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Bridging Model-Based Optimization and Generative Modeling via Conservative Fine-Tuning of Diffusion Models

NeurIPS 2024 · Image generation › Autoregressive and latent generation · approach: Synthetic training data from generators · 4 citations (OpenAlex)

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Proposes BRAID, a doubly conservative RL-style fine-tuning of pre-trained diffusion models that optimizes an uncertainty-penalized reward model plus a KL penalty to design sequences and images from offline data.

Problem

Offline model-based optimization with pre-trained diffusion models suffers from overoptimization of a learned reward in out-of-distribution regions and generation of invalid designs.

Approach

Fine-tune a pre-trained diffusion model toward exp((r_hat - g_hat)/alpha) p_pre, i.e., a pessimistic uncertainty-penalized reward combined with KL regularization to the pre-trained model, optimized by direct backpropagation; theory gives regret bounds.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Use conservative reward modeling instead of standard reward modeling during diffusion fine-tuningBRAID vs STRL · Enhancers and 5'UTRstrue rewardHelped
Fine-tune the pretrained diffusion model with BRAID rather than conditioning on high-reward classesBRAID vs DDOM and Offline Guidance · Enhancers and 5'UTRstrue rewardHelped
Use BRAID rather than standard RL fine-tuningStable Diffusion v1.5 image generation · Image generationLLaVA-adjusted true rewardHelped
Add a conservative uncertainty penalty to standard reward optimizationDiffusion fine-tuning · Image generationprompt-aligned rewardHelped
Continue standard RL fine-tuning to STRL-ckpt-4STRL · Image generation (LLaVA-adjusted evaluation)mean reward: $6.870 $ -> $0.200 $Hurt
Continue standard RL fine-tuning to STRL-ckpt-4STRL · Image generation (LLaVA prompt alignment)invalid samples / total samples: $0/400$ -> $389/400$Hurt
Vary the bonus pessimism strength C (ablation)BRAID-Bonus · Enhancers and 5'UTRstrue rewardNo clear effect
Vary the bonus parameter C1 while keeping λ=0.1 (ablation)BRAID-Bonus · Image generationLLaVA-adjusted true rewardNo clear effect

Surprising findings

Limitations

Experimental setup

Datasets: Enhancers MPRA dataset 5'UTR MPRA dataset AVA

Benchmarks: Enhancers oracle (Enformer-based) UTR oracle LAION Aesthetic Predictor V2 with LLaVA-aided prompt check

Metrics: true reward histogram of generated samples mean reward fraction of invalid images

Baselines: Standard RL (STRL) DDOM Offline Guidance

Builds on: DDPM DDOM Stable Diffusion soft entropy-regularized MDP

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