arXiv Machine Learning

Accelerated Random-Sweep Gibbs Sampling for Gaussian Graphical Models via Dual Normal Factor Graphs

arXiv:2607. 28706v1 Announce Type: cross Abstract: We study the convergence properties of the random-sweep Gibbs sampler for Gaussian graphical models with a thin-membrane prior.

arXiv Machine Learning
Sep 3

A computational approach to maximum likelihood thresholds for colored Gaussian graphical models

The paper presents a computational framework for determining the maximum likelihood threshold (MLT) in colored Gaussian graphical models (CGGMs). It focuses on a geometric approach that seeks the minimal rank of a sample covariance matrix whose projection lies within the interior of the cone of sufficient statistics. The authors extend theoretical results from uncolored to colored models, introduce new symbolic algorithms, and demonstrate how topological data analysis (TDA) can alleviate computational challenges associated with traditional symbolic algebraic methods.

By Roser Homs, Olga Kuznetsova, Bernadette J. Stolz
arXiv Machine Learning
Sep 23

Transport-Coupled Bayesian Flows for Molecular Graph Generation

Transport-Coupled Bayesian Flows for Molecular Graph Generation (TopBF) addresses a key mismatch in existing diffusion models for molecular graph generation by eliminating the need for hard discretization during sampling. The framework generates graphs directly in continuous parameter distributions, learns graph topology via a Quasi-Wasserstein optimal‑transport coupling with geodesic costs, and enables property‑conditioned generation without retraining. Experiments on QM9 and ZINC250k show that TopBF achieves higher structural fidelity and more efficient generation compared to prior methods.

By Yida Xiong, Jiameng Chen, Kun Li, Hongzhi Zhang, Xiantao Cai, Lei Lei, Wenbin Hu
arXiv AI
Sep 25

Generalized Graph Variational Autoencoders: Bounded Divergences Control Posterior Collapse

The paper introduces the Generalized Graph Variational Autoencoder (GGVA), which replaces the Kullback–Leibler divergence in the standard variational graph autoencoder with any member of the Rényi–Tsallis family of order $q$. The authors show that for $q<1$ the Tsallis divergence is bounded, whereas the KL and Rényi divergences are unbounded, and that this boundedness can significantly increase the amount of posterior information retained—up to 49× more than the VGAE on several benchmark graphs. Experiments demonstrate that the GGVA’s retained information improves node classification performance, though it does not improve link‑prediction accuracy and only delays, rather than prevents, posterior collapse.

By Kleyton da Costa, Bernardo Modenesi, Ivan F. M. Menezes, Helio Lopes
arXiv Machine Learning
Jun 4

In-Context Graphical Inference

arXiv:2606. 05042v1 Announce Type: new Abstract: Marginal inference in discrete graphical models forces a choice between exactness and scalability: exact algorithms are intractable for high-treewidth graphs, while iterative approximations (Belief Propagation, variational methods) sacrifice convergence guarantees on frustrated topologies.

By Zehua Cheng, Wei Dai, Jiahao Sun