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Sequential decision-making is desired to align with human intents and exhibit versatility across various tasks. Previous methods formulate it as a conditional generation process, utilizing return-conditioned diffusion models to directly…

Machine Learning · Computer Science 2024-10-11 Xudong Yu , Chenjia Bai , Haoran He , Changhong Wang , Xuelong Li

Diffusion models have been widely studied for removing unsafe content learned during pre-training. Existing methods require expensive supervised data, either unsafe-text paired with safe-image groundtruth or negative/positive image pairs,…

Computer Vision and Pattern Recognition · Computer Science 2026-05-19 Komal Kumar , Ankan Deria , Abhishek Basu , Fahad Shamshad , Hisham Cholakkal , Karthik Nandakumar

Generative AI has redefined artificial intelligence, enabling the creation of innovative content and customized solutions that drive business practices into a new era of efficiency and creativity. In this paper, we focus on diffusion…

Machine Learning · Computer Science 2024-03-21 Zihao Li , Hui Yuan , Kaixuan Huang , Chengzhuo Ni , Yinyu Ye , Minshuo Chen , Mengdi Wang

The task of deducing three-dimensional molecular configurations from their two-dimensional graph representations holds paramount importance in the fields of computational chemistry and pharmaceutical development. The rapid advancement of…

Biomolecules · Quantitative Biology 2025-01-09 Bobin Yang , Jie Deng , Zhenghan Chen , Ruoxue Wu

Aligning diffusion model outputs with downstream objectives is essential for improving task-specific performance. Broadly, inference-time training-free approaches for aligning diffusion models can be categorized into two main strategies:…

Computer Vision and Pattern Recognition · Computer Science 2025-12-16 Maurya Goyal , Anuj Singh , Hadi Jamali-Rad

Diffusion models have shown promising generative capabilities across diverse domains, yet aligning their outputs with desired reward functions remains a challenge, particularly in cases where reward functions are non-differentiable. Some…

Machine Learning · Computer Science 2025-06-04 Xiner Li , Masatoshi Uehara , Xingyu Su , Gabriele Scalia , Tommaso Biancalani , Aviv Regev , Sergey Levine , Shuiwang Ji

As Diffusion Models have shown promising performance, a lot of efforts have been made to improve the controllability of Diffusion Models. However, how to train Diffusion Models to have the disentangled latent spaces and how to naturally…

Computer Vision and Pattern Recognition · Computer Science 2025-07-02 Wonwoong Cho , Hareesh Ravi , Midhun Harikumar , Vinh Khuc , Krishna Kumar Singh , Jingwan Lu , David I. Inouye , Ajinkya Kale

In this paper we describe a novel framework for diffusion-based generative modeling on constrained spaces. In particular, we introduce manual bridges, a framework that expands the kinds of constraints that can be practically used to form…

Machine Learning · Computer Science 2025-02-28 Saeid Naderiparizi , Xiaoxuan Liang , Berend Zwartsenberg , Frank Wood

Safe and agile trajectory planning is essential for autonomous systems, especially during complex aerobatic maneuvers. Motivated by the recent success of diffusion models in generative tasks, this paper introduces AeroTrajGen, a novel…

Robotics · Computer Science 2026-04-28 Peiwen Yang , Shiyu Bai , Weisong Wen , Yixin Gao , Jiahao Hu

Despite the recent advancements, conditional image generation still faces challenges of cost, generalizability, and the need for task-specific training. In this paper, we propose Manifold Preserving Guided Diffusion (MPGD), a training-free…

This tutorial provides a comprehensive survey of methods for fine-tuning diffusion models to optimize downstream reward functions. While diffusion models are widely known to provide excellent generative modeling capability, practical…

Machine Learning · Computer Science 2024-07-19 Masatoshi Uehara , Yulai Zhao , Tommaso Biancalani , Sergey Levine

In diffusion and flow-matching generative models, guidance techniques are widely used to improve sample quality and consistency. Classifier-free guidance (CFG) is the de facto choice in modern systems and achieves this by contrasting…

Computer Vision and Pattern Recognition · Computer Science 2025-12-22 Ankit Yadav , Ta Duc Huy , Lingqiao Liu

In light of the widespread success of generative models, a significant amount of research has gone into speeding up their sampling time. However, generative models are often sampled multiple times to obtain a diverse set incurring a cost…

Machine Learning · Computer Science 2023-11-27 Gabriele Corso , Yilun Xu , Valentin de Bortoli , Regina Barzilay , Tommi Jaakkola

In this paper, we consider the conditional generation problem by guiding off-the-shelf unconditional diffusion models with differentiable loss functions in a plug-and-play fashion. While previous research has primarily focused on balancing…

Computer Vision and Pattern Recognition · Computer Science 2024-11-21 Youyuan Zhang , Zehua Liu , Zenan Li , Zhaoyu Li , James J. Clark , Xujie Si

Proper guidance strategies are essential to achieve high-quality generation results without retraining diffusion and flow-based text-to-image models. Existing guidance either requires specific training or strong inductive biases of…

Computer Vision and Pattern Recognition · Computer Science 2025-09-29 Tiancheng Li , Weijian Luo , Zhiyang Chen , Liyuan Ma , Guo-Jun Qi

Recent advances in diffusion models have shown remarkable potential in the conditional generation of novel molecules. These models can be guided in two ways: (i) explicitly, through additional features representing the condition, or (ii)…

Machine Learning · Computer Science 2025-03-12 Yuchen Shen , Chenhao Zhang , Sijie Fu , Chenghui Zhou , Newell Washburn , Barnabás Póczos

Diffusion guidance is a powerful technique that enables controllable and high-fidelity sample generation with diffusion models. At a high level, it modifies the score function by incorporating a guidance term that steers the generative…

Machine Learning · Computer Science 2026-05-25 Ruijia Cao , Yuchen Wu , Nisha Chandramoorthy

Can a text-to-image diffusion model be used as a training objective for adapting a GAN generator to another domain? In this paper, we show that the classifier-free guidance can be leveraged as a critic and enable generators to distill…

Computer Vision and Pattern Recognition · Computer Science 2022-12-12 Kunpeng Song , Ligong Han , Bingchen Liu , Dimitris Metaxas , Ahmed Elgammal

Guidance is a cornerstone of modern diffusion models, playing a pivotal role in conditional generation and enhancing the quality of unconditional samples. However, current approaches to guidance scheduling--determining the appropriate…

Controllable molecular graph generation is essential for material and drug discovery, where generated molecules must satisfy diverse property constraints. While recent advances in graph diffusion models have improved generation quality,…

Machine Learning · Computer Science 2025-09-30 Anjie Qiao , Zhen Wang , Chuan Chen , DeFu Lian , Enhong Chen