scholarly journals Understanding the geometry of transport: Diffusion maps for Lagrangian trajectory data unravel coherent sets

2017 ◽  
Vol 27 (3) ◽  
pp. 035804 ◽  
Author(s):  
Ralf Banisch ◽  
Péter Koltai
2020 ◽  
Author(s):  
David Wichmann ◽  
Christian Kehl ◽  
Henk A. Dijkstra ◽  
Erik van Sebille

Abstract. The detection of finite-time coherent particle sets in Lagrangian trajectory data using data clustering techniques is an active research field at the moment. Yet, the clustering methods mostly employed so far have been based on graph partitioning, which assigns each trajectory to a cluster, i.e. there is no concept of noisy, incoherent trajectories. This is problematic for applications to the ocean, where many small coherent eddies are present in a large fluid domain. In addition, to our knowledge none of the existing methods to detect finite-time coherent sets has an intrinsic notion of coherence hierarchy, i.e. the detection of finite-time coherent sets at different spatial scales. Such coherence hierarchies are present in the ocean, where basin scale coherence coexists with smaller coherent structures such as jets and mesoscale eddies. Here, for the first time in this context, we use the density-based clustering algorithm OPTICS (Ankerst et al., 1999) to detect finite-time coherent particle sets in Lagrangian trajectory data. Different from partition based clustering methods, OPTICS does not require to fix the number of clusters beforehand. Derived clustering results contain a concept of noise, such that not every trajectory needs to be part of a cluster. OPTICS also has a major advantage compared to the previously used DBSCAN method, as it can detect clusters of varying density. Further, clusters can also be detected based on density changes instead of absolute density. Finally, OPTICS based clusters have an intrinsically hierarchical structure, which allows to detect coherent trajectory sets at different spatial scales at once. We apply OPTICS directly to Lagrangian trajectory data in the Bickley jet model flow and successfully detect the expected vortices and the jet. The resulting clustering separates the vortices and the jet from background noise, with an imprint of the hierarchical clustering structure of coherent, small scale vortices in a coherent, large-scale, background flow. We then apply our method to a set of virtual trajectories released in the eastern South Atlantic Ocean in an eddying ocean model and successfully detect Agulhas rings. At larger scale, our method also separates the eastward and westward moving parts of the subtropical gyre. We illustrate the difference between our approach and partition based k-Means clustering using a 2-dimensional embedding of the trajectories derived from classical multidimensional scaling. We also show how OPTICS can be applied to the spectral embedding of a trajectory based network to overcome the problems of k-Means spectral clustering in detecting Agulhas rings.


2019 ◽  
Vol 140 ◽  
pp. 101401 ◽  
Author(s):  
Y.K. Ying ◽  
J.R. Maddison ◽  
J. Vanneste

2021 ◽  
Vol 28 (1) ◽  
pp. 43-59
Author(s):  
David Wichmann ◽  
Christian Kehl ◽  
Henk A. Dijkstra ◽  
Erik van Sebille

Abstract. The detection of finite-time coherent particle sets in Lagrangian trajectory data, using data-clustering techniques, is an active research field at the moment. Yet, the clustering methods mostly employed so far have been based on graph partitioning, which assigns each trajectory to a cluster, i.e. there is no concept of noisy, incoherent trajectories. This is problematic for applications in the ocean, where many small, coherent eddies are present in a large, mostly noisy fluid flow. Here, for the first time in this context, we use the density-based clustering algorithm of OPTICS (ordering points to identify the clustering structure; Ankerst et al., 1999) to detect finite-time coherent particle sets in Lagrangian trajectory data. Different from partition-based clustering methods, derived clustering results contain a concept of noise, such that not every trajectory needs to be part of a cluster. OPTICS also has a major advantage compared to the previously used density-based spatial clustering of applications with noise (DBSCAN) method, as it can detect clusters of varying density. The resulting clusters have an intrinsically hierarchical structure, which allows one to detect coherent trajectory sets at different spatial scales at once. We apply OPTICS directly to Lagrangian trajectory data in the Bickley jet model flow and successfully detect the expected vortices and the jet. The resulting clustering separates the vortices and the jet from background noise, with an imprint of the hierarchical clustering structure of coherent, small-scale vortices in a coherent, large-scale background flow. We then apply our method to a set of virtual trajectories released in the eastern South Atlantic Ocean in an eddying ocean model and successfully detect Agulhas rings. We illustrate the difference between our approach and partition-based k-means clustering using a 2D embedding of the trajectories derived from classical multidimensional scaling. We also show how OPTICS can be applied to the spectral embedding of a trajectory-based network to overcome the problems of k-means spectral clustering in detecting Agulhas rings.


CICTP 2020 ◽  
2020 ◽  
Author(s):  
Zuyao Zhang ◽  
Li Tang ◽  
Yifeng Wang ◽  
Xuejun Zhang

Informatica ◽  
2019 ◽  
Vol 30 (1) ◽  
pp. 33-52 ◽  
Author(s):  
Pengfei HAO ◽  
Chunlong YAO ◽  
Qingbin MENG ◽  
Xiaoqiang YU ◽  
Xu LI

2020 ◽  
Author(s):  
Jiawei Peng ◽  
Yu Xie ◽  
Deping Hu ◽  
Zhenggang Lan

The system-plus-bath model is an important tool to understand nonadiabatic dynamics for large molecular systems. The understanding of the collective motion of a huge number of bath modes is essential to reveal their key roles in the overall dynamics. We apply the principal component analysis (PCA) to investigate the bath motion based on the massive data generated from the MM-SQC (symmetrical quasi-classical dynamics method based on the Meyer-Miller mapping Hamiltonian) nonadiabatic dynamics of the excited-state energy transfer dynamics of Frenkel-exciton model. The PCA method clearly clarifies that two types of bath modes, which either display the strong vibronic couplings or have the frequencies close to electronic transition, are very important to the nonadiabatic dynamics. These observations are fully consistent with the physical insights. This conclusion is obtained purely based on the PCA understanding of the trajectory data, without the large involvement of pre-defined physical knowledge. The results show that the PCA approach, one of the simplest unsupervised machine learning methods, is very powerful to analyze the complicated nonadiabatic dynamics in condensed phase involving many degrees of freedom.


2013 ◽  
Vol 33 (6) ◽  
pp. 1604-1607
Author(s):  
Guang YANG ◽  
Lei ZHANG ◽  
Fan LI

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