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International Workshop:
    Intelligent Analysis of Environmental Data




Institute of Geomatics and
   Analysis of Risk (IGAR)
  University of Lausanne,
          Switzerland



  Prof. Mikhail Kanevski



                   M. Kanevski, Palermo 2009     1
Comments and questions to:
• Mikhail.Kanevski@unil.ch
  – www.unil.ch/igar
  – www.geokernels.org




                M. Kanevski, Palermo 2009   2
General Introduction
 Typical problems
   Approaches
    Solutions
 Future research




    M. Kanevski, Palermo 2009   3
Geo- and Environmental Data
    (classes, continuous, images, networks, geomanifolds,…)

•    Spatio-temporal
•    Multi-scale
•    Multivariate
•    Highly variable at many scales
•    High-dimensional geo-feature spaces
•    Uncertainties
•    ………….

• In some cases we do have science-based
  models: data/knowledge/models integration

                       M. Kanevski, Palermo 2009              4
Spatio-temporal data in terms of
patterns/structures:

a. pattern recognition (pattern
discovery, pattern extraction),
b. pattern modelling,
c. pattern prediction




                 M. Kanevski, Palermo 2009   5
Main Topics:
• Review and posing of typical problems.
• From “numbers” to data
• Collection of data: Monitoring networks and data
  representativity? Monitoring network optimisation.
• Get more information value from your data –
  EXPLORE ! Exploratory spatio-temporal data
  analysis (EDA, ESDA).
• Predictions/estimations or simulations? Risk
  analysis and mapping
• Let data speak for themselves: learning from data.
  Data mining, Machine learning.

                  M. Kanevski, Palermo 2009       6
Methods:
• Monitoring networks descriptions
• Geostatistics: predictions/simulations
• Machine Learning(neural nets, SLT):
  – Neural networks: MLP, PNN, GRNN, RBF, SOM.
    ANNEX models. Hybrid models
  – Support Vector Machines
• Recent trends in geostatistics: Multiple-points
  geostatistics, pattern based geostatistics.
• Bayesian approach for uncertainty assessment,
  integration of data and science-based models
  (Bayesian Maximum Entropy)

                M. Kanevski, Palermo 2009     7
Spatial data analysis: typical tasks
•   Predict a value at a given point.
•   Build a map (isolines, 3D surfaces,..).
•   Estimate prediction error.
•   Take into account measurement errors.
•   Risk mapping: Uncertainty mapping around unknown
    value. Estimate the probability of exceeding of a
    given/decision level.
•   Joint predictions of several         variables (improve
    predictions on primary variable using auxiliary data and
    information).
•   Optimization of monitoring network (design/ redesign)
•   Simulations: modelling of spatial uncertainty and
    variability
•   Data/Science-based models assimilation/fusion
•    Image analysis. Remote sensing
•   Spatio-temporal events (forest fires, epidemiology,
    crime,…)
•   Predictions/simulations in high dimensional spaces
•   ………………………………………..




                                     M. Kanevski, Palermo 2009   8
Generic Methodology
                                                   Data Base
                       DATA
                                               Management System
    Statistical       Quick                       Monitoring
    Description    Visualisation               Network Analysis

    Variography        Deterministic               Monitoring
                       Interpolations               Network
Cross-validation                                   Generation

                                               Machine Learning
      Geostatistical
                                                 Algorithms
Predictions & Simulations
        Decision-oriented Mapping                      GIS,
                   M. Kanevski, Palermo 2009
                                                   Remote Sensing
                                                               9
GEOSTATISTICAL ANALYSIS
• Basic/Naïve statistical analysis. EDA
• ESDA (regionalized EDA)
• Structural analysis. Spatial correlation analysis
  (variography)
• Model selection: Cross-validation, jack-knife,…
• Prediction and error mapping for decision
  making (family of kriging models)
• Probability and Risk mapping. Conditional
  stochastic simulations


                   M. Kanevski, Palermo 2009          10
Some Geostatistics
• Exploration of spatial correlations

• Family of kriging models (simple, ordinary,
  disjunctive, indicator,…)

