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Understanding Reinforcement Learning-Based Fine-Tuning of Diffusion Models: A Tutorial and Review

(2407.13734)
Published Jul 18, 2024 in cs.LG , cs.AI , q-bio.QM , and stat.ML

Abstract

This tutorial provides a comprehensive survey of methods for fine-tuning diffusion models to optimize downstream reward functions. While diffusion models are widely known to provide excellent generative modeling capability, practical applications in domains such as biology require generating samples that maximize some desired metric (e.g., translation efficiency in RNA, docking score in molecules, stability in protein). In these cases, the diffusion model can be optimized not only to generate realistic samples but also to explicitly maximize the measure of interest. Such methods are based on concepts from reinforcement learning (RL). We explain the application of various RL algorithms, including PPO, differentiable optimization, reward-weighted MLE, value-weighted sampling, and path consistency learning, tailored specifically for fine-tuning diffusion models. We aim to explore fundamental aspects such as the strengths and limitations of different RL-based fine-tuning algorithms across various scenarios, the benefits of RL-based fine-tuning compared to non-RL-based approaches, and the formal objectives of RL-based fine-tuning (target distributions). Additionally, we aim to examine their connections with related topics such as classifier guidance, Gflownets, flow-based diffusion models, path integral control theory, and sampling from unnormalized distributions such as MCMC. The code of this tutorial is available at https://github.com/masa-ue/RLfinetuning_Diffusion_Bioseq

RL-based fine-tuning examples optimizing pre-trained diffusion models for maximum downstream rewards.

Overview

  • The paper provides a comprehensive tutorial on using reinforcement learning (RL) to fine-tune diffusion models, making them capable of optimizing specific objectives and reward functions.

  • It discusses various RL algorithms for fine-tuning, categorized into non-distribution-constrained and distribution-constrained approaches, each with its advantages and limitations.

  • Connections to related topics such as classifier guidance and flow-based diffusion models are explored, highlighting how RL enhances the capabilities of diffusion models for targeted applications.

Understanding Reinforcement Learning-Based Fine-Tuning of Diffusion Models

The paper by Uehara et al. provides a comprehensive tutorial on methods for fine-tuning diffusion models through reinforcement learning (RL) to optimize downstream reward functions. While diffusion models have garnered reputation for their generative capabilities across varied domains, tuning these models to maximize specific objectives requires more advanced techniques. This paper delineates how various RL algorithms can be tailored for this specific fine-tuning problem and examines the advantages, limitations, and connections of these methods with related topics.

Overview of Reinforcement Learning for Fine-Tuning

Fine-tuning diffusion models via RL can be naturally framed within the context of entropy-regularized MDPs. Each denoising step in a diffusion model is akin to a decision-making process in RL. The authors formalize this by defining an MDP where the state and action spaces correspond to the input space, and the policy at each time step corresponds to the denoising process. By formulating fine-tuning as the problem of finding a set of optimal denoising policies, the paper sets the stage for exploring solutions to this RL problem using various algorithms.

RL-Based Fine-Tuning Algorithms

The paper categorizes fine-tuning algorithms into two main types: non-distribution-constrained approaches and distribution-constrained approaches.

Non-Distribution-Constrained Approaches:

  1. Soft Proximal Policy Optimization (PPO): This algorithm is noted for its stability and ease of implementation. It does not necessitate the learning of value functions, making it suitable even when accurate reward feedback is not differentiable.
  2. Direct Reward Backpropagation: Preferred for its computational efficiency, this approach propagates gradients from reward functions directly to update policies. However, it requires differentiable reward functions, which may not always be available.

Distribution-Constrained Approaches:

  1. Reward-Weighted MLE: This method aims to preserve pre-trained models' characteristics while seeking to optimize reward functions. It uses a weighted maximum likelihood estimation to update policies iteratively.
  2. Value-Weighted Sampling: Employing gradients of value functions during inference, this method samples from the target distribution without fine-tuning the models explicitly. This technique aligns closely with classifier guidance.
  3. Path Consistency Learning: This approach trains models by aiming to satisfy a path consistency equation, which characterizes soft-value functions recursively.

Scenarios for Fine-Tuning

The paper also discusses different scenarios based on the availability and differentiability of reward functions:

  1. Known, Differentiable Reward Functions: In cases where reward functions are accurately known and differentiable, direct reward backpropagation is recommended for its computational efficiency.
  2. Black-Box Reward Feedback: When dealing with non-differentiable rewards, PPO or reward-weighted MLE are more suitable as they can update policies without needing to learn differentiable reward functions.
  3. Unknown Reward Functions: When rewards must be learned from data, feedback efficiency and constraining divergence from pre-trained models become crucial. Here, different techniques to handle this scenario are discussed, including conservative strategies in offline settings and exploratory steps in online settings.

Connections with Related Topics

Classifier Guidance: Value-weighted sampling is akin to classifier guidance, often used for conditional generation in diffusion models. By framing conditioning on rewards as an RL problem, this approach leverages various RL algorithms for conditional generation tasks.

Flow-Based Diffusion Models: The paper highlights a deep connection between flow-based models and fine-tuning of diffusion models. Both aim to minimize a form of KL divergence, but fine-tuning focuses on inverse KL divergence due to the unavailability of the target distribution.

Sampling from Unnormalized Distributions: This problem, often tackled with MCMC methods, has parallels with fine-tuning diffusion models where the target distribution is unnormalized. RL-based approaches provide a viable alternative to MCMC by constructing generative models that ease sampling.

Conclusions and Future Directions

The paper underscores that fine-tuning diffusion models through RL represents a programmatic advance in optimizing these generative models for specific objectives. This methodological framework extends the utility of diffusion models beyond their generative capacity, enabling their application in more targeted, reward-driven scenarios. Future developments could refine these methods further, perhaps integrating more advanced RL techniques and exploring other areas such as unsupervised or semi-supervised learning in fine-tuning diffusion models.

By mapping out the landscape of RL-based fine-tuning and its connections to related fields, this paper provides a valuable resource for researchers looking to enhance the applicability and performance of diffusion models in complex, reward-driven environments.

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