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Molecular dynamics (MD) is a powerful technique for studying microscopic phenomena, but its computational cost has driven significant interest in the development of deep learning-based surrogate models. We introduce generative modeling of…

Biomolecules · Quantitative Biology 2024-09-27 Bowen Jing , Hannes Stärk , Tommi Jaakkola , Bonnie Berger

Graph Neural Networks (GNNs) are powerful tools for learning from graph-structured data, but their scalability is increasingly strained by the size of real-world graphs in domains like recommender systems, fraud detection, and molecular…

Machine Learning · Computer Science 2026-05-22 Mridul Gupta , Samyak Jain , Vansh Ramani , Hariprasad Kodamana , Sayan Ranu

The estimation of unknown values of parameters (or hidden variables, control variables) that characterise a physical system often relies on the comparison of measured data with synthetic data produced by some numerical simulator of the…

Machine Learning · Computer Science 2019-01-28 Xi Chen , Mike Hobson

The ultimate goal of Dataset Distillation is to synthesize a small synthetic dataset such that a model trained on this synthetic set will perform equally well as a model trained on the full, real dataset. Until now, no method of Dataset…

Computer Vision and Pattern Recognition · Computer Science 2024-03-19 Ziyao Guo , Kai Wang , George Cazenavette , Hui Li , Kaipeng Zhang , Yang You

Dataset Condensation is a newly emerging technique aiming at learning a tiny dataset that captures the rich information encoded in the original dataset. As the size of datasets contemporary machine learning models rely on becomes…

Machine Learning · Computer Science 2022-10-18 Justin Cui , Ruochen Wang , Si Si , Cho-Jui Hsieh

Group-based trajectory modeling (GBTM) is commonly used to identify longitudinal patterns in health outcomes among older adults, with determining the optimal number of groups being a crucial step. While statistically grounded criteria are…

Applications · Statistics 2025-06-24 Yi-Chen Hsiao , Chun-Yuan Chen , Mei-Fen Tang

Detecting symmetry from data is a fundamental problem in signal analysis, providing insight into underlying structure and constraints. When data emerge as trajectories of dynamical systems, symmetries encode structural properties of the…

Machine Learning · Statistics 2025-10-21 Ziad Ghanem , Chang Hyunwoong , Preskella Mrad

We introduce Masked Trajectory Models (MTM) as a generic abstraction for sequential decision making. MTM takes a trajectory, such as a state-action sequence, and aims to reconstruct the trajectory conditioned on random subsets of the same…

Machine Learning · Computer Science 2023-05-05 Philipp Wu , Arjun Majumdar , Kevin Stone , Yixin Lin , Igor Mordatch , Pieter Abbeel , Aravind Rajeswaran

Training state-of-the-art (SOTA) deep models often requires extensive data, resulting in substantial training and storage costs. To address these challenges, dataset condensation has been developed to learn a small synthetic set that…

Computer Vision and Pattern Recognition · Computer Science 2024-02-27 Hansong Zhang , Shikun Li , Pengju Wang , Dan Zeng , Shiming Ge

Synthetic molecular dynamics (synMD) trajectories from learned generative models have been proposed as a useful addition to the biomolecular simulation toolbox. The computational expense of explicitly integrating the equations of motion in…

Computational Physics · Physics 2022-05-05 John D. Russo , Daniel M. Zuckerman

The analysis of physiological processes over time are often given by spectrometric or gene expression profiles over time with only few time points but a large number of measured variables. The analysis of such temporal sequences is…

Machine Learning · Computer Science 2011-10-12 F. -M. Schleif , A. Gisbrecht , B. Hammer

With the proliferation of location-tracking technologies, massive volumes of trajectory data are continuously being collected. As a fundamental task in trajectory data mining, trajectory similarity computation plays a critical role in a…

Machine Learning · Computer Science 2025-06-23 Xiao Zhang , Xingyu Zhao , Hong Xia , Yuan Cao , Guiyuan Jiang , Junyu Dong , Yanwei Yu

With the increasing computation of training graph neural networks (GNNs) on large-scale graphs, graph condensation (GC) has emerged as a promising solution to synthesize a compact, substitute graph of the large-scale original graph for…

Machine Learning · Computer Science 2025-10-09 Xinyi Gao , Yayong Li , Tong Chen , Guanhua Ye , Wentao Zhang , Hongzhi Yin

Trajectory representation learning plays a pivotal role in supporting various downstream tasks. Traditional methods in order to filter the noise in GPS trajectories tend to focus on routing-based methods used to simplify the trajectories.…

Machine Learning · Computer Science 2024-02-28 Zhipeng Ma , Zheyan Tu , Xinhai Chen , Yan Zhang , Deguo Xia , Guyue Zhou , Yilun Chen , Yu Zheng , Jiangtao Gong

With the popularization of different kinds of smart terminals and the development of autonomous driving technology, more and more services based on spatio-temporal data have emerged in our lives, such as online taxi services, traffic flow…

Cryptography and Security · Computer Science 2023-10-10 Zechen Liu , Wei Song , Yuhan Wang

The ability to retrieve semantically and directionally similar short-range trajectories with both accuracy and efficiency is foundational for downstream applications such as motion forecasting and autonomous navigation. However, prevailing…

Computer Vision and Pattern Recognition · Computer Science 2025-06-04 Abhishek Vivekanandan , Christian Hubschneider , J. Marius Zöllner

Latent Consistency Model (LCM) extends the Consistency Model to the latent space and leverages the guided consistency distillation technique to achieve impressive performance in accelerating text-to-image synthesis. However, we observed…

Computer Vision and Pattern Recognition · Computer Science 2024-04-16 Jianbin Zheng , Minghui Hu , Zhongyi Fan , Chaoyue Wang , Changxing Ding , Dacheng Tao , Tat-Jen Cham

We propose a solution of the multiple target tracking (MTT) problem based on sets of trajectories and the random finite set framework. A full Bayesian approach to MTT should characterise the distribution of the trajectories given the…

Computer Vision and Pattern Recognition · Computer Science 2020-06-12 Ángel F. García-Fernández , Lennart Svensson , Mark R. Morelande

How to extract as much learning signal from each trajectory data has been a key problem in reinforcement learning (RL), where sample inefficiency has posed serious challenges for practical applications. Recent works have shown that using…

Machine Learning · Computer Science 2022-02-07 Hiroki Furuta , Yutaka Matsuo , Shixiang Shane Gu

Previous works have attempted to improve tracking efficiency through lightweight architecture design or knowledge distillation from teacher models to compact student trackers. However, these solutions often sacrifice accuracy for speed to a…

Computer Vision and Pattern Recognition · Computer Science 2025-07-01 Lingyi Hong , Jinglun Li , Xinyu Zhou , Shilin Yan , Pinxue Guo , Kaixun Jiang , Zhaoyu Chen , Shuyong Gao , Runze Li , Xingdong Sheng , Wei Zhang , Hong Lu , Wenqiang Zhang