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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

Guided diffusion-model generation is a promising direction for customizing the generation process of a pre-trained diffusion model to address specific downstream tasks. Existing guided diffusion models either rely on training the guidance…

Machine Learning · Computer Science 2025-04-01 Kim Yong Tan , Yueming Lyu , Ivor Tsang , Yew-Soon Ong

Successful forensic detectors can produce excellent results in supervised learning benchmarks but struggle to transfer to real-world applications. We believe this limitation is largely due to inadequate training data quality. While most…

Computer Vision and Pattern Recognition · Computer Science 2025-04-04 Fabrizio Guillaro , Giada Zingarini , Ben Usman , Avneesh Sud , Davide Cozzolino , Luisa Verdoliva

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…

Recent advancements in diffusion and flow-matching models have demonstrated remarkable capabilities in high-fidelity image synthesis. A prominent line of research involves reward-guided guidance, which steers the generation process during…

Computer Vision and Pattern Recognition · Computer Science 2026-05-01 Jinho Chang , Jaemin Kim , Jong Chul Ye

In this paper, we propose Tortoise and Hare Guidance (THG), a training-free strategy that accelerates diffusion sampling while maintaining high-fidelity generation. We demonstrate that the noise estimate and the additional guidance term…

Computer Vision and Pattern Recognition · Computer Science 2025-11-07 Yunghee Lee , Byeonghyun Pak , Junwha Hong , Hoseong Kim

Counterfactual generation aims to simulate realistic hypothetical outcomes under causal interventions. Diffusion models have emerged as a powerful tool for this task, combining DDIM inversion with conditional generation and classifier-free…

Computer Vision and Pattern Recognition · Computer Science 2026-05-11 Tian Xia , Fabio De Sousa Ribeiro , Rajat R Rasal , Avinash Kori , Raghav Mehta , Ben Glocker

This work focuses on the task of property targeting: that is, generating molecules conditioned on target chemical properties to expedite candidate screening for novel drug and materials development. DiGress is a recent diffusion model for…

Machine Learning · Computer Science 2024-10-02 Matteo Ninniri , Marco Podda , Davide Bacciu

Recent advances in diffusion models have significantly improved text-to-face generation, but achieving fine-grained control over facial features remains a challenge. Existing methods often require training additional modules to handle…

Computer Vision and Pattern Recognition · Computer Science 2025-05-26 Liang Shi , Yun Fu

We introduce Policy Gradient Guidance (PGG), a simple extension of classifier-free guidance from diffusion models to classical policy gradient methods. PGG augments the policy gradient with an unconditional branch and interpolates…

Machine Learning · Computer Science 2025-10-03 Jianing Qi , Hao Tang , Zhigang Zhu

In this paper, we present \textbf{\textit{FasterCache}}, a novel training-free strategy designed to accelerate the inference of video diffusion models with high-quality generation. By analyzing existing cache-based methods, we observe that…

Computer Vision and Pattern Recognition · Computer Science 2025-03-13 Zhengyao Lv , Chenyang Si , Junhao Song , Zhenyu Yang , Yu Qiao , Ziwei Liu , Kwan-Yee K. Wong

Creating large-scale datasets for training high-performance generative models is often prohibitively expensive, especially when associated attributes or annotations must be provided. As a result, merging existing datasets has become a…

Machine Learning · Statistics 2026-03-31 Yanfeng Yang , Kenji Fukumizu

Diffusion models have recently gained prominence in offline reinforcement learning due to their ability to effectively learn high-performing, generalizable policies from static datasets. Diffusion-based planners facilitate long-horizon…

Machine Learning · Computer Science 2025-10-27 Donghyeon Ki , JunHyeok Oh , Seong-Woong Shim , Byung-Jun Lee

Conventional time-series forecasting methods typically aim to minimize overall prediction error, without accounting for the varying importance of different forecast ranges in downstream applications. We propose a training methodology that…

Machine Learning · Computer Science 2025-08-15 Luca-Andrei Fechete , Mohamed Sana , Fadhel Ayed , Nicola Piovesan , Wenjie Li , Antonio De Domenico , Tareq Si Salem

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

Two fundamental problems in unsupervised learning are efficient inference for latent-variable models and robust density estimation based on large amounts of unlabeled data. Algorithms for the two tasks, such as normalizing flows and…

Machine Learning · Statistics 2018-08-02 Changyou Chen , Chunyuan Li , Liqun Chen , Wenlin Wang , Yunchen Pu , Lawrence Carin

Path planning for a robotic system in high-dimensional cluttered environments needs to be efficient, safe, and adaptable for different environments and hardware. Conventional methods face high computation time and require extensive…

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

Diffusion models are effective for waypoint prediction in visual navigation, but standard sampling and test time guidance can produce unreliable or inefficient trajectories when updates drift off the training manifold. We propose Fisher…

Robotics · Computer Science 2026-05-29 Hao Ren , Zetong Bi , Yiming Zeng , Le Zheng , Zhi Li , Zhaoliang Wan , Lu Qi , Hui Cheng

Deep nonparametric regression, characterized by the utilization of deep neural networks to learn target functions, has emerged as a focus of research attention in recent years. Despite considerable progress in understanding convergence…

Machine Learning · Statistics 2024-08-01 Yuling Jiao , Lican Kang , Jin Liu , Heng Peng , Heng Zuo
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