Flow Density Control: Generative Optimization Beyond Entropy-Regularized Fine-Tuning
Riccardo De Santi, Marin Vlastelica, Ya-Ping Hsieh, Zebang Shen, Niao He, Andreas Krause
Abstract
Adapting large-scale foundational 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 Rényi divergences. To this end, we introduce Flow Density Control (FDC), a simple algorithm that reduces this complex problem to a specific sequence of simpler fine-tuning tasks, each solvable via scalable established methods. We derive convergence guarantees for the proposed scheme under realistic assumptions by leveraging recent understanding of mirror flows. Finally, we validate our method on illustrative settings, text-to-image, and molecular design tasks, showing that it can steer pre-trained generative models to optimize objectives and solve practically relevant tasks beyond the reach of current fine-tuning schemes.
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Cited by top-tier papers7
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- Constrained Flow Optimization via Sequential Fine-Tuning for Molecular DesignSven Gutjahr, Riccardo De Santi, Luca Schaufelberger, Kjell Jorner et al.ICML 2026 · 3 citations
- Conformal Policy ControlDrew Prinster, Clara Fannjiang, Ji Won Park, Kyunghyun Cho et al.ICML 2026 · 3 citations
- A Unified Density Operator View of Flow Control and MergingRiccardo De Santi, Malte Franke, Ya-Ping Hsieh, Andreas KrauseICML 2026 · 2 citations
Builds on24
- Denoising Diffusion Probabilistic ModelsJonathan Ho, Ajay Jain, Pieter AbbeelNeurIPS 2020 · 35,902 citations
- High-Resolution Image Synthesis with Latent Diffusion ModelsRobin Rombach, Andreas Blattmann, Dominik Lorenz, Patrick Esser et al.CVPR 2022 · 13,123 citations
- CLIPScore: A Reference-free Evaluation Metric for Image CaptioningJack Hessel, Ari Holtzman, Maxwell Forbes, Ronan Le Bras et al.EMNLP 2021 · 937 citations
- Equivariant Diffusion for Molecule Generation in 3DEmiel Hoogeboom, Victor Garcia Satorras, Clément Vignac, Max WellingICML 2022 · 865 citations
- DiffDock: Diffusion Steps, Twists, and Turns for Molecular DockingGabriele Corso, Hannes Stärk, Bowen Jing, Regina Barzilay et al.ICLR 2023 · 331 citations
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