• Conditional Stochastic Simulations



                 M. Kanevski, Palermo 2009   11
Briansk region (radioactivity, Cs137)




             M. Kanevski, Palermo 2009   12
Heavy metals, Japan




    M. Kanevski, Palermo 2009   13
Switzerland, indoor radon




       M. Kanevski, Palermo 2009   14
Measures to characterise MN


•   Topological
•   Statistical
•   Fractal/multifractal
•   Lacunarity




                  M. Kanevski, Palermo 2009   15
Preferential Sampling. Declustering
              Problem




            M. Kanevski, Palermo 2009   16
Example: geostatistical spatial co-predictions




       Sr90 « expensive » information.
    Cs137 « cheap » exhaustive information.
              M. Kanevski, Palermo 2009          17
(Cross)Variography



            M. Kanevski, Palermo 2009   18
Use of Cs137 to
  improve Sr90
   predictions
 (reduced errors
and uncertainty).

Decision-oriented
    mapping:
« Thick isolines »



                     M. Kanevski, Palermo 2009   19
Simulations and Interpolations




          M. Kanevski, Palermo 2009   20
Unconditional simulations




       M. Kanevski, Palermo 2009   21
SGSim of the precipitation:




        M. Kanevski, Palermo 2009   22
Results of the simulations




        M. Kanevski, Palermo 2009   23
Post-processing of simulations: mean
       and standard deviation




            M. Kanevski, Palermo 2009   24
Geostatistics: some comments
• Geostatistics is a powerful and well elaborated
  model-dependent approach.
• Geostatistics proposes a variety of models for spatial
  data analysis and modeling. It has long and
  successful history of developments and applications
• Some problems:
     Nonlinearity
     Non-stationarity
     Two-point statistics
     Data/models integration
     Data mining. Pattern recognition

• Hybrid Models (ANN/SVM + Geostat) can help.
                          M. Kanevski, Palermo 2009   25
Some useful comments, conclusions
         and future research

• 1. Detection of patterns: try k-NN or GRNN
• as an exploratory tools
• Cross-validation: leave-one-out, leave k-out,
  jackknife,etc. as a control tool
• Model selection and model asssessment




                  M. Kanevski, Palermo 2009       26
K- Nearest Neighbours




      M. Kanevski, Palermo 2009   27
K-NN prediction:
NN methods use those k-observations in the training data
 set T closest in input space to prediction point x to
 estimate Y
                                 k
              ∧ 1
             Y=       ∑( x) yi
                k xi ∈ Nk
    Where Nk(x) is the neighborhood of x defined by the
     closest points in the training set
                  M. Kanevski, Palermo 2009          28
k-NN Classifiers
These classifiers are memory-based and do
 not require any model to be fit! Given a
 query point x, we find the k training points
 closest in the distance to x and then
 classify using MAJORITY vote among the
 k neighbors.




                M. Kanevski, Palermo 2009   29
Because it uses only the training point closest to
  the query point, the bias of the 1-nn estimate is
  often low, but the variance is high.

A famous result of Cover and Hurt (1967) shows
  that asymptotically the error rate of the 1-nn
  classifier is never more than twice the Bayes
  rate.

This result can provide a rough idea about the best
  performance that is possible in a given problem:
  if the 1-nn rule has a 10% error rate, then
  asymptotically the Bayes error rate is at least
  5%.

                   M. Kanevski, Palermo 2009          30
Dirichlet cells, Thiessen tessellation,
          Voronoï polygons




              M. Kanevski, Palermo 2009   31
• How to find k ?

             Possible answer:

    Cross-validation or leave-one-out




                M. Kanevski, Palermo 2009   32
k-NN prediction (n=6 ?)
                            W3~(1/n)

                                    3                      W4~(1/n)
W2~(1/n)
                                        r3                       4
           2           r2                         r4

                                                            r5        W5~(1/n)

                                                                            5
                  r1                         r6
                                                       6
W1~(1/n)
                                         W6~(1/n)
       1




                              M. Kanevski, Palermo 2009                          33
Cross-validation
                         W3~(1/n)

                                 3                      W4~(1/n)
W2~(1/n)
                                     r3                       4
           2        r2                         r4

                                                         r5        W5~(1/n)

                                                                         5
               r1                         r6
                                                    6
W1~(1/n)
                                      W6~(1/n)
       1


                                     Calculate error = (prediction-data)

                           M. Kanevski, Palermo 2009                          34
Leave-next-one-out, etc
                         W3~(1/n)

                                3                      W4~(1/n)
W2~(1/n)
                                    r3                          4
           2        r2                        r4

                                                           r5       W5~(1/n)


               r1                        r6
                                                   6
W1~(1/n)
                                     W6~(1/n)
       1


