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Proteins underpin most biological function, and the ability to design them with tailored structures and properties is central to advances in biotechnology. Diffusion-based generative models have emerged as powerful tools for protein design,…

Machine Learning · Computer Science 2026-04-07 Erik Hartman , Jonas Wallin , Johan Malmström , Jimmy Olsson

While score-based generative models are the model of choice across diverse domains, there are limited tools available for controlling inference-time behavior in a principled manner, e.g. for composing multiple pretrained models. Existing…

Conditional Flow Matching(CFM) represents a fast and high-quality approach to generative modelling, but in many applications it is of interest to steer the generated samples towards precise requirements. While steering approaches like…

Machine Learning · Computer Science 2025-09-03 Konstantin Mark , Leonard Galustian , Maximilian P. -P. Kovar , Esther Heid

Discrete diffusion models have recently emerged as a promising alternative to the autoregressive approach for generating discrete sequences. Sample generation via gradual denoising or demasking processes allows them to capture hierarchical…

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

A common recipe to improve diffusion models at test-time so that samples score highly against a user-specified reward is to introduce the gradient of the reward into the dynamics of the diffusion itself. This procedure is often ill posed,…

Diffusion models and flow matching have demonstrated remarkable success in text-to-image generation. While many existing alignment methods primarily focus on fine-tuning pre-trained generative models to maximize a given reward function,…

Machine Learning · Statistics 2026-02-03 Yidong Ouyang , Liyan Xie , Hongyuan Zha , Guang Cheng

Guided or controlled data generation with diffusion models\blfootnote{Partial preliminary results of this work appeared in International Conference on Machine Learning 2025 \citep{li2025provable}.} has become a cornerstone of modern…

Machine Learning · Statistics 2025-12-05 Yuchen Jiao , Yuxin Chen , Gen Li

This article develops a methodology allowing application of the complete machinery of particle-based inference methods upon the class of continuous-discrete State Space Models (CD-SSMs). Such models correspond to a latent continuous-time…

Methodology · Statistics 2025-11-17 Christopher Stanton , Alexandros Beskos

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

Score-based diffusion models have proven effective in image generation and have gained widespread usage; however, the underlying factors contributing to the performance disparity between stochastic and deterministic (i.e., the probability…

Machine Learning · Computer Science 2024-03-19 Yuji Hirono , Akinori Tanaka , Kenji Fukushima

Diffusion models show promise for image restoration, but existing methods often struggle with inconsistent fidelity and undesirable artifacts. To address this, we introduce Kernel Density Steering (KDS), a novel inference-time framework…

Computer Vision and Pattern Recognition · Computer Science 2025-10-28 Yuyang Hu , Kangfu Mei , Mojtaba Sahraee-Ardakan , Ulugbek S. Kamilov , Peyman Milanfar , Mauricio Delbracio

Adapting a pretrained diffusion model to new objectives at inference time remains an open problem in generative modeling. Existing steering methods suffer from inaccurate value estimation, especially at high noise levels, which biases…

Machine Learning · Computer Science 2025-06-27 Vineet Jain , Kusha Sareen , Mohammad Pedramfar , Siamak Ravanbakhsh

The emergence of text-driven motion synthesis technique provides animators with great potential to create efficiently. However, in most cases, textual expressions only contain general and qualitative motion descriptions, while lack fine…

Computer Vision and Pattern Recognition · Computer Science 2023-12-27 Dong Wei , Xiaoning Sun , Huaijiang Sun , Bin Li , Shengxiang Hu , Weiqing Li , Jianfeng Lu

Guiding unconditional diffusion models typically requires either retraining with conditional inputs or per-step gradient computations (e.g., classifier-based guidance), both of which incur substantial computational overhead. We present a…

Machine Learning · Computer Science 2026-02-13 Qingsong Wang , Mikhail Belkin , Yusu Wang

Reward-based fine-tuning steers a pretrained diffusion or flow-based generative model toward higher-reward samples while remaining close to the pretrained model. Although existing methods are derived from different perspectives, we show…

Machine Learning · Computer Science 2026-05-08 Jeongjae Lee , Jinho Chang , Jeongsol Kim , Jong Chul Ye

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

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 are state-of-the-art generative models, yet their samples often fail to satisfy application objectives such as safety constraints or domain-specific validity. Existing techniques for alignment require gradients, internal…

Diffusion models have become a leading paradigm for image super-resolution (SR), but existing methods struggle to guarantee both the high-frequency perceptual quality and the low-frequency structural fidelity of generated images. Although…

Computer Vision and Pattern Recognition · Computer Science 2026-04-14 Hexin Zhang , Dong Li , Jie Huang , Bingzhou Wang , Xueyang Fu , Zhengjun Zha
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