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Effective generation of molecular structures, or new chemical entities, that bind to target proteins is crucial for lead identification and optimization in drug discovery. Despite advancements in atom- and motif-wise deep learning models…

Machine Learning · Computer Science 2025-03-04 Guanlue Li , Chenran Jiang , Ziqi Gao , Yu Liu , Chenyang Liu , Jiean Chen , Yong Huang , Jia Li

Real-time video analytics systems typically deploy lightweight models on edge devices to reduce latency. However, the distribution of data features may change over time due to various factors such as changing lighting and weather…

Computer Vision and Pattern Recognition · Computer Science 2025-10-28 Runchu Donga , Peng Zhao , Guiqin Wang , Nan Qi , Jie Lin

Diffusion language models enable parallel token generation through block-wise decoding, but their irreversible commitments can lead to stagnation, where the reverse diffusion process fails to make further progress under a suboptimal…

Computation and Language · Computer Science 2026-02-03 Xinyun Wang , Min Zhang , Sen Cui , Zhikang Chen , Bo Jiang , Kun Kuang , Mingbao Lin

Recent hybrid video generation models combine autoregressive temporal dynamics with diffusion-based spatial denoising, but their sequential, iterative nature leads to error accumulation and long inference times. In this work, we propose a…

Computer Vision and Pattern Recognition · Computer Science 2026-03-19 Yongqi Yang , Huayang Huang , Xu Peng , Xiaobin Hu , Donghao Luo , Jiangning Zhang , Chengjie Wang , Yu Wu

Diffusion models (DMs) have achieved state-of-the-art generative performance but suffer from high sampling latency due to their sequential denoising nature. Existing solver-based acceleration methods often face image quality degradation…

Computer Vision and Pattern Recognition · Computer Science 2025-07-22 Beier Zhu , Ruoyu Wang , Tong Zhao , Hanwang Zhang , Chi Zhang

Strong generative models can accurately learn channel distributions. This could save recurring costs for physical measurements of the channel. Moreover, the resulting differentiable channel model supports training neural encoders by…

Information Theory · Computer Science 2024-06-12 Muah Kim , Rick Fritschek , Rafael F. Schaefer

Combining neuroimaging datasets from multiple sites and scanners can help increase statistical power and thus provide greater insight into subtle neuroanatomical effects. However, site-specific effects pose a challenge by potentially…

Computer Vision and Pattern Recognition · Computer Science 2024-08-29 Ayodeji Ijishakin , Ana Lawry Aguila , Elizabeth Levitis , Ahmed Abdulaal , Andre Altmann , James Cole

Diffusion models have shown superior performance on unsupervised anomaly detection tasks. Since trained with normal data only, diffusion models tend to reconstruct normal counterparts of test images with certain noises added. However, these…

Computer Vision and Pattern Recognition · Computer Science 2024-09-10 Hang Yao , Ming Liu , Haolin Wang , Zhicun Yin , Zifei Yan , Xiaopeng Hong , Wangmeng Zuo

Recently developed deep neural models like NetGAN, CELL, and Variational Graph Autoencoders have made progress but face limitations in replicating key graph statistics on generating large graphs. Diffusion-based methods have emerged as…

Machine Learning · Computer Science 2023-10-31 Mingyang Wu , Xiaohui Chen , Li-Ping Liu

Recent advances in self-supervised learning for EEG representation have largely relied on masked reconstruction, where models are trained to recover randomly masked signal segments. While effective at modeling local dependencies, such…

Machine Learning · Computer Science 2026-04-17 Shaocong Wang , Tong Liu , Yihan Li , Ming Li , Kairui Wen , Pei Yang , Wenqi Ji , Minjing Yu , Yong-Jin Liu

Denoising diffusion probabilistic models (DDPMs) have pioneered new state-of-the-art results in disciplines such as computer vision and computational biology for diverse tasks ranging from text-guided image generation to structure-guided…

Machine Learning · Computer Science 2024-05-28 Alex Morehead , Jianlin Cheng

Despite remarkable progress in autoregressive language models, alternative generative paradigms beyond left-to-right generation are still being actively explored. Discrete diffusion models, with the capacity for parallel generation, have…

Computation and Language · Computer Science 2025-03-10 Minkai Xu , Tomas Geffner , Karsten Kreis , Weili Nie , Yilun Xu , Jure Leskovec , Stefano Ermon , Arash Vahdat

Distributed stochastic optimization algorithms can simultaneously process large-scale datasets, significantly accelerating model training. However, their effectiveness is often hindered by the sparsity of distributed networks and data…

Machine Learning · Computer Science 2025-02-14 Yuchen Hu , Xi Chen , Weidong Liu , Xiaojun Mao

Graph-structured data jointly contain discrete topology and continuous geometry, which poses fundamental challenges for generative modeling due to heterogeneous distributions, incompatible noise dynamics, and the need for equivariant…

Machine Learning · Computer Science 2026-04-10 Rongjian Xu , Teng Pang , Zhiqiang Dong , Guoqiang Wu

De novo 3D molecule generation is a pivotal task in drug discovery. However, many recent geometric generative models struggle to produce high-quality 3D structures, even if they maintain 2D validity and topological stability. To tackle this…

Machine Learning · Computer Science 2025-05-27 Danny Reidenbach , Filipp Nikitin , Olexandr Isayev , Saee Paliwal

We introduce a new class of generative diffusion models that, unlike conventional denoising diffusion models, achieve a time-homogeneous structure for both the noising and denoising processes, allowing the number of steps to adaptively…

Machine Learning · Statistics 2026-01-23 Sören Christensen , Jan Kallsen , Claudia Strauch , Lukas Trottner

Machine learning models struggle with generalization when encountering out-of-distribution (OOD) samples with unexpected distribution shifts. For vision tasks, recent studies have shown that test-time adaptation employing diffusion models…

Computer Vision and Pattern Recognition · Computer Science 2024-04-03 Yun-Yun Tsai , Fu-Chen Chen , Albert Y. C. Chen , Junfeng Yang , Che-Chun Su , Min Sun , Cheng-Hao Kuo

In recent years traditional numerical methods for accurate weather prediction have been increasingly challenged by deep learning methods. Numerous historical datasets used for short and medium-range weather forecasts are typically organized…

Machine Learning · Computer Science 2023-09-06 Andrea Asperti , Fabio Merizzi , Alberto Paparella , Giorgio Pedrazzi , Matteo Angelinelli , Stefano Colamonaco

Generative modeling frameworks have emerged as an effective approach to capture high-dimensional image distributions from large datasets without requiring domain-specific knowledge, a capability essential for longitudinal disease…

Computer Vision and Pattern Recognition · Computer Science 2025-11-11 Ayantika Das , Arunima Sarkar , Keerthi Ram , Mohanasankar Sivaprakasam

Many processes in biology and drug discovery involve various 3D interactions between molecules, such as protein and protein, protein and small molecule, etc. Given that different molecules are usually represented in different granularity,…

Machine Learning · Computer Science 2024-05-31 Xiangzhe Kong , Wenbing Huang , Yang Liu