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Reaction prediction is a fundamental problem in computational chemistry. Existing approaches typically generate a chemical reaction by sampling tokens or graph edits sequentially, conditioning on previously generated outputs. These…

Chemical Physics · Physics 2021-02-08 Hangrui Bi , Hengyi Wang , Chence Shi , Jian Tang

Data-driven methods are emerging as efficient alternatives to traditional numerical forecasting, offering fast inference and lower computational cost. Yet, for complex systems, long-term accuracy often deteriorates due to error…

Machine Learning · Computer Science 2025-09-03 Hao Zhou , Sibo Cheng

Event cameras hold significant promise for high-temporal-resolution (HTR) motion estimation. However, estimating event-based HTR optical flow faces two key challenges: the absence of HTR ground-truth data and the intrinsic sparsity of event…

Computer Vision and Pattern Recognition · Computer Science 2025-08-20 Qianang Zhou , Zhiyu Zhu , Junhui Hou , Yongjian Deng , Youfu Li , Junlin Xiong

New technologies such as Rectified Flow and Flow Matching have significantly improved the performance of generative models in the past two years, especially in terms of control accuracy, generation quality, and generation efficiency.…

Computer Vision and Pattern Recognition · Computer Science 2026-01-09 Sen Fang , Hongbin Zhong , Yalin Feng , Yanxin Zhang , Dimitris N. Metaxas

Data heterogeneity hinders clinical deployment of medical image analysis models, and generative data augmentation helps mitigate this issue. However, recent diffusion-based methods that synthesize image-mask pairs often ignore distribution…

Image and Video Processing · Electrical Eng. & Systems 2026-04-06 Jie Yang , Ziqi Ye , Aihua Ke , Jian Luo , Bo Cai , Xiaosong Wang

Flow Matching has recently emerged as a popular class of generative models for simulating a target distribution $\mu_1$ from samples drawn from a source distribution $\mu_0$. This framework relies on a fixed coupling between $\mu_0$ and…

Machine Learning · Computer Science 2026-05-12 Le-Tuyet-Nhi Pham , Giovanni Conforti , Zhenjie Ren , Alain Durmus

Existing generative models for time series forecasting often transform simple priors (typically Gaussian) into complex data distributions. However, their sampling initialization, independent of historical data, hinders the capture of…

Machine Learning · Computer Science 2025-08-12 Huibo Xu , Runlong Yu , Likang Wu , Xianquan Wang , Qi Liu

Recovering the camera motion and scene geometry from visual data is a fundamental problem in the field of computer vision. Its success in standard vision is attributed to the maturity of feature extraction, data association and multi-view…

Computer Vision and Pattern Recognition · Computer Science 2024-10-10 Zhongyang Ren , Bangyan Liao , Delei Kong , Jinghang Li , Peidong Liu , Laurent Kneip , Guillermo Gallego , Yi Zhou

The event camera is a novel bio-inspired vision sensor. When the brightness change exceeds the preset threshold, the sensor generates events asynchronously. The number of valid events directly affects the performance of event-based tasks,…

Computer Vision and Pattern Recognition · Computer Science 2022-08-24 Xijie Xiang , Lin Zhu , Jianing Li , Yonghong Tian , Tiejun Huang

Diffusion models have achieved remarkable success across various domains. However, their slow generation speed remains a critical challenge. Existing acceleration methods, while aiming to reduce steps, often compromise sample quality,…

Machine Learning · Computer Science 2025-03-26 Huiyang Shao , Xin Xia , Yuhong Yang , Yuxi Ren , Xing Wang , Xuefeng Xiao

Conformal Prediction offers a powerful framework for quantifying uncertainty in machine learning models, enabling the construction of prediction sets with finite-sample validity guarantees. While easily adaptable to non-probabilistic…

Machine Learning · Statistics 2024-11-27 Eshant English , Christoph Lippert

We propose Functional Flow Matching (FFM), a function-space generative model that generalizes the recently-introduced Flow Matching model to operate in infinite-dimensional spaces. Our approach works by first defining a path of probability…

Machine Learning · Computer Science 2023-12-07 Gavin Kerrigan , Giosue Migliorini , Padhraic Smyth

Language diffusion models aim to improve sampling speed and coherence over autoregressive LLMs. We introduce Neural Flow Diffusion Models for language generation, an extension of NFDM that enables the straightforward application of…

Computation and Language · Computer Science 2026-01-26 Nesta Midavaine , Christian A. Naesseth , Grigory Bartosh

Marked event data captures events by recording their continuous-valued occurrence timestamps along with their corresponding discrete-valued types. They have appeared in various real-world scenarios such as social media, financial…

Machine Learning · Computer Science 2024-10-28 Hui Chen , Xuhui Fan , Hengyu Liu , Longbing Cao

Generative models for sequential data often struggle with sparsely sampled and high-dimensional trajectories, typically reducing the learning of dynamics to pairwise transitions. We propose Interpolative Multi-Marginal Flow Matching…

Motion estimation is one of the core challenges in computer vision. With traditional dual-frame approaches, occlusions and out-of-view motions are a limiting factor, especially in the context of environmental perception for vehicles due to…

Computer Vision and Pattern Recognition · Computer Science 2020-11-05 René Schuster , Christian Unger , Didier Stricker

Event cameras such as DAVIS can simultaneously output high temporal resolution events and low frame-rate intensity images, which own great potential in capturing scene motion, such as optical flow estimation. Most of the existing optical…

Computer Vision and Pattern Recognition · Computer Science 2022-11-18 Zhexiong Wan , Yuchao Dai , Yuxin Mao

Flow-based models have proven successful for time-series generation, particularly when defined in lower-dimensional latent spaces that enable efficient sampling. However, how to design latent representations with desirable equivariance…

Machine Learning · Computer Science 2026-02-02 Camilo Carvajal Reyes , Felipe Tobar

Generative models, particularly diffusion model, have emerged as powerful tools for sequential recommendation. However, accurately modeling user preferences remains challenging due to the noise perturbations inherent in the forward and…

Information Retrieval · Computer Science 2025-05-23 Feng Liu , Lixin Zou , Xiangyu Zhao , Min Tang , Liming Dong , Dan Luo , Xiangyang Luo , Chenliang Li

The growing integration of machine learning (ML) and artificial intelligence (AI) models into high-stakes domains such as healthcare and scientific research calls for models that are not only accurate but also interpretable. Among the…

Machine Learning · Computer Science 2025-10-23 Zhuo Cao , Xuan Zhao , Lena Krieger , Hanno Scharr , Ira Assent