arXiv Machine Learning

Prior-Informed Flow Matching for Graph Reconstruction

arXiv:2601. 22107v2 Announce Type: replace Abstract: We introduce \textit{Prior-Informed Flow Matching (PIFM)}, a conditional flow model for graph reconstruction.

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
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
4d ago

Alignment Matters Inside and Out in Equivariant Graph Flow Matching

The paper investigates how alignment—both outer (choosing which graphs to pair) and inner (aligning node representatives)—affects permutation-equivariant graph flow matching. It connects inner alignment to transport on the graph quotient space and shows that quotient couplings can be lifted to aligned representatives, while symmetrization yields equivariant flow‑matching minimizers. Experiments on continuous graph and molecular generation demonstrate that appropriate alignment can simplify trajectories and improve few‑step generation, though the benefits vary with the type of alignment and computational budget.

By Moritz Piening, Christian Wald
arXiv Machine Learning
Aug 20

Enhancing Distance-Based Graph Autoencoders with Structural Penalties for Dynamic Graph Embedding

The paper introduces three distance‑based graph autoencoder variants that add structural penalties to the reconstruction loss. All models use a two‑layer Graph Convolutional Network encoder and a Euclidean‑distance decoder, with two node‑level regularizers: a hub penalty based on degree centrality and a penalty based on Natural Community Local Intrinsic Dimensionality (NC‑LID). Experiments on multiple dynamic graph datasets show that incorporating NC‑LID regularization consistently improves reconstruction performance compared to baselines without structural regularization and to the hub‑aware variant.

By Aleksandar Tom\v{c}i\'c, Milo\v{s} Savi\'c, Milo\v{s} Radovanovi\'c