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We address the problem of fine-tuning diffusion models for reward-guided generation in biomolecular design. While diffusion models have proven highly effective in modeling complex, high-dimensional data distributions, real-world…

To fully leverage the capabilities of diffusion models, we are often interested in optimizing downstream reward functions during inference. While numerous algorithms for reward-guided generation have been recently proposed due to their…

Machine Learning · Computer Science 2025-04-18 Masatoshi Uehara , Xingyu Su , Yulai Zhao , Xiner Li , Aviv Regev , Shuiwang Ji , Sergey Levine , Tommaso Biancalani

This study presents a generative optimization framework that builds on a fine-tuned diffusion model and reward-directed sampling to generate high-performance engineering designs. The framework adopts a parametric representation of the…

Machine Learning · Computer Science 2025-08-05 Hadi Keramati , Patrick Kirchen , Mohammed Hannan , Rajeev K. Jaiman

This tutorial provides an in-depth guide on inference-time guidance and alignment methods for optimizing downstream reward functions in diffusion models. While diffusion models are renowned for their generative modeling capabilities,…

Artificial Intelligence · Computer Science 2025-01-22 Masatoshi Uehara , Yulai Zhao , Chenyu Wang , Xiner Li , Aviv Regev , Sergey Levine , Tommaso Biancalani

Generative diffusion models have achieved remarkable success in producing high-quality images. However, these models typically operate in continuous intensity spaces, diffusing independently across pixels and color channels. As a result,…

Graphics · Computer Science 2025-05-20 Javier E. Santos , Agnese Marcato , Roman Colman , Nicholas Lubbers , Yen Ting Lin

Discrete diffusion models have recently emerged as a powerful class of generative models for chemistry and biology data. In these fields, the goal is to generate various samples with high rewards (e.g., drug-likeness in molecules), making…

Machine Learning · Computer Science 2026-02-11 Prin Phunyaphibarn , Minhyuk Sung

Diffusion models for continuous data gained widespread adoption owing to their high quality generation and control mechanisms. However, controllable diffusion on discrete data faces challenges given that continuous guidance methods do not…

Diffusion models excel at capturing complex data distributions, such as those of natural images and proteins. While diffusion models are trained to represent the distribution in the training dataset, we often are more concerned with other…

Current mainstream methods of aligning diffusion models with human preferences typically employ VLM-based reward models. However, these reward models, pre-trained for semantic alignment, struggle to capture the essential perceptual…

Computer Vision and Pattern Recognition · Computer Science 2026-05-26 Jaxon Zhang , Binxin Yang , Hubery Yin , Chen Li , Jing Lyu

Diffusion models have achieved remarkable results in image generation, and have similarly been used to learn high-performing policies in sequential decision-making tasks. Decision-making diffusion models can be trained on lower-quality…

Machine Learning · Computer Science 2023-12-12 Felipe Nuti , Tim Franzmeyer , João F. Henriques

Classifier-free guided diffusion models have recently been shown to be highly effective at high-resolution image generation, and they have been widely used in large-scale diffusion frameworks including DALLE-2, Stable Diffusion and Imagen.…

Computer Vision and Pattern Recognition · Computer Science 2023-04-14 Chenlin Meng , Robin Rombach , Ruiqi Gao , Diederik P. Kingma , Stefano Ermon , Jonathan Ho , Tim Salimans

Diffusion models have emerged as powerful generative tools across various domains, yet tailoring pre-trained models to exhibit specific desirable properties remains challenging. While reinforcement learning (RL) offers a promising…

Computer Vision and Pattern Recognition · Computer Science 2025-06-03 Fengyuan Dai , Zifeng Zhuang , Yufei Huang , Siteng Huang , Bangyan Liao , Donglin Wang , Fajie Yuan

Video diffusion alignment has been heavily relied on scalar rewards. These rewards are typically derived from learned reward models in human preference datasets, requiring additional training and extensive collection. Moreover, scalar…

Computer Vision and Pattern Recognition · Computer Science 2026-03-18 Yifan Wang , Yanyu Li , Gordon Guocheng Qian , Sergey Tulyakov , Yun Fu , Anil Kag

Diffusion Models (DMs) have demonstrated state-of-the-art performance in content generation without requiring adversarial training. These models are trained using a two-step process. First, a forward - diffusion - process gradually adds…

Computer Vision and Pattern Recognition · Computer Science 2024-03-13 Anwaar Ulhaq , Naveed Akhtar

There has been a flurry of activity around using pretrained diffusion models as informed data priors for solving inverse problems, and more generally around steering these models using reward models. Training-free methods like diffusion…

Machine Learning · Computer Science 2025-06-13 Aayush Karan , Kulin Shah , Sitan Chen

Recent studies have demonstrated the strong empirical performance of diffusion models on discrete sequences across domains from natural language to biological sequence generation. For example, in the protein inverse folding task,…

Diffusion Probabilistic Models (DPMs) have emerged as the de facto approach for high-fidelity image synthesis, operating diffusion processes on continuous VAE latent, which significantly differ from the text generation methods employed by…

Computer Vision and Pattern Recognition · Computer Science 2024-12-30 Xiaoping Wu , Jie Hu , Xiaoming Wei

Guidance serves as a key concept in diffusion models, yet its effectiveness is often limited by the need for extra data annotation or classifier pretraining. That is why guidance was harnessed from self-supervised learning backbones, like…

Computer Vision and Pattern Recognition · Computer Science 2023-12-15 Vincent Tao Hu , Yunlu Chen , Mathilde Caron , Yuki M. Asano , Cees G. M. Snoek , Bjorn Ommer

Image generative models, particularly diffusion-based models, have surged in popularity due to their remarkable ability to synthesize highly realistic images. However, since these models are data-driven, they inherit biases from the…

Machine Learning · Computer Science 2025-03-18 Lin-Chun Huang , Ching Chieh Tsao , Fang-Yi Su , Jung-Hsien Chiang

Recent literature has effectively leveraged diffusion models trained on continuous variables as priors for solving inverse problems. Notably, discrete diffusion models with discrete latent codes have shown strong performance, particularly…

Computer Vision and Pattern Recognition · Computer Science 2025-09-22 Naoki Murata , Chieh-Hsin Lai , Yuhta Takida , Toshimitsu Uesaka , Bac Nguyen , Stefano Ermon , Yuki Mitsufuji
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