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PAKDD2024: Recovering Population Dynamics from ...

WY
May 31, 2024
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PAKDD2024: Recovering Population Dynamics from a Single Pointcloud Snapshot

PAKDD2024

WY

May 31, 2024
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  1. KYOTO UNIVERSITY KYOTO UNIVERSITY 1 Recovering Population Dynamics from 


    a Single Pointcloud Snapshot ɹYuki Wakai Koh Takeuchi Hisashi Kashima Kyoto University
  2. KYOTO UNIVERSITY 3 Background Pointcloud analysis arise in a variety

    of fields • Location monitoring technologie s​ 
 like GPS, stereo cameras, and 3D laser imaging have led to the ubiquity of various pointcloud data types • Pointcloud Analysis Task is as follows 
 ɾNeighboring search 
 ɾClustering 
 ɾPrediction
  3. KYOTO UNIVERSITY 4 Background Pointcloud analysis arise in a variety

    of fields ▪ Prediction in pointcloud is to estimate movement of a point at a certain time ste p​ to the next time ste p​ 
 ▪ Prediction of ​ 
 - Behavior prediction using GPS data 
 - Multi-target tracking 
 - Single cell analysis in biology
  4. KYOTO UNIVERSITY 5 Problem Setting Predicting trajectory is recovering population

    dynamics ▪ Prediction of point trajectories in point cloud means 
 recovering underlying population dynamics Input Output
  5. KYOTO UNIVERSITY 6 Background Same point cloud cannot be monitored

    along a time series sometimes ▪ However, there are cases where the same point cloud cannot be monitored along a time series 
 - observational constraints in single cell analysis 
 - privacy issue in GPS data analysis ▪ Related work tackle the similar but different cases where 
 - each point cannot be traced but snapshots are obtained at multiple time steps 
 - each point has various features in a single snapshot
  6. KYOTO UNIVERSITY 7 Our Contribution: the motion of each point

    was restored from the coordinates of the motionless point cloud ▪ Our research proposes a novel algorithm, SNVF, 
 Single-shot Neural Vector field, for predicting point trajectories from a single snapshot, which has only coordinates information without time series.
  7. KYOTO UNIVERSITY 9 Problem Setting Recovering Vector field from coordinates

    ▪ Input: N coordinates 
 Output: Vector field x1 , …, xN ∈ RD V : RD → RD Output Input
  8. KYOTO UNIVERSITY 10 Problem Setting Recovering Vector field from coordinates

    ▪ Input: N coordinates 
 Output: Vector field ▪ Introduce SNVF (Single-shot Neural Vector Field), 
 a Neural Network (MLP) to approximate vector field and interpolate trajectory at any coordinate x1 , …, xN ∈ RD V : RD → RD N coordinates 
 x1 , …, xN ∈ RD Input Ground-truth Vector field V Neural Network 
 fθ Output Approximate
  9. KYOTO UNIVERSITY 11 Proposed Methods 
 How to define objective

    function? Assumption 1: Introduce 2 assumptions to solve this problem i j k xi xj xk In a pseudo time series, each point moves to its neighbors 
 at the next time step with a certain possibility. Each point's neighbors represent its coordinates 
 in the recent past or near future
  10. KYOTO UNIVERSITY 12 Proposed Methods How to define objective function?

    Assumption 2: Introduce 2 assumptions to solve this problem The vector field is smooth in the neighborhood space 
 nearby point clouds have similar trajectory vectors V(xi ) i j k xi xj xk V(xj ) V(xk )
  11. KYOTO UNIVERSITY 13 Proposed Methods 
 Notation fi ( =

    fθ (xi )) i j Point Cloud xi xj vij pij fj ( = fθ (xj )) V(xi ) Neighbors of i-th point Ni : ground-truth vector field V : trajectory of point estimated by neural network fi i fθ : vij xj − xi : transition probability from to pij i j
  12. KYOTO UNIVERSITY 14 Proposed Methods How to define objective function?

    Incorporate 2 assumptions to objective function Assumption 1: In a pseudo time series, 
 Each point will move to its neighbors at the next time step. Each point's neighbors represent its coordinates 
 in the recent past or near future Loss function ※ is ’s neighbors j ∈ Ni i fi i j xi xj vij pij fj
  13. KYOTO UNIVERSITY 15 Proposed Methods How to define objective function?

    Incorporate 2 assumptions to objective function Assumption 2: The vector field is smooth , 
 and neighboring point clouds have 
 similar trajectory vectors Acceleration smoothing Velocity smoothing ※ is ’s neighbors, is ’s neighbors j ∈ Ni i k ∈ Nj j fi i j k xi xj xk fj fk
  14. KYOTO UNIVERSITY 16 Proposed Methods Alternatively optimizing probability matrix and

    estimated trajectory P f ▪ Objective function to minimize 
 
 
 
 ▪ This function is non-convex, so optimize and alternatively. ▪ is transition probability matrix where ▪ is estimated trajectory estimated by neural network . P f P Pij = pij f fθ Acceleration Smoothing Velocity Smoothing ※ is ’s neighbors, is ’s neighbors j ∈ Ni i k ∈ Nj j Loss Funcunction
  15. KYOTO UNIVERSITY 17 Proposed Methods Alternatively optimizing probability matrix and

    estimated trajectory P f ▪ Objective function to minimize 
 
 
 
 ▪ This function is non-convex, so optimize and alternatively. ▪ is updated by solving optimal transport problem. ▪ is updated by gradient-based method 
 as objective function with respect to is quadratic. P f P f f Acceleration Smoothing Velocity Smoothing ※ is ’s neighbors, is ’s neighbors j ∈ Ni i k ∈ Nj j Loss Funcunction
  16. KYOTO UNIVERSITY 19 Experiment Experiment data and evaluation metrics ▪

