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We propose denoising diffusion variational inference (DDVI), a black-box variational inference algorithm for latent variable models which relies on diffusion models as flexible approximate posteriors. Specifically, our method introduces an…

Machine Learning · Computer Science 2026-03-16 Wasu Top Piriyakulkij , Yingheng Wang , Volodymyr Kuleshov

This paper investigates score-based diffusion models when the underlying target distribution is concentrated on or near low-dimensional manifolds within the higher-dimensional space in which they formally reside, a common characteristic of…

Machine Learning · Computer Science 2025-01-03 Gen Li , Yuling Yan

Radiotherapy treatment planning often relies on time-consuming, trial-and-error adjustments that heavily depend on the expertise of specialists, while existing deep learning methods face limitations in generalization, prediction accuracy,…

Computer Vision and Pattern Recognition · Computer Science 2026-01-06 Hui Xie , Haiqin Hu , Lijuan Ding , Qing Li , Yue Sun , Tao Tan

Diffusion models are generative models with impressive text-to-image synthesis capabilities and have spurred a new wave of creative methods for classical machine learning tasks. However, the best way to harness the perceptual knowledge of…

Computer Vision and Pattern Recognition · Computer Science 2024-04-02 Neehar Kondapaneni , Markus Marks , Manuel Knott , Rogerio Guimaraes , Pietro Perona

The diffusion model has shown success in generating high-quality and diverse solutions to trajectory optimization problems. However, diffusion models with neural networks inevitably make prediction errors, which leads to constraint…

Machine Learning · Computer Science 2024-06-04 Anjian Li , Zihan Ding , Adji Bousso Dieng , Ryne Beeson

Face anonymization aims to conceal identity information while preserving non-identity attributes. Mainstream diffusion models rely on inference-time interventions such as negative guidance or energy-based optimization, which are applied…

Computer Vision and Pattern Recognition · Computer Science 2025-10-29 Haoxin Yang , Yihong Lin , Jingdan Kang , Xuemiao Xu , Yue Li , Cheng Xu , Shengfeng He

Recent work has framed decision-making as a sequence modeling problem using generative models such as diffusion models. Although promising, these approaches often overlook latent factors that exhibit evolving dynamics, elements that are…

Machine Learning · Computer Science 2026-05-18 Fan Feng , Selena Ge , Minghao Fu , Zijian Li , Yujia Zheng , Zeyu Tang , Yingyao Hu , Biwei Huang , Kun Zhang

Cross-modal alignment is an effective approach to improving visual classification. Existing studies typically enforce a one-step mapping that uses deep neural networks to project the visual features to mimic the distribution of textual…

Computer Vision and Pattern Recognition · Computer Science 2025-05-27 Zixuan Li , Lei Meng , Guoqing Chao , Wei Wu , Xiaoshuo Yan , Yimeng Yang , Zhuang Qi , Xiangxu Meng

Three-dimensional molecular generators based on diffusion models can now reach near-crystallographic accuracy, yet they remain fragmented across tasks. SMILES-only inputs, two-stage pretrain-finetune pipelines, and one-task-one-model…

Biomolecules · Quantitative Biology 2025-07-11 Dong Xu , Zhangfan Yang , Sisi Yuan , Jenna Xinyi Yao , Jiangqiang Li , Junkai Ji

Diffusion models have recently emerged as effective generative frameworks for trajectory optimization, capable of producing high-quality and diverse solutions. However, training these models in a purely data-driven manner without explicit…

Robotics · Computer Science 2025-04-02 Anjian Li , Ryne Beeson

The first step in drug discovery is finding drug molecule moieties with medicinal activity against specific targets. Therefore, it is crucial to investigate the interaction between drug-target proteins and small chemical molecules. However,…

Biomolecules · Quantitative Biology 2022-11-15 Boyuan Liu

Over the past few years, self-supervised monocular depth estimation that does not depend on ground-truth during the training phase has received widespread attention. Most efforts focus on designing different types of network architectures…

Computer Vision and Pattern Recognition · Computer Science 2023-11-14 Shuwei Shao , Zhongcai Pei , Weihai Chen , Dingchi Sun , Peter C. Y. Chen , Zhengguo Li

Domain generalization (DG) task aims to learn a robust model from source domains that could handle the out-of-distribution (OOD) issue. In order to improve the generalization ability of the model in unseen domains, increasing the diversity…

Computer Vision and Pattern Recognition · Computer Science 2024-09-10 Shanshan Wang , ALuSi , Xun Yang , Ke Xu , Huibin Tan , Xingyi Zhang

Designing 3D ligands within a target binding site is a fundamental task in drug discovery. Existing structured-based drug design methods treat all ligand atoms equally, which ignores different roles of atoms in the ligand for drug design…

Biomolecules · Quantitative Biology 2024-03-14 Jiaqi Guan , Xiangxin Zhou , Yuwei Yang , Yu Bao , Jian Peng , Jianzhu Ma , Qiang Liu , Liang Wang , Quanquan Gu

Contemporary diffusion models built upon U-Net or Diffusion Transformer (DiT) architectures have revolutionized image generation through transformer-based attention mechanisms. The prevailing paradigm has commonly employed self-attention…

Computer Vision and Pattern Recognition · Computer Science 2025-05-01 ZiYi Dong , Chengxing Zhou , Weijian Deng , Pengxu Wei , Xiangyang Ji , Liang Lin

High Content Imaging (HCI) plays a vital role in modern drug discovery and development pipelines, facilitating various stages from hit identification to candidate drug characterization. Applying machine learning models to these datasets can…

Computer Vision and Pattern Recognition · Computer Science 2023-11-22 Johan Fredin Haslum , Christos Matsoukas , Karl-Johan Leuchowius , Kevin Smith

Beyond high-fidelity image synthesis, diffusion models have recently exhibited promising results in dense visual perception tasks. However, most existing work treats diffusion models as a standalone component for perception tasks, employing…

Computer Vision and Pattern Recognition · Computer Science 2025-12-18 Shuhong Zheng , Zhipeng Bao , Ruoyu Zhao , Martial Hebert , Yu-Xiong Wang

In many real-world regression tasks, the data distribution is heavily skewed, and models learn predominantly from abundant majority samples while failing to predict minority labels accurately. While imbalanced classification has been…

Machine Learning · Computer Science 2025-09-30 Shayan Alahyari

Domain Adaptation(DA) for dense prediction tasks is an important topic, which enhances the dense prediction model's performance when tested on its unseen domain. Recently, with the development of Diffusion-based Dense Prediction (DDP)…

Computer Vision and Pattern Recognition · Computer Science 2025-07-01 Hang Xu , Jie Huang , Linjiang Huang , Dong Li , Yidi Liu , Feng Zhao

Discrete diffusion models have emerged as a promising direction for vision-language tasks, offering bidirectional context modeling and theoretical parallelization. However, their practical application is severely hindered by a…

Computation and Language · Computer Science 2025-10-24 Yatai Ji , Teng Wang , Yuying Ge , Zhiheng Liu , Sidi Yang , Ying Shan , Ping Luo