Flow Network that jointly infers the structure and parameters of a Bayesian Network. It sequentially generates a directed acyclic graph edge by edge and then samples the corresponding conditional probability parameters once the full structure is known. Experiments on simulated and real data show that JSP‑GFN accurately approximates the joint posterior and outperforms existing methods.

By Tristan Deleu, Mizu Nishikawa-Toomey, Jithendaraa Subramanian, Esmeralda S. Whitammer, Laurent Charlin, Yoshua Bengio
arXiv Machine Learning
Aug 7

Phylogenetic Tree Inference with Tropical Axial Attention

arXiv:2605. 13894v2 Announce Type: replace-cross Abstract: In this work, we introduce a Tropical Axial Attention neural reasoning architecture that replaces vanilla softmax dot-product attention with max-plus operators, inducing a piecewise-linear structure aligned with dynamic programming formulations.

By Chris Teska, Kurt Pasque, Ruriko Yoshida, Baran Hashemi
arXiv Machine Learning
Sep 24

Variational Bayesian Flow Network for Graph Generation

The paper introduces Variational Bayesian Flow Network (VBFN), a graph generation model that lifts Bayesian updates to a joint Gaussian belief family with structured precisions, enabling coupled node and edge updates in a single fusion step. By constructing sample‑agnostic sparse precisions from a representation‑induced dependency graph, VBFN avoids label leakage while enforcing node‑edge consistency. Experiments on synthetic and molecular graph datasets show that VBFN improves fidelity and diversity over baseline methods.

By Yida Xiong, Jiameng Chen, Xiuwen Gong, Jia Wu, Shirui Pan, Wenbin Hu
arXiv Machine Learning
Sep 11

Particle GFlowNets: Rethinking Generative Marginalization Models

The paper introduces Particle GFlowNets, showing that Generative Marginalization Models (MaMs) are equivalent to Generative Flow Networks. It extends MaMs to non‑autoregressive sampling and proposes an automatic full‑state rejuvenation criterion based on the Gelman‑Rubin statistic to accelerate learning. Experiments demonstrate significant training speedups in large combinatorial spaces.

By Tiago da Silva, Diego Mesquita, Salem Lahlou
arXiv Machine Learning
Aug 28

Gromov-Monge Flow Matching for Equivariant Graph Generation

The paper introduces Gromov-Monge Flow Matching, a method that incorporates permutation-equivariance into generative graph models by aligning graph pairs up to node relabeling using the Gromov–Monge distance. It shows theoretically that quotient couplings can be lifted to aligned representatives without extra cost and that symmetrization yields equivariant flow-matching minimizers, even for categorical endpoints. Practically, the authors build minibatch couplings with Gromov–Wasserstein relaxations and optional outer assignments, improving sample quality in continuous graph and categorical molecular generation while remaining compatible with standard equivariant architectures.

By Moritz Piening, Christian Wald