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Predicting drug-target affinity is fundamental to virtual screening and lead optimization. However, existing deep models often suffer from representation collapse in stringent cold-start regimes, where the scarcity of labels and domain…

Machine Learning · Statistics 2026-03-13 Yining Qian , Pengjie Wang , Yixiao Li , An-Yang Lu , Cheng Tan , Shuang Li , Lijun Liu

Taming diffusion models for generative segmentation has attracted increasing attention. While existing approaches primarily focus on architectural tweaks or training heuristics, there remains a limited understanding of the intrinsic…

Computer Vision and Pattern Recognition · Computer Science 2026-03-20 Chaoyang Wang , Yaobo Liang , Boci Peng , Fan Duan , Jingdong Wang , Yunhai Tong

Score-based generative models, which transform noise into data by learning to reverse a diffusion process, have become a cornerstone of modern generative AI. This paper contributes to establishing theoretical guarantees for the probability…

Machine Learning · Statistics 2025-02-03 Jiaqi Tang , Yuling Yan

Diffusion models have emerged from various theoretical and methodological perspectives, each offering unique insights into their underlying principles. In this work, we provide an overview of the most prominent approaches, drawing attention…

Machine Learning · Computer Science 2024-09-04 Solveig Klepper

We consider a class of conditional forward-backward diffusion models for conditional generative modeling, that is, generating new data given a covariate (or control variable). To formally study the theoretical properties of these…

Statistics Theory · Mathematics 2024-10-01 Rong Tang , Lizhen Lin , Yun Yang

In recent years, the field of image generation has witnessed significant advancements, particularly in fine-tuning methods that align models with universal human preferences. This paper explores the critical role of preference data in the…

Computer Vision and Pattern Recognition · Computer Science 2025-03-24 Lingfan Zhang , Chen Liu , Chengming Xu , Kai Hu , Donghao Luo , Chengjie Wang , Yanwei Fu , Yuan Yao

Recent methods have shown that pre-trained diffusion models can be fine-tuned to enable generative inverse rendering by learning image-conditioned noise-to-intrinsic mapping. Despite their remarkable progress, they struggle to robustly…

Computer Vision and Pattern Recognition · Computer Science 2025-07-15 Rongjia Zheng , Qing Zhang , Chengjiang Long , Wei-Shi Zheng

We introduce novel estimators for computing the curvature, tangent spaces, and dimension of data from manifolds, using tools from diffusion geometry. Although classical Riemannian geometry is a rich source of inspiration for geometric data…

Differential Geometry · Mathematics 2026-02-13 Iolo Jones

Object detectors often suffer a decrease in performance due to the large domain gap between the training data (source domain) and real-world data (target domain). Diffusion-based generative models have shown remarkable abilities in…

Computer Vision and Pattern Recognition · Computer Science 2025-06-05 Boyong He , Yuxiang Ji , Zhuoyue Tan , Liaoni Wu

We study counterfactual distribution learning for high-dimensional outcomes whose counterfactual law may concentrate near lower-dimensional structure. Standard isotropic smoothing treats all ambient directions equally, leading to…

Methodology · Statistics 2026-05-26 Kwangho Kim

Diffusion models generate high-dimensional data with remarkable quality, yet how their training efficiently learns the score function, bypassing the curse of dimensionality when data is supported on low-dimensional manifolds, remains…

Machine Learning · Computer Science 2026-05-21 Wei Huang , Andi Han , Mingyuan Bai , Huanjian Zhou , Qixin Zhang , Taiji Suzuki , Kenji Fukumizu

Dynamical systems are frequently used to model biological systems. When these models are fit to data it is necessary to ascertain the uncertainty in the model fit. Here we present prediction deviation, a new metric of uncertainty that…

Applications · Statistics 2017-06-08 Benjamin Letham , Portia A. Letham , Cynthia Rudin , Edward P. Browne

Diffusion-based algorithms have emerged as promising techniques for weight generation. However, existing solutions are limited by two challenges: generalizability and local target assignment. The former arises from the inherent lack of…

Machine Learning · Computer Science 2025-05-20 Yunchuan Guan , Yu Liu , Ke Zhou , Zhiqi Shen , Jenq-Neng Hwang , Lei Li

Dimension reduction is often the first step in statistical modeling or prediction of multivariate spatial data. However, most existing dimension reduction techniques do not account for the spatial correlation between observations and do not…

Methodology · Statistics 2025-05-27 Si Cheng , Magali N. Blanco , Timothy V. Larson , Lianne Sheppard , Adam Szpiro , Ali Shojaie

Predicting counterfactual distributions in complex dynamical systems is essential for scientific modeling and decision-making in domains such as public health and medicine. However, existing methods often rely on point estimates or purely…

Machine Learning · Computer Science 2025-09-15 Wenhao Mu , Zhi Cao , Mehmed Uludag , Alexander Rodríguez

Recently, researchers have proposed various deep learning methods to accurately detect infrared targets with the characteristics of indistinct shape and texture. Due to the limited variety of infrared datasets, training deep learning models…

Computer Vision and Pattern Recognition · Computer Science 2024-06-04 Yukai Shi , Yupei Lin , Pengxu Wei , Xiaoyu Xian , Tianshui Chen , Liang Lin

Denoising diffusion probabilistic models are currently becoming the leading paradigm of generative modeling for many important data modalities. Being the most prevalent in the computer vision community, diffusion models have also recently…

Machine Learning · Computer Science 2024-10-08 Akim Kotelnikov , Dmitry Baranchuk , Ivan Rubachev , Artem Babenko

Diffusion models have recently achieved great success in the synthesis of high-quality images and videos. However, the existing denoising techniques in diffusion models are commonly based on step-by-step noise predictions, which suffers…

Computer Vision and Pattern Recognition · Computer Science 2024-10-15 Hancheng Ye , Jiakang Yuan , Renqiu Xia , Xiangchao Yan , Tao Chen , Junchi Yan , Botian Shi , Bo Zhang

This paper investigates the scaling properties of autoregressive next-pixel prediction, a simple, end-to-end yet under-explored framework for unified vision models. Starting with images at resolutions of 32x32, we train a family of…

Computer Vision and Pattern Recognition · Computer Science 2026-05-19 Xinchen Yan , Chen Liang , Lijun Yu , Adams Wei Yu , Yifeng Lu , Quoc V. Le

Time series are ubiquitous in many applications that involve forecasting, classification and causal inference tasks, such as healthcare, finance, audio signal processing and climate sciences. Still, large, high-quality time series datasets…

Machine Learning · Computer Science 2025-11-25 Yu-Hsiang Wang , Olgica Milenkovic
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