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We train a neural network to predict distributional responses in gene expression following genetic perturbations. This is an essential task in early-stage drug discovery, where such responses can offer insights into gene function and inform…

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

Recent innovations in diffusion probabilistic models have paved the way for significant progress in image, text and audio generation, leading to their applications in generative time series forecasting. However, leveraging such abilities to…

Machine Learning · Computer Science 2025-11-07 Yuansan Liu , Sudanthi Wijewickrema , Dongting Hu , Christofer Bester , Stephen O'Leary , James Bailey

As multimodal data proliferates across diverse real-world applications, leveraging heterogeneous information such as texts and timestamps for accurate time series forecasting (TSF) has become a critical challenge. While diffusion models…

Machine Learning · Computer Science 2025-12-09 Da Zhang , Bingyu Li , Zhuyuan Zhao , Junyu Gao , Feiping Nie , Xuelong Li

We present TimeAutoDiff, a unified latent-diffusion framework for four fundamental time-series tasks: unconditional generation, missing-data imputation, forecasting, and time-varying-metadata conditional generation. The model natively…

Machine Learning · Computer Science 2025-12-09 Namjoon Suh , Yuning Yang , Din-Yin Hsieh , Qitong Luan , Shirong Xu , Shixiang Zhu , Guang Cheng

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

Understanding how cells respond to external stimuli is a central challenge in biomedical research and drug development. Current computational frameworks for modelling cellular responses remain restricted to two-dimensional representations,…

Computer Vision and Pattern Recognition · Computer Science 2025-10-27 Reed Naidoo , Matt De Vries , Olga Fourkioti , Vicky Bousgouni , Mar Arias-Garcia , Maria Portillo-Malumbres , Chris Bakal

This paper proposes DiffPF, a differentiable particle filter that leverages diffusion models for state estimation in dynamic systems. Unlike conventional differentiable particle filters, which require importance weighting and typically rely…

Robotics · Computer Science 2026-01-13 Ziyu Wan , Lin Zhao

Imputation of missing images via source-to-target modality translation can improve diversity in medical imaging protocols. A pervasive approach for synthesizing target images involves one-shot mapping through generative adversarial networks…

Image and Video Processing · Electrical Eng. & Systems 2023-04-03 Muzaffer Özbey , Onat Dalmaz , Salman UH Dar , Hasan A Bedel , Şaban Özturk , Alper Güngör , Tolga Çukur

AI-assisted protein design has emerged as a critical tool for advancing biotechnology, as deep generative models have demonstrated their reliability in this domain. However, most existing models primarily utilize protein sequence or…

Computational Engineering, Finance, and Science · Computer Science 2026-05-27 Changjian Zhou , Yuexi Qiu , Jia Song

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

Structure-based drug design (SBDD) is a critical task in drug discovery, requiring the generation of molecular information across two distinct modalities: discrete molecular graphs and continuous 3D coordinates. However, existing SBDD…

Computational Engineering, Finance, and Science · Computer Science 2025-03-28 Xiuyuan Hu , Guoqing Liu , Can Chen , Yang Zhao , Hao Zhang , Xue Liu

Understanding and controlling diffusion processes in complex networks is critical across domains ranging from epidemiology to information science. Here, we present ExDiff, an interactive and modular computational framework that integrates…

Social and Information Networks · Computer Science 2025-06-06 Annamaria Defilippo , Ugo Lomoio , Barbara Puccio , Pierangelo Veltri , Pietro Hiram Guzzi

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

Building a virtual cell capable of accurately simulating cellular behaviors in silico has long been a dream in computational biology. We introduce CellFlux, an image-generative model that simulates cellular morphology changes induced by…

Structure-based drug design (SBDD), which aims to generate molecules that can bind tightly to the target protein, is an essential problem in drug discovery, and previous approaches have achieved initial success. However, most existing…

Machine Learning · Computer Science 2024-04-04 Xinze Li , Penglei Wang , Tianfan Fu , Wenhao Gao , Chengtao Li , Leilei Shi , Junhong Liu

Self-supervised learning has proved effective for skeleton-based human action understanding. However, previous works either rely on contrastive learning that suffers false negative problems or are based on reconstruction that learns too…

Computer Vision and Pattern Recognition · Computer Science 2024-09-17 Lehong Wu , Lilang Lin , Jiahang Zhang , Yiyang Ma , Jiaying Liu

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

State-space models are a popular statistical framework for analysing sequential data. Within this framework, particle filters are often used to perform inference on non-linear state-space models. We introduce a new method, StateMixNN, that…

Machine Learning · Computer Science 2025-03-28 Benjamin Cox , Santiago Segarra , Victor Elvira

With the rapid development of imaging sensor technology in the field of remote sensing, multi-modal remote sensing data fusion has emerged as a crucial research direction for land cover classification tasks. While diffusion models have made…

Computer Vision and Pattern Recognition · Computer Science 2024-01-08 DaiXun Li , Weiying Xie , ZiXuan Wang , YiBing Lu , Yunsong Li , Leyuan Fang