Research map / Graph learning / Graph self-supervised learning
DiGress: Discrete Denoising diffusion for graph generation
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Measured effects reported in the paper
| What was changed | Where | Measured | Effect |
|---|---|---|---|
| replace Gaussian graph diffusion with discrete categorical diffusion (ablation) | DiGress versus ConGress · GuacaMol | FCD: 0.0 -> 68.0 | Helped |
| replace Gaussian graph diffusion with discrete categorical diffusion (ablation) | DiGress versus ConGress · QM9 | Training time (h): 7.2 -> 1.0 | Helped |
| use marginal transitions instead of uniform transitions (ablation) | DiGress · QM9 explicit hydrogens | Valid: $89.8 \spm{1.2}$ -> $92.3 \spm{2.5}$ | Helped |
| use marginal transitions instead of uniform transitions (ablation) | DiGress · QM9 explicit hydrogens | Mol stable: $70.5 \spm{2.1}$ -> $66.8 \spm{11.8}$ | Hurt |
| add spectral and structural features to marginal transitions (ablation) | DiGress · QM9 explicit hydrogens | Valid: $92.3 \spm{2.5}$ -> $\bm{95.4} \spm{1.1}$ | Helped |
| add spectral and structural features to marginal transitions (ablation) | DiGress · QM9 explicit hydrogens | Mol stable: $66.8 \spm{11.8}$ -> $\bm{79.8} \spm{5.6}$ | Helped |
| add marginal transitions and auxiliary features (ablation) | DiGress · QM9 explicit hydrogens | Unique: $97.8 \spm{0.2}$ -> $97.6 \spm{0.4}$ | No clear effect |
| use DiGress rather than SPECTRE | graph generation · Planar graphs | V.U.N.: 25\% -> 75\% | Helped |
| use DiGress rather than ConGress | graph generation · SBM | V.U.N.: 0\% -> 74\% | Helped |
| use DiGress rather than GraphINVENT | one-shot molecule generation · MOSES | FCD: 1.22 -> 1.19 | Helped |
| use DiGress rather than ConGress | one-shot molecule generation · GuacaMol | Valid: 0.1 -> 85.2 | Helped |
Closest papers by meaning
- Simple and Critical Iterative Denoising: A Recasting of Discrete Diffusion in Graph Generation (ICML 2025 · similarity 0.90)
- Graph Diffusion that can Insert and Delete (NeurIPS 2025 · similarity 0.90)
- Graph Diffusion Transformers for Multi-Conditional Molecular Generation (NeurIPS 2024 · similarity 0.89)
- Graph Generation with Diffusion Mixture (ICML 2024 · similarity 0.89)
- Is Noise Conditioning Necessary? A Unified Theory of Unconditional Graph Diffusion Models (NeurIPS 2025 · similarity 0.88)
- When Edge Independence Fails: Joint Graph Diffusion with Latent Sociability Priors (NeurIPS 2026 · similarity 0.88)
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