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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

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

Diffusion models achieve great success in generating diverse and high-fidelity images, yet their widespread application, especially in real-time scenarios, is hampered by their inherently slow generation speed. The slow generation stems…

Computer Vision and Pattern Recognition · Computer Science 2024-08-19 Shengkun Tang , Yaqing Wang , Caiwen Ding , Yi Liang , Yao Li , Dongkuan Xu

This paper introduces innovative solutions to enhance spatial controllability in diffusion models reliant on text queries. We first introduce vision guidance as a foundational spatial cue within the perturbed distribution. This…

Computer Vision and Pattern Recognition · Computer Science 2024-12-02 Zipeng Qi , Guoxi Huang , Chenyang Liu , Fei Ye

Classical search algorithms have long underpinned modern artificial intelligence. In this work, we tackle the challenge of inference-time control in diffusion models -- adapting generated outputs to meet diverse test-time objectives --…

Machine Learning · Computer Science 2025-10-07 Xiangcheng Zhang , Haowei Lin , Haotian Ye , James Zou , Jianzhu Ma , Yitao Liang , Yilun Du

Although neural networks achieve promising performance in many tasks, they may still fail when encountering some examples and bring about risks to applications. To discover risky samples, previous literature attempts to search for patterns…

Machine Learning · Computer Science 2025-12-23 Han Yu , Hao Zou , Xingxuan Zhang , Zhengyi Wang , Yue He , Kehan Li , Peng Cui

Brain network analysis has emerged as pivotal method for gaining a deeper understanding of brain functions and disease mechanisms. Despite the existence of various network construction approaches, shortcomings persist in the learning of…

Computer Vision and Pattern Recognition · Computer Science 2023-11-10 Yongcheng Zong , Shuqiang Wang

Diffusion models are emerging expressive generative models, in which a large number of time steps (inference steps) are required for a single image generation. To accelerate such tedious process, reducing steps uniformly is considered as an…

Computer Vision and Pattern Recognition · Computer Science 2023-09-26 Lijiang Li , Huixia Li , Xiawu Zheng , Jie Wu , Xuefeng Xiao , Rui Wang , Min Zheng , Xin Pan , Fei Chao , Rongrong Ji

We introduce a novel score-based diffusion framework named Twigs that incorporates multiple co-evolving flows for enriching conditional generation tasks. Specifically, a central or trunk diffusion process is associated with a primary…

Machine Learning · Computer Science 2024-11-01 Giangiacomo Mercatali , Yogesh Verma , Andre Freitas , Vikas Garg

Graph generation addresses the problem of generating new graphs that have a data distribution similar to real-world graphs. While previous diffusion-based graph generation methods have shown promising results, they often struggle to scale…

Machine Learning · Computer Science 2025-05-28 Tobias Bernecker , Ghalia Rehawi , Francesco Paolo Casale , Janine Knauer-Arloth , Annalisa Marsico

Autoregressive models excel in efficiency and plug directly into the transformer ecosystem, delivering robust generalization, predictable scalability, and seamless workflows such as fine-tuning and parallelized training. However, they…

Machine Learning · Computer Science 2025-06-13 Samuel Belkadi , Steve Hong , Marian Chen , Miruna Cretu , Charles Harris , Pietro Lio

Synthesizing high-quality tabular data is an important topic in many data science tasks, ranging from dataset augmentation to privacy protection. However, developing expressive generative models for tabular data is challenging due to its…

Machine Learning · Computer Science 2025-02-18 Juntong Shi , Minkai Xu , Harper Hua , Hengrui Zhang , Stefano Ermon , Jure Leskovec

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

Finding frequently occurring subgraph patterns or network motifs in neural architectures is crucial for optimizing efficiency, accelerating design, and uncovering structural insights. However, as the subgraph size increases,…

Machine Learning · Computer Science 2026-02-04 Yikang Yang , Zhengxin Yang , Minghao Luo , Luzhou Peng , Hongxiao Li , Wanling Gao , Lei Wang , Jianfeng Zhan

Despite the success of generating high-quality images given any text prompts by diffusion-based generative models, prior works directly generate the entire images, but cannot provide object-wise manipulation capability. To support wider…

Computer Vision and Pattern Recognition · Computer Science 2024-03-19 Runhui Huang , Kaixin Cai , Jianhua Han , Xiaodan Liang , Renjing Pei , Guansong Lu , Songcen Xu , Wei Zhang , Hang Xu

Generative models have recently undergone significant advancement due to the diffusion models. The success of these models can be often attributed to their use of guidance techniques, such as classifier or classifier-free guidance, which…

Computer Vision and Pattern Recognition · Computer Science 2023-01-31 Gyeongnyeon Kim , Wooseok Jang , Gyuseong Lee , Susung Hong , Junyoung Seo , Seungryong Kim

Diffusion models have achieved unprecedented performance in image generation, yet they suffer from slow inference due to their iterative sampling process. To address this, early-exiting has recently been proposed, where the depth of the…

Computer Vision and Pattern Recognition · Computer Science 2024-12-06 Daniel Gallo Fernández , Răzvan-Andrei Matişan , Alejandro Monroy Muñoz , Ana-Maria Vasilcoiu , Janusz Partyka , Tin Hadži Veljković , Metod Jazbec

Diffusion-based generative graph models have been proven effective in generating high-quality small graphs. However, they need to be more scalable for generating large graphs containing thousands of nodes desiring graph statistics. In this…

Machine Learning · Computer Science 2023-06-01 Xiaohui Chen , Jiaxing He , Xu Han , Li-Ping Liu

Interior design is a complex and creative discipline involving aesthetics, functionality, ergonomics, and materials science. Effective solutions must meet diverse requirements, typically producing multiple deliverables such as renderings…

Computer Vision and Pattern Recognition · Computer Science 2025-06-24 Yuxuan Yang , Tao Geng

Network data analytics are now at the core of almost every networking solution. Nonetheless, limited access to networking data has been an enduring challenge due to many reasons including complexity of modern networks, commercial…

Networking and Internet Architecture · Computer Science 2023-10-10 Nirhoshan Sivaroopan , Dumindu Bandara , Chamara Madarasingha , Guilluame Jourjon , Anura Jayasumana , Kanchana Thilakarathna