                                                       5
               Calculate error = (prediction-data)
                       M. Kanevski, Palermo 2009                               35
Data and k-nn Cross-
                 validation error curve




M. Kanevski, Palermo 2009                 36
Complete data set and
500 training points linearly interpolated




          M. Kanevski, Palermo 2009         37
Cross-validation curve




      M. Kanevski, Palermo 2009   38
K-nn predictions




  M. Kanevski, Palermo 2009   39
Machine Learning Algorithms
• Machine learning is an area of artificial intelligence
  concerned with the development of techniques
  which allow computers to "learn".
• More specifically, machine learning is a method
  for creating computer programs by the analysis of
  data sets. Machine learning overlaps heavily with
  statistics, since both fields study the analysis of
  data, but unlike statistics, machine learning is
  concerned with the algorithmic complexity of
  computational implementations. ...



                   M. Kanevski, Palermo 2009        40
Algorithms
Common algorithm types include:
• supervised learning – where the algorithm generates a function that
  maps inputs to desired outputs.
• unsupervised learning – which models a set of inputs: labeled
  examples are not available.
• semi-supervised learning – which combines both labeled and
  unlabeled examples to generate an appropriate function or classifier.
• reinforcement learning – where the algorithm learns a policy of how to
  act given an observation of the world. Every action has some impact in
  the environment, and the environment provides feedback that guides
  the learning algorithm.
• transduction – similar to supervised learning, but does not explicitly
  construct a function: instead, tries to predict new outputs based on
  training inputs, training outputs, and new inputs.
• The performance and computational analysis of machine learning
  algorithms is a branch of statistics known as
  computational learning theory.



                        M. Kanevski, Palermo 2009                  41
ML Topics (short lists)
• Machine learning topics
• Modeling conditional probability density functions,
  regression and classification
   –   Artificial neural networks
   –   Decision trees
   –   Gene expression programming
   –   Genetic Programming
   –   Gaussian process regression
   –   Linear discriminant analysis
   –   k-Nearest Neighbor
   –   Minimum message length
   –   Perceptron
   –   Quadratic classifier
   –   Radial basis functions
   –   Support vector machines

                        M. Kanevski, Palermo 2009       42
ML Topics (continued)
•   Modeling probability density functions through generative models:
     – Expectation-maximization algorithm
     – Graphical models including Bayesian networks and Markov Random Fields
     – Generative Topographic Mapping
•   Appromixate inference techniques:
     – Markov chain Monte Carlo method
     – Variational Bayes
•   Meta-Learning (Ensemble methods):
     –   Boosting
     –   Bootstrap Aggregating aka Bagging
     –   Random forest
     –   Weighted Majority Algorithm
•   Optimization: most of methods listed above either use optimization or are
    instances of optimization algorithms.
•   Multi-objective Machine Learning: An approach that addresses multiple, and
    often confliciting learning objectives explicitly using Pareto-based multi-
    objective optimization techniques.



                               M. Kanevski, Palermo 2009                       43
Machine Learning
•   Artificial Neural Networks
3. Multilayer perceptrons (MLP)
4. General Regression Neural
   Networks (GRNN)
• Statistical Learning Theory
 Support Vector Classification
 Support Vector Regression
 Monitoring Networks Optimization

           M. Kanevski, Palermo 2009   44
A Generic Model of
    Learning from Data/Examples


Generator            Supervisor


                        Learning
                        Machine
            M. Kanevski, Palermo 2009   45
The Problem of Risk Minimization

In order to choose the best available model
  to the supervisor’s response, one measure
  the LOSS or discrepancy L(y,f(x,α))
  between the response y of the supervisor
  to a given input x and the response f(x,α)
  provided by the Loss Measure.


                M. Kanevski, Palermo 2009   46
Three Main Learning Problems
• Regression Estimation. Let the supervisor’s
  answer y, be a real value, and let f(x,α ), α∈Λ ,
  be a set of real functions which contains the
  regression function



   f ( x, α) = ydF ( y ¦ x )
           0  ∫

                  M. Kanevski, Palermo 2009       47
The Problem of Risk Minimization
Consider the expected value of the loss,
 given by the risk functional

    R (α) = ∫ L( y , f ( x, α))dF ( x, y )
The goal is to find the function f(x,α 0) which minimises
  the risk in the situation where the joint pdf is
  unknown and the only available information is
  contained in the training set.



                    M. Kanevski, Palermo 2009          48
• Classification problem:
                                              A           B
                                         A
              A
                                 A           A
                  A                                       B           B
         A                                                    B
                             A
                                                          B
                  A              A
          A
                                                                          B
                                                      B
                                     B
                      B                                           B
          B




                          M. Kanevski, Palermo 2009                           49
Three Main Learning Problems
 • Pattern Recognition (classification).
 y = {0,1}, classification error:

                   0,          if            y = f ( x,α )
L( y, f ( x,α )) =
                   1,           if           y ≠ f ( x,α )



                 M. Kanevski, Palermo 2009                   50
• Regression problem

                                          f(x) ?




                   f ( x)
                    ˆ 
                  x→ y
              M. Kanevski, Palermo 2009            51
Three Main Learning Problems
• Regression Estimation
It is known that regression function is the one
   which minimizes the following loss-function:



 L( y, f ( x, α )) = ( y − f ( x, α ))       2




                 M. Kanevski, Palermo 2009    52
• Probability density estimation




 p(x)




                M. Kanevski, x
                             Palermo 2009   53
Three Main Learning Problems
• Density Estimation. For this problem
  we consider the following loss-
  function:


    L( p( x,α )) = − log p( x,α )


              M. Kanevski, Palermo 2009   54
Inductive, Deductive and Transductive


                     F(x,y)

 Induction                                  Deduction



Training samples
     (xi, yi)                             (ynew,xnew)

             Transduction
              M. Kanevski, Palermo 2009                 55
Why Machine Learning algorithms?
 • Universal, nonlinear, robust tools
 • Data adapted
 • Easy data and knowledge integration
 • Efficient in high dimensional spaces
 • Good generalisation (low prediction
   error)
 • Input/feature selection


               M. Kanevski, Palermo 2009   56
Our experience, some applications
• Hydrogeology, pollution/contamination (soil, water, air,
  food chains,…), topo-climatic modelling, geophysics
• Renewable resources – wind fields
• Natural hazards/risks: forest fires, avalanches, indoor
  radon,
• Optimization of monitoring networks
• Crime data, epidemiology
• MNL for remote sensing, change detection
• Socio-economic spatio-temporal multivariate data
• Spatial econometrics. Financial data. Econophysics
• Fractals, Chaos, EVT,
• Time series

                     M. Kanevski, Palermo 2009               57
Model Selection & Model Evaluation




            M. Kanevski, Palermo 2009   58
Guillaume d'Occam (1285 - 1349)
            “Pluralitas non est ponenda sine
                      necessitate”



Occam’s razor:
“The more simple explanation of the
  phenomena is more likely to be
  correct”
                 M. Kanevski, Palermo 2009   59
Model Assessment and Model
         Selection:
    Two separate goals



        M. Kanevski, Palermo 2009   60
Model Selection:

Estimating the performance of different
 models in order to choose the
 (approximate) best one

        Model Assessment:
Having chosen a final model, estimating its
 prediction error (generalization error) on
 new data
               M. Kanevski, Palermo 2009   61
If we are in a data-rich situation, the best
   solution is to split randomly (?) data


                 Raw Data

    Train: 50%    Validation:25%              Test:25%
      (Train)          (test)                (validation)




                 M. Kanevski, Palermo 2009                  62
Interpretation

• The training set is used to fit the models

• The validation set is used to estimate prediction
  error for model selection (tuning
  hyperparameters)

• The test set is used for assessment of the
  generalization error of the final chosen model

        Elements of Statistical Learning- Hastie, Tibshirani & Friedman 2001

                        M. Kanevski, Palermo 2009                       63
Bias and Variance.
                     Model’s complexity
          c. Underfitting
  3


2.5


  2                                                         b. Overfitting
                                              3
1.5
                                            2.5

  1
                                              2

0.5
                                            1.5


      2    4          6     8         10      1


                                            0.5



                                                        2    4         6     8        10



                                M. Kanevski, Palermo 2009                        64
One of the most serious problems that arises in
  connectionist learning by neural networks is
  overfitting of the provided training examples.
This means that the learned function fits very
  closely the training data however it does not
  generalise well, that is it can not model
  sufficiently well unseen data from the same task.
Solution: Balance the statistical bias and statistical
  variance when doing neural network learning in
  order to achieve smallest average generalization
  error



                   M. Kanevski, Palermo 2009        65
Bias-Variance Dilemma
