arXiv AI

Constraint-Preserving Flow Matching for Spectral Graph Generation

The paper introduces Laplacian-Constrained Stiefel Flow Matching (LaSFM), a method for generating graphs via their Laplacian eigenvalues and eigenvectors while preserving key structural constraints such as eigenvector orthonormality, positive eigenvalues, and the Laplacian nullspace condition. LaSFM formulates flow matching on a constrained Stiefel manifold and extends to property-guided generation, steering samples toward desired graph properties without violating constraints. Experiments show that LaSFM improves both spectral and graph-level metrics and better aligns generated graphs with target properties.

arXiv Machine Learning
Sep 30

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 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
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 17

Provable Guarantees for Spectral Structured Prediction

The paper presents provable guarantees for a spectral method that recovers binary node labels on signed graphs with edge‑flip noise. It provides graph‑structure‑agnostic bounds on approximate inference accuracy and maximum angle deviation, using matrix concentration and eigenvector perturbation techniques. The results connect to the Cheeger constant and are validated with synthetic experiments, marking the first theoretical analysis of this spectral approach.

By Violet Zheng, Jean Honorio