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A central goal in systems biology and drug discovery is to predict the transcriptional response of cells to perturbations. This task is challenging due to the noisy and sparse nature of single-cell measurements, as well as the fact that…

Quantitative Methods · Quantitative Biology 2026-02-10 Chenglei Yu , Chuanrui Wang , Bangyan Liao , Tailin Wu

Predicting drug-induced cellular state changes at single-cell resolution remains a central challenge in virtual cell modeling, particularly under out-of-distribution (OOD) conditions. Current approaches predominantly rely on RNA-based…

Genomics · Quantitative Biology 2026-05-18 Peiting Shi , Ningfeng Que , Xianzhe Huang , Xiaofei Wang , Jianzhong Jeff Xi

Estimating single-cell responses across various perturbations facilitates the identification of key genes and enhances drug screening, significantly boosting experimental efficiency. However, single-cell sequencing is a destructive process,…

Machine Learning · Computer Science 2026-04-28 Changxi Chi , Jun Xia , Yufei Huang , Zhuoli Ouyang , Cheng Tan , Yunfan Liu , Jingbo Zhou , Chang Yu , Liangyu Yuan , Siyuan Li , Zelin Zang , Stan Z. Li

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 emerged as powerful generative frameworks by progressively adding noise to data through a forward process and then reversing this process to generate realistic samples. While these models have achieved strong…

Machine Learning · Computer Science 2025-03-04 Xingzhuo Guo , Yu Zhang , Baixu Chen , Haoran Xu , Jianmin Wang , Mingsheng Long

This paper introduces the Single-Cell Perturbation Prediction Diffusion Model (scPPDM), the first diffusion-based framework for single-cell drug-response prediction from scRNA-seq data. scPPDM couples two condition channels,…

Quantitative Methods · Quantitative Biology 2025-10-15 Zhaokang Liang , Shuyang Zhuang , Xiaoran Jiao , Weian Mao , Hao Chen , Chunhua Shen

Diffusion models have recently shown promise in time series forecasting, particularly for probabilistic predictions. However, they often fail to achieve state-of-the-art point estimation performance compared to regression-based methods.…

Artificial Intelligence · Computer Science 2025-11-25 Hang Ding , Xue Wang , Tian Zhou , Tao Yao

Survival analysis is a cornerstone of clinical research by modeling time-to-event outcomes such as metastasis, disease relapse, or patient death. Unlike standard tabular data, survival data often come with incomplete event information due…

Machine Learning · Computer Science 2026-02-06 Marie Brockschmidt , Maresa Schröder , Stefan Feuerriegel

This paper proposes a unified diffusion framework (dubbed UniDiffuser) to fit all distributions relevant to a set of multi-modal data in one model. Our key insight is -- learning diffusion models for marginal, conditional, and joint…

Machine Learning · Computer Science 2023-05-31 Fan Bao , Shen Nie , Kaiwen Xue , Chongxuan Li , Shi Pu , Yaole Wang , Gang Yue , Yue Cao , Hang Su , Jun Zhu

The sharing of microdata, such as fund holdings and derivative instruments, by regulatory institutions presents a unique challenge due to strict data confidentiality and privacy regulations. These challenges often hinder the ability of both…

Machine Learning · Computer Science 2023-09-06 Timur Sattarov , Marco Schreyer , Damian Borth

Uncertainty calibration in pre-trained transformers is critical for their reliable deployment in risk-sensitive applications. Yet, most existing pre-trained transformers do not have a principled mechanism for uncertainty propagation through…

We introduce OneDiffusion, a versatile, large-scale diffusion model that seamlessly supports bidirectional image synthesis and understanding across diverse tasks. It enables conditional generation from inputs such as text, depth, pose,…

Computer Vision and Pattern Recognition · Computer Science 2025-06-16 Duong H. Le , Tuan Pham , Sangho Lee , Christopher Clark , Aniruddha Kembhavi , Stephan Mandt , Ranjay Krishna , Jiasen Lu

Recent advances in generative modeling -- particularly diffusion models and flow matching -- have achieved remarkable success in synthesizing discrete data such as images and videos. However, adapting these models to physical applications…

Machine Learning · Computer Science 2025-11-26 Sifan Wang , Zehao Dou , Siming Shan , Tong-Rui Liu , Lu Lu

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

Perturbation screens hold the potential to systematically map regulatory processes at single-cell resolution, yet modeling and predicting transcriptome-wide responses to perturbations remains a major computational challenge. Existing…

Molecular Networks · Quantitative Biology 2026-01-26 Lars Lorch , Jiaqi Zhang , Charlotte Bunne , Andreas Krause , Bernhard Schölkopf , Caroline Uhler

The life of a cell is governed by highly dynamical microscopic processes. Two notable examples are the diffusion of membrane receptors and the kinetics of transcription factors governing the rates of gene expression. Different fluorescence…

Quantitative Methods · Quantitative Biology 2020-04-03 Maxime Woringer , Ignacio Izeddin , Cyril Favard , Hugues Berry

The Diffusion Probabilistic Model (DPM) has demonstrated remarkable performance across a variety of generative tasks. The inherent randomness in diffusion models helps address issues such as blurring at the edges of medical images and…

Image and Video Processing · Electrical Eng. & Systems 2025-07-25 Yilong Hu , Shijie Chang , Lihe Zhang , Feng Tian , Weibing Sun , Huchuan Lu

This paper introduces StructDiff, a generative framework based on a single-scale diffusion model for single-image generation. Single-image generation aims to synthesize diverse samples with similar visual content to the source image by…

Computer Vision and Pattern Recognition · Computer Science 2026-04-15 Yinxi He , Kang Liao , Chunyu Lin , Tianyi Wei , Yao Zhao

Recent advancements in image motion deblurring, driven by CNNs and transformers, have made significant progress. Large-scale pre-trained diffusion models, which are rich in real-world modeling, have shown great promise for high-quality…

Computer Vision and Pattern Recognition · Computer Science 2026-05-07 Xiaoyang Liu , Zhengyan Zhou , Zihang Xu , Jiezhang Cao , Zheng Chen , Yulun Zhang

Molecular representation learning has shown great success in advancing AI-based drug discovery. The core of many recent works is based on the fact that the 3D geometric structure of molecules provides essential information about their…

Machine Learning · Computer Science 2024-10-23 Jiying Zhang , Zijing Liu , Yu Wang , Yu Li
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