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Effectively designing molecular geometries is essential to advancing pharmaceutical innovations, a domain, which has experienced great attention through the success of generative models and, in particular, diffusion models. However, current…

Biomolecules · Quantitative Biology 2025-01-07 Sirine Ayadi , Leon Hetzel , Johanna Sommer , Fabian Theis , Stephan Günnemann

Diffusion models have demonstrated remarkable progress in image generation quality, especially when guidance is used to control the generative process. However, guidance requires a large amount of image-annotation pairs for training and is…

Computer Vision and Pattern Recognition · Computer Science 2023-11-28 Vincent Tao Hu , David W Zhang , Yuki M. Asano , Gertjan J. Burghouts , Cees G. M. Snoek

Score-based diffusion models have emerged as one of the most promising frameworks for deep generative modelling. In this work we conduct a systematic comparison and theoretical analysis of different approaches to learning conditional…

Machine Learning · Computer Science 2021-11-29 Georgios Batzolis , Jan Stanczuk , Carola-Bibiane Schönlieb , Christian Etmann

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

Neural networks are known to be susceptible to adversarial samples: small variations of natural examples crafted to deliberately mislead the models. While they can be easily generated using gradient-based techniques in digital and physical…

Computer Vision and Pattern Recognition · Computer Science 2024-01-18 Haotian Xue , Alexandre Araujo , Bin Hu , Yongxin Chen

This paper introduces a novel graph signal processing framework for building graph-based models from classes of filtered signals. In our framework, graph-based modeling is formulated as a graph system identification problem, where the goal…

Machine Learning · Computer Science 2018-03-08 Hilmi E. Egilmez , Eduardo Pavez , Antonio Ortega

Recent advances in Diffusion Probabilistic Models (DPMs) have set new standards in high-quality image synthesis. Yet, controlled generation remains challenging, particularly in sensitive areas such as medical imaging. Medical images feature…

Computer Vision and Pattern Recognition · Computer Science 2025-10-09 Sarah Cechnicka , Matthew Baugh , Weitong Zhang , Mischa Dombrowski , Zhe Li , Johannes C. Paetzold , Candice Roufosse , Bernhard Kainz

Generative models often treat continuous data and discrete events as separate processes, creating a gap in modeling complex systems where they interact synchronously. To bridge this gap, we introduce JointDiff, a novel diffusion framework…

Machine Learning · Computer Science 2026-01-30 Guillem Capellera , Luis Ferraz , Antonio Rubio , Alexandre Alahi , Antonio Agudo

Dynamic graphs are ubiquitous in real-world systems, and building generalizable dynamic Graph Foundation Models has become a frontier in graph learning. However, dynamic graphs from different domains pose fundamental challenges to unified…

Machine Learning · Computer Science 2026-05-14 Haonan Yuan , Qingyun Sun , Junhua Shi , Xingcheng Fu , Jianxin Li , Philip S. Yu

Typical diffusion models are trained to accept a particular form of conditioning, most commonly text, and cannot be conditioned on other modalities without retraining. In this work, we propose a universal guidance algorithm that enables…

Computer Vision and Pattern Recognition · Computer Science 2023-02-15 Arpit Bansal , Hong-Min Chu , Avi Schwarzschild , Soumyadip Sengupta , Micah Goldblum , Jonas Geiping , Tom Goldstein

Diffusion models steer conditional generation with a tunable guidance scale to trade off prompt alignment and diversity. However, existing debiasing techniques are optimized for a single scale, degrading fairness when users adjust this…

Computer Vision and Pattern Recognition · Computer Science 2026-05-28 Myeongsoo Kim , Eunji Kim , Minwoo Chae , Sangwoo Mo

Diffusion-based graph generative models have recently obtained promising results for graph generation. However, existing diffusion-based graph generative models are mostly one-shot generative models that apply Gaussian diffusion in the…

Artificial Intelligence · Computer Science 2023-07-19 Lingkai Kong , Jiaming Cui , Haotian Sun , Yuchen Zhuang , B. Aditya Prakash , Chao Zhang

Diffusion models have demonstrated remarkable capabilities in generating high-quality samples and enhancing performance across diverse domains through Classifier-Free Guidance (CFG). However, the quality of generated samples is highly…

Computer Vision and Pattern Recognition · Computer Science 2025-08-21 Ao Chen , Lihe Ding , Tianfan Xue

Conditional generative models, particularly diffusion-based methods, have recently been applied to graph prediction by modeling the target as a conditional distribution given the input graph, yielding competitive results compared to…

Artificial Intelligence · Computer Science 2026-05-08 Shaozhen Ma , Wei Huang , Hanchen Wang , Dong Wen , Wenjie Zhang

Diffusion and flow-based models have enabled significant progress in generation tasks across various modalities and have recently found applications in predictive learning. However, unlike typical generation tasks that encourage sample…

Computer Vision and Pattern Recognition · Computer Science 2026-03-24 Yu Zhang , Xingzhuo Guo , Haoran Xu , Jialong Wu , Mingsheng Long

Chance constrained programming (CCP) is a powerful framework for addressing optimization problems under uncertainty. In this paper, we introduce a novel Gradient-Guided Diffusion-based Optimization framework, termed GGDOpt, which tackles…

Optimization and Control · Mathematics 2025-10-15 Boyang Zhang , Zhiguo Wang , Ya-Feng Liu

Classifier-Free Guidance (CFG) is a cornerstone of modern conditional diffusion models, yet its reliance on the fixed or heuristic dynamic guidance weight is predominantly empirical and overlooks the inherent dynamics of the diffusion…

Machine Learning · Computer Science 2026-05-21 Jiayang Gao , Tianyi Zheng , Jiayang Zou , Fengxiang Yang , Shice Liu , Luyao Fan , Zheyu Zhang , Hao Zhang , Jinwei Chen , Peng-Tao Jiang , Bo Li , Jia Wang

Video diffusion alignment has been heavily relied on scalar rewards. These rewards are typically derived from learned reward models in human preference datasets, requiring additional training and extensive collection. Moreover, scalar…

Computer Vision and Pattern Recognition · Computer Science 2026-03-18 Yifan Wang , Yanyu Li , Gordon Guocheng Qian , Sergey Tulyakov , Yun Fu , Anil Kag

Diffusion models are powerful generative models in continuous data domains such as image and video data. Discrete graph diffusion models (DGDMs) have recently extended them for graph generation, which are crucial in fields like molecule and…

Cryptography and Security · Computer Science 2025-03-11 Jiawen Wang , Samin Karim , Yuan Hong , Binghui Wang

Recent advances in diffusion-based generative models have shown incredible promise for zero shot image-to-image translation and editing. Most of these approaches work by combining or replacing network-specific features used in the…

Computer Vision and Pattern Recognition · Computer Science 2025-10-06 Zeqi Gu , Ethan Yang , Abe Davis
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