DisCo-Diff: Enhancing Continuous Diffusion Models with Discrete Latents
About
Diffusion models (DMs) have revolutionized generative learning. They utilize a diffusion process to encode data into a simple Gaussian distribution. However, encoding a complex, potentially multimodal data distribution into a single continuous Gaussian distribution arguably represents an unnecessarily challenging learning problem. We propose Discrete-Continuous Latent Variable Diffusion Models (DisCo-Diff) to simplify this task by introducing complementary discrete latent variables. We augment DMs with learnable discrete latents, inferred with an encoder, and train DM and encoder end-to-end. DisCo-Diff does not rely on pre-trained networks, making the framework universally applicable. The discrete latents significantly simplify learning the DM's complex noise-to-data mapping by reducing the curvature of the DM's generative ODE. An additional autoregressive transformer models the distribution of the discrete latents, a simple step because DisCo-Diff requires only few discrete variables with small codebooks. We validate DisCo-Diff on toy data, several image synthesis tasks as well as molecular docking, and find that introducing discrete latents consistently improves model performance. For example, DisCo-Diff achieves state-of-the-art FID scores on class-conditioned ImageNet-64/128 datasets with ODE sampler.
Related benchmarks
| Task | Dataset | Result | Rank | |
|---|---|---|---|---|
| Image Generation | ImageNet 64x64 (train val) | FID1.22 | 83 | |
| Molecular Docking | PDBBind (unseen receptors) | Top-1 RMSD < 2Å (%)18.5 | 17 | |
| Image Generation | ImageNet 128x128 (val) | FID1.73 | 15 | |
| Image Generation | ImageNet 128x128 (train val) | FID1.73 | 8 | |
| Molecular Docking | PDBBind Full (test) | Top-1 Success Rate (2Å)35.4 | 8 |