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Single-particle tracking (SPT) has become a popular tool to study the intracellular transport of molecules in living cells. Inferring the character of their dynamics is important, because it determines the organization and functions of the…

Quantitative Methods · Quantitative Biology 2020-09-09 Joanna Janczura , Patrycja Kowalek , Hanna Loch-Olszewska , Janusz Szwabiński , Aleksander Weron

Agent-Based Models (ABMs) are powerful tools for studying emergent properties in complex systems. In ABMs, agent behaviors are governed by local interactions and stochastic rules. However, these rules are, in general, non-differentiable,…

Artificial Intelligence · Computer Science 2025-11-27 Francesco Cozzi , Marco Pangallo , Alan Perotti , André Panisson , Corrado Monti

Graphs are ubiquitous data structures for representing interactions between entities. With an emphasis on the use of graphs to represent chemical molecules, we explore the task of learning to generate graphs that conform to a distribution…

Machine Learning · Computer Science 2019-03-08 Qi Liu , Miltiadis Allamanis , Marc Brockschmidt , Alexander L. Gaunt

Simulations of complex physical systems are typically realized by discretizing partial differential equations (PDEs) on unstructured meshes. While neural networks have recently been explored for surrogate and reduced order modeling of PDE…

Machine Learning · Computer Science 2021-10-27 Jiayang Xu , Aniruddhe Pradhan , Karthik Duraisamy

This paper addresses the problem of traffic prediction in distributed backend systems and proposes a graph neural network based modeling approach to overcome the limitations of traditional models in capturing complex dependencies and…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-20 Zhimin Qiu , Feng Liu , Yuxiao Wang , Chenrui Hu , Ziyu Cheng , Di Wu

In autonomous driving, navigation through unsignaled intersections with many traffic participants moving around is a challenging task. To provide a solution to this problem, we propose a novel branched network G-CIL for the navigation…

Robotics · Computer Science 2021-02-02 Xiaodong Mei , Yuxiang Sun , Yuying Chen , Congcong Liu , Ming Liu

This paper proposes a graph-based approach to representing spatio-temporal trajectory data that allows an effective visualization and characterization of city-wide traffic dynamics. With the advance of sensor, mobile, and Internet of Things…

Machine Learning · Computer Science 2022-12-07 Jiwon Kim , Kai Zheng , Jonathan Corcoran , Sanghyung Ahn , Marty Papamanolis

A profound understanding of inter-agent relationships and motion behaviors is important to achieve high-quality planning when navigating in complex scenarios, especially at urban traffic intersections. We present a trajectory prediction…

Computer Vision and Pattern Recognition · Computer Science 2022-07-22 Yuzhen Zhang , Wentong Wang , Weizhi Guo , Pei Lv , Mingliang Xu , Wei Chen , Dinesh Manocha

We address the problem of forecasting pedestrian and vehicle trajectories in unknown environments, conditioned on their past motion and scene structure. Trajectory forecasting is a challenging problem due to the large variation in scene…

Computer Vision and Pattern Recognition · Computer Science 2021-04-30 Nachiket Deo , Mohan M. Trivedi

Real-world scenarios demand reasoning about process, more than final outcome prediction, to discover latent causal chains and better understand complex systems. It requires the learning algorithms to offer both accurate predictions and…

Artificial Intelligence · Computer Science 2019-01-09 Xiaoran Xu , Songpeng Zu , Chengliang Gao , Yuan Zhang , Wei Feng

In the field of conditional autonomous driving technology, driver perceived risk prediction plays a crucial role in reducing traffic risks and ensuring passenger safety. This study introduces an innovative perceived risk prediction model…

Human-Computer Interaction · Computer Science 2025-03-07 Chenhao Yang , Siwei Huang , Chuan Hu

When planning with an inaccurate dynamics model, a practical strategy is to restrict planning to regions of state-action space where the model is accurate: also known as a \textit{model precondition}. Empirical real-world trajectory data is…

Robotics · Computer Science 2024-04-24 Alex LaGrassa , Moonyoung Lee , Oliver Kroemer

Developing safe human-robot interaction systems is a necessary step towards the widespread integration of autonomous agents in society. A key component of such systems is the ability to reason about the many potential futures (e.g.…

Robotics · Computer Science 2019-08-27 Boris Ivanovic , Marco Pavone

Many real-world objects can be modeled as a stream of events on the nodes of a graph. In this paper, we propose a class of graphical event models named temporal point process graphical models for representing the temporal dependencies among…

Methodology · Statistics 2021-10-25 Yalong Lyu , Huiyuan Wang , Wei Lin

Being able to safely operate for extended periods of time in dynamic environments is a critical capability for autonomous systems. This generally involves the prediction and understanding of motion patterns of dynamic entities, such as…

Robotics · Computer Science 2019-09-26 Weiming Zhi , Tin Lai , Lionel Ott , Gilad Francis , Fabio Ramos

Predicting future trajectories of surrounding obstacles is a crucial task for autonomous driving cars to achieve a high degree of road safety. There are several challenges in trajectory prediction in real-world traffic scenarios, including…

Computer Vision and Pattern Recognition · Computer Science 2021-03-31 Bo Dong , Hao Liu , Yu Bai , Jinbiao Lin , Zhuoran Xu , Xinyu Xu , Qi Kong

Human behavior prediction models enable robots to anticipate how humans may react to their actions, and hence are instrumental to devising safe and proactive robot planning algorithms. However, modeling complex interaction dynamics and…

Robotics · Computer Science 2020-11-24 Boris Ivanovic , Karen Leung , Edward Schmerling , Marco Pavone

Accurately modeling crack propagation is critical for predicting failure in engineering materials and structures, where small cracks can rapidly evolve and cause catastrophic damage. The interaction of cracks with discontinuities, such as…

Machine Learning · Computer Science 2025-09-12 Elham Kiyani , Venkatesh Ananchaperumal , Ahmad Peyvan , Mahendaran Uchimali , Gang Li , George Em Karniadakis

Graph transformers typically lack third-order interactions, limiting their geometric understanding which is crucial for tasks like molecular geometry prediction. We propose the Triplet Graph Transformer (TGT) that enables direct…

Machine Learning · Computer Science 2025-09-10 Md Shamim Hussain , Mohammed J. Zaki , Dharmashankar Subramanian

Trajectory optimization methods have achieved an exceptional level of performance on real-world robots in recent years. These methods heavily rely on accurate analytical models of the dynamics, yet some aspects of the physical world can…