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Unrestrained Simplex Denoising for Discrete Data. A Non-Markovian Approach Applied to Graph Generation

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Denoising models such as Diffusion or Flow Matching have recently advanced generative modeling for discrete structures, yet most approaches either operate directly in the discrete state space, causing abrupt state changes. We introduce simplex denoising, a simple yet effective generative framework that operates on the probability simplex. The key idea is a non-Markovian noising scheme in which, for a given clean data point, noisy representations at different times are conditionally independent. While preserving the theoretical guarantees of denoising-based generative models, our method removes unnecessary constraints, thereby improving performance and simplifying the formulation. Empirically, \emph{unrestrained simplex denoising} surpasses strong discrete diffusion and flow-matching baselines across synthetic and real-world graph benchmarks. These results highlight the probability simplex as an effective framework for discrete generative modeling.

Yoann Boget, Alexandros Kalousis• 2026

Related benchmarks

TaskDatasetResultRank
Graph generationENZYMES
Clustering0.052
45
Molecule GenerationZINC250K
Validity99.98
32
Synthetic Graph GenerationPlanar Dataset
Degree Statistic0.36
27
Molecule GenerationQM9H
Validity (%)98.87
21
Graph generationSBM
Degree1.74
18
Graph generationPlanar
Validity Rate100
10
Graph generationStochastic Block Model
Validity Score78.5
10
Molecular GenerationZINC250K
Validity99.98
9
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