    We use four vector fields to generate point cloud datasets 
 (uniform, irrotational, incompressible, and whirlpool) ▪ The accuracy of the direction of estimated trajectory vectors was measured with cosine similarity. Uniform Irrotational Incompressible Whirlpool
  17. KYOTO UNIVERSITY 20 Experiment Result Estimated Vector fields are well-aligned

    both in direction and magnitude. ▪ Estimated Vector fields for whirlpool data Averaging Vectors to neighbors Vector and Acceleration Smoothing
  18. KYOTO UNIVERSITY 21 Experiment Result Alternative Optimization of the objective

    function ▪ Direction accuracy was measured by sum of cosine similarity. Uniform Irrotational incompressible Whirlpool Averaging Vectors to Neighbors 0.014 0.242 0.088 0.165 Loss Function Only 0.019 0.264 0.084 0.143 Velocity Smoothing 0.057 0.567 0.311 0.480 Velocity Smoothing + 
 Acceleration Smoothing 0.133 0.920 0.397 0.695
  19. KYOTO UNIVERSITY 22 Experiment Result Ablation study: Alternative Optimization of

    MLP(SNVF) ▪ Metric: RMSE between and 
 RMSE considers both magnitude and direction of estimated trajectories ▪ Velocity smoothing works effectively for irrotational data and acceleration smoothing works for incompressible and whirlpool data. fi V(xi )
  20. KYOTO UNIVERSITY 24 Problem Setting Recovering Vector field from coordinates

    ▪ Input: N coordinates 
 Output: Vector field x1 , …, xN ∈ RD V : RD → RD Output Input
  21. KYOTO UNIVERSITY 25 Conclusion 
 Recovering Population Dynamics from a

    Single Pointcloud Snapshot ▪ In this study, we estimate trajectory of each point 
 from a point cloud data with only coordinates at a single time. In other words, the motion of each point was restored from the coordinates of the motionless point cloud. ▪ In this research, we proposed a formulation of the problem set and devised an algorithm to solve it at the same time. ▪ Experimental results showed that two types of regularization terms, velocity smoothing and acceleration smoothing, significantly improve the accuracy of the estimation.
  22. KYOTO UNIVERSITY 27 Appendix Evaluation Metrics with cosine similarity ▪

    Metrics with cosine similarity is as followsɻ 
 
 
 
 
 The cosine similarity between the estimated trajectory vector and the correct vector is determined, and the absolute value of the mean is used as the evaluation value. ▪ From a single-time point cloud snapshot, it is not possible to determine whether each point moves in the direction of the correct vector or in the exact opposite direction. 
 Therefore, we take the absolute value at the end.
  23. KYOTO UNIVERSITY 28 Appendix Estimated Vector fields for uniform data

    Averaging neighboring vectors Double Smoothing
  24. KYOTO UNIVERSITY 32 Proximal Optimal Transport Modeling 
 When a

    time series data are given ▪ Assume that point cloud data time series(t = 0, … T) are given ▪ Predict trajectory with observed trajectory (µ0, . . . , µT)
  25. KYOTO UNIVERSITY 33 Proximal Optimal Transport Modeling 
 When a

    time series data are given ▪ Use formula called JKO flows 
 
 ▪ : a probability distribution, 
 : a time step parameter ▪ : Wasserstein distance 
 
 ▪ is an energy function and it represents time evolution ρ τ W2 2 (μ, ν) J
  26. KYOTO UNIVERSITY 34 Proximal Optimal Transport Modeling 
 When a

    time series data are given ▪ Replace with an approximated energy function 
 where represents time evolution and is a parameter of 
 prev: 
 
 now: 
 ▪ is expressed as 
 where is a multi-layer perceptron (MLP) 
 
 J Jξ Jξ ξ J Jξ Eξ : Rd → R
  27. KYOTO UNIVERSITY 35 Proximal Optimal Transport Modeling 
 When a

    time series data are given ▪ 
 
 is a multi-layer perceptron (MLP) ▪ Datasets are given ▪ Loss is written as 
 ▪ Loss is calculated with the help of Sinkhorn algorithm 
 
 Eξ : Rd → R D = {{μ0 t }T t=0 , ⋯, {μN t }T t=0 }
  28. KYOTO UNIVERSITY 36 Single Cell Analysis Traditional methods: Get an

    average of cell population ▪ With traditional methods: each cell’s state is estimated from an average of cell population ▪ The cell population can only be monitored with periodic snapshots of a few sampled particles in various states. Cell Population
  29. KYOTO UNIVERSITY 37 Single Cell Analysis Trajectory inference ▪ Trajectory

    inference tries to obtain “pseudotime” series from members of cell population in order to analyze each cell more precisely Cell Population “Pseudotime” axis
  30. KYOTO UNIVERSITY 38 Single Cell Analysis Trajectory inference ▪ In

    trajectory inference, there are numerous methods, 
 but they are roughly categorized in two main methods. ▪ One method is dimensionality reduction (such as PCA), 
 and project cell population onto “pseudotime” axis 
 with the help of principle components.
  31. KYOTO UNIVERSITY 39 Single Cell Analysis Trajectory inference ▪ The

    other method is building a trajectory graph. ▪ Each node of graph represents cell state, such as cell types in cell differentiation and each edge of graph represents transitions between the cell states. ▪ Trajectory graph can be obtained by k-nearest neighbors or minimum spanning tree algorithms.