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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

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

Classifier-guided diffusion models have emerged as a powerful approach for conditional image generation, but they suffer from overconfident predictions during early denoising steps, causing the guidance gradient to vanish. This paper…

Computer Vision and Pattern Recognition · Computer Science 2025-12-23 Seyed Alireza Javid , Amirhossein Bagheri , Nuria González-Prelcic

Diffusion models have revolutionized video generation, becoming essential tools in creative content generation and physical simulation. Transformer-based architectures (DiTs) and classifier-free guidance (CFG) are two cornerstones of this…

Computer Vision and Pattern Recognition · Computer Science 2025-12-04 Zhiye Song , Steve Dai , Ben Keller , Brucek Khailany

We introduce a new paradigm for generative modeling built on Continuous Normalizing Flows (CNFs), allowing us to train CNFs at unprecedented scale. Specifically, we present the notion of Flow Matching (FM), a simulation-free approach for…

Machine Learning · Computer Science 2023-02-09 Yaron Lipman , Ricky T. Q. Chen , Heli Ben-Hamu , Maximilian Nickel , Matt Le

Diffusion-based Handwritten Text Generation (HTG) approaches achieve impressive results on frequent, in-vocabulary words observed at training time and on regular styles. However, they are prone to memorizing training samples and often…

Computer Vision and Pattern Recognition · Computer Science 2025-08-26 Konstantina Nikolaidou , George Retsinas , Giorgos Sfikas , Silvia Cascianelli , Rita Cucchiara , Marcus Liwicki

Continuous Normalizing Flows (CNFs) have emerged as promising deep generative models for a wide range of tasks thanks to their invertibility and exact likelihood estimation. However, conditioning CNFs on signals of interest for conditional…

Machine Learning · Computer Science 2019-12-10 Tan M. Nguyen , Animesh Garg , Richard G. Baraniuk , Anima Anandkumar

Recent advances in diffusion models attempt to handle conditional generative tasks by utilizing a differentiable loss function for guidance without the need for additional training. While these methods achieved certain success, they often…

Machine Learning · Computer Science 2024-07-08 Lingxiao Yang , Shutong Ding , Yifan Cai , Jingyi Yu , Jingya Wang , Ye Shi

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

We introduce meta-learning algorithms that perform zero-shot weight-space adaptation of neural network models to unseen tasks. Our methods repurpose the popular generative image synthesis techniques of natural language guidance and…

Machine Learning · Computer Science 2023-02-01 Elvis Nava , Seijin Kobayashi , Yifei Yin , Robert K. Katzschmann , Benjamin F. Grewe

Iterative refinement methods based on a denoising-inversion cycle are powerful tools for enhancing the quality and control of diffusion models. However, their effectiveness is critically limited when combined with standard Classifier-Free…

Computer Vision and Pattern Recognition · Computer Science 2025-12-30 Haosen Li , Wenshuo Chen , Shaofeng Liang , Lei Wang , Haozhe Jia , Yutao Yue

We introduce segmentation-free guidance, a novel method designed for text-to-image diffusion models like Stable Diffusion. Our method does not require retraining of the diffusion model. At no additional compute cost, it uses the diffusion…

Computer Vision and Pattern Recognition · Computer Science 2024-07-09 Kambiz Azarian , Debasmit Das , Qiqi Hou , Fatih Porikli

Recently, researchers have proposed many deep generative models, including generative adversarial networks(GANs) and denoising diffusion models. Although significant breakthroughs have been made and empirical success has been achieved with…

Computer Vision and Pattern Recognition · Computer Science 2025-01-22 Chang Wan , Ming-Hsuan Yang , Minglu Li , Yunliang Jiang , Zhonglong Zheng

Model-free reinforcement learning has emerged as a powerful method for developing robust robot control policies capable of navigating through complex and unstructured terrains. The effectiveness of these methods hinges on two essential…

Robotics · Computer Science 2024-10-15 Youwei Yu , Junhong Xu , Lantao Liu

Diffusion models are instrumental in text-to-audio (TTA) generation. Unfortunately, they suffer from slow inference due to an excessive number of queries to the underlying denoising network per generation. To address this bottleneck, we…

Sound · Computer Science 2024-06-25 Yatong Bai , Trung Dang , Dung Tran , Kazuhito Koishida , Somayeh Sojoudi

Diffusion models have emerged as a formidable tool for training-free conditional generation.However, a key hurdle in inference-time guidance techniques is the need for compute-heavy backpropagation through the diffusion network for…

Computer Vision and Pattern Recognition · Computer Science 2024-06-05 Nithin Gopalakrishnan Nair , Vishal M Patel

Current language models demonstrate remarkable proficiency in text generation. However, for many applications it is desirable to control attributes, such as sentiment, or toxicity, of the generated language -- ideally tailored towards each…

Computation and Language · Computer Science 2024-08-09 Justin Lovelace , Varsha Kishore , Yiwei Chen , Kilian Q. Weinberger

Diffusion models have demonstrated empirical successes in various applications and can be adapted to task-specific needs via guidance. This paper studies a form of gradient guidance for adapting a pre-trained diffusion model towards…

Machine Learning · Statistics 2024-10-17 Yingqing Guo , Hui Yuan , Yukang Yang , Minshuo Chen , Mengdi Wang

Diffusion models can unintentionally reproduce training examples, raising privacy and copyright concerns as these systems are increasingly deployed at scale. Existing inference-time mitigation methods typically manipulate classifier-free…

Artificial Intelligence · Computer Science 2025-12-12 Tong Zhang , Carlos Hinojosa , Bernard Ghanem

Many real-world machine learning tasks require outputs that satisfy hard constraints, such as physical conservation laws, structured dependencies in graphs, or column-level relationships in tabular data. Existing approaches rely either on…

Artificial Intelligence · Computer Science 2025-11-21 Pantelis Dogoulis , Fabien Bernier , Félix Fourreau , Karim Tit , Maxime Cordy