Flow Density Control: Generative Optimization Beyond Entropy-Regularized Fine-Tuning
Riccardo De Santi, Marin Vlastelica, Ya-Ping Hsieh, Zebang Shen, Niao He, Andreas Krause

TL;DR
This paper introduces Flow Density Control (FDC), a versatile fine-tuning method for large generative models that optimizes complex, task-specific objectives while effectively preserving prior knowledge, demonstrated across various applications.
Contribution
FDC reduces complex optimization problems to simpler fine-tuning tasks with convergence guarantees, enabling advanced utility optimization beyond traditional reward maximization.
Findings
Successfully steers models for diverse objectives
Outperforms existing fine-tuning methods in experiments
Applicable to text-to-image and molecular design tasks
Abstract
Adapting large-scale foundation flow and diffusion generative models to optimize task-specific objectives while preserving prior information is crucial for real-world applications such as molecular design, protein docking, and creative image generation. Existing principled fine-tuning methods aim to maximize the expected reward of generated samples, while retaining knowledge from the pre-trained model via KL-divergence regularization. In this work, we tackle the significantly more general problem of optimizing general utilities beyond average rewards, including risk-averse and novelty-seeking reward maximization, diversity measures for exploration, and experiment design objectives among others. Likewise, we consider more general ways to preserve prior information beyond KL-divergence, such as optimal transport distances and Renyi divergences. To this end, we introduce Flow Density…
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Taxonomy
TopicsComputational Drug Discovery Methods · Innovative Microfluidic and Catalytic Techniques Innovation · Machine Learning in Materials Science
