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Generative models have the potential to accelerate key steps in the discovery of novel molecular therapeutics and materials. Diffusion models have recently emerged as a powerful approach, excelling at unconditional sample generation and,…

Biomolecules · Quantitative Biology 2024-07-17 Leo Klarner , Tim G. J. Rudner , Garrett M. Morris , Charlotte M. Deane , Yee Whye Teh

Direct optimization is an appealing framework that replaces integration with optimization of a random objective for approximating gradients in models with discrete random variables. A$^\star$ sampling is a framework for optimizing such…

Machine Learning · Computer Science 2020-10-26 Guy Lorberbom , Chris J. Maddison , Nicolas Heess , Tamir Hazan , Daniel Tarlow

In many real-world settings, agents must learn from an offline dataset gathered by some prior behavior policy. Such a setting naturally leads to distribution shift between the behavior policy and the target policy being trained - requiring…

Machine Learning · Computer Science 2024-04-10 Matthew Thomas Jackson , Michael Tryfan Matthews , Cong Lu , Benjamin Ellis , Shimon Whiteson , Jakob Foerster

Diffusion models have emerged as powerful generative models for graph generation, yet their use for conditional graph generation remains a fundamental challenge. In particular, guiding diffusion models on graphs under arbitrary reward…

Machine Learning · Computer Science 2025-05-27 Victor M. Tenorio , Nicolas Zilberstein , Santiago Segarra , Antonio G. Marques

Denoising-based generative models, particularly diffusion and flow matching algorithms, have achieved remarkable success. However, aligning their output distributions with complex downstream objectives, such as human preferences,…

Machine Learning · Computer Science 2025-08-29 Luozhijie Jin , Zijie Qiu , Jie Liu , Zijie Diao , Lifeng Qiao , Ning Ding , Alex Lamb , Xipeng Qiu

Classifier-Free Guidance (CFG) enhances the quality and condition adherence of text-to-image diffusion models. It operates by combining the conditional and unconditional predictions using a fixed weight. However, recent works vary the…

Computer Vision and Pattern Recognition · Computer Science 2025-01-23 Xi Wang , Nicolas Dufour , Nefeli Andreou , Marie-Paule Cani , Victoria Fernandez Abrevaya , David Picard , Vicky Kalogeiton

How much explicit guidance is necessary for conditional diffusion? We consider the problem of conditional sampling using an unconditional diffusion model and limited explicit guidance (e.g., a noised classifier, or a conditional diffusion…

Given an unconditional diffusion model and a predictor for a target property of interest (e.g., a classifier), the goal of training-free guidance is to generate samples with desirable target properties without additional training. Existing…

Machine Learning · Computer Science 2024-11-20 Haotian Ye , Haowei Lin , Jiaqi Han , Minkai Xu , Sheng Liu , Yitao Liang , Jianzhu Ma , James Zou , Stefano Ermon

Recent advancements in diffusion models have revolutionized generative modeling. However, the impressive and vivid outputs they produce often come at the cost of significant model scaling and increased computational demands. Consequently,…

Machine Learning · Computer Science 2025-04-03 Jincheng Zhong , Xiangcheng Zhang , Jianmin Wang , Mingsheng Long

Recent studies have demonstrated that diffusion models are capable of generating high-quality samples, but their quality heavily depends on sampling guidance techniques, such as classifier guidance (CG) and classifier-free guidance (CFG).…

Computer Vision and Pattern Recognition · Computer Science 2025-07-08 Donghoon Ahn , Hyoungwon Cho , Jaewon Min , Wooseok Jang , Jungwoo Kim , SeonHwa Kim , Hyun Hee Park , Kyong Hwan Jin , Seungryong Kim

Classifier-Free Guidance (CFG) is a cornerstone of modern text-to-image models, yet its reliance on a semantically vacuous null prompt ($\varnothing$) generates a guidance signal prone to geometric entanglement. This is a key factor…

Computer Vision and Pattern Recognition · Computer Science 2026-03-12 Shilong Han , Yuming Zhang , Hongxia Wang

Reinforcement learning is essential for neural architecture search and hyperparameter optimization, but the conventional approaches impede widespread use due to prohibitive time and computational costs. Inspired by DeepSeek-V3 multi-token…

Machine Learning · Computer Science 2025-06-19 Zheng Li , Jerry Cheng , Huanying Helen Gu

This paper presents a test-time guidance method to improve the output quality of the human motion diffusion models without requiring additional training. To have negative guidance, Smooth Perturbation Guidance (SPG) builds a weak model by…

Computer Vision and Pattern Recognition · Computer Science 2025-03-05 Boseong Jeon

Direct policy gradient methods for reinforcement learning are a successful approach for a variety of reasons: they are model free, they directly optimize the performance metric of interest, and they allow for richly parameterized policies.…

Machine Learning · Computer Science 2020-08-14 Alekh Agarwal , Mikael Henaff , Sham Kakade , Wen Sun

We investigate the theoretical foundations of classifier-free guidance (CFG). CFG is the dominant method of conditional sampling for text-to-image diffusion models, yet unlike other aspects of diffusion, it remains on shaky theoretical…

Machine Learning · Computer Science 2024-08-26 Arwen Bradley , Preetum Nakkiran

Classifier-free Guidance (CFG) is a widely used technique in modern diffusion models for enhancing sample quality and prompt adherence. However, through an empirical analysis on Gaussian mixture modeling with a closed-form solution, we…

Computer Vision and Pattern Recognition · Computer Science 2026-03-05 Chubin Chen , Jiashu Zhu , Xiaokun Feng , Nisha Huang , Chen Zhu , Meiqi Wu , Fangyuan Mao , Jiahong Wu , Xiangxiang Chu , Xiu Li

Despite their success, policy gradient methods suffer from high variance of the gradient estimate, which can result in unsatisfactory sample complexity. Recently, numerous variance-reduced extensions of policy gradient methods with provably…

Machine Learning · Computer Science 2022-02-02 Matilde Gargiani , Andrea Zanelli , Andrea Martinelli , Tyler Summers , John Lygeros

Denoising diffusion models excel at generating high-quality images conditioned on text prompts, yet their effectiveness heavily relies on careful guidance during the sampling process. Classifier-Free Guidance (CFG) provides a widely used…

Graphics · Computer Science 2026-03-04 Shai Yehezkel , Omer Dahary , Andrey Voynov , Daniel Cohen-Or

Classifier-free guidance (CFG) has helped diffusion models achieve great conditional generation in various fields. Recently, more diffusion guidance methods have emerged with improved generation quality and human preference. However, can…

Computer Vision and Pattern Recognition · Computer Science 2026-02-27 Dian Xie , Shitong Shao , Lichen Bai , Zikai Zhou , Bojun Cheng , Shuo Yang , Jun Wu , Zeke Xie

We study a reinforcement learning setting, where the state transition function is a convex combination of a stochastic continuous function and a deterministic function. Such a setting generalizes the widely-studied stochastic state…

Machine Learning · Computer Science 2018-10-03 Qingpeng Cai , Ling Pan , Pingzhong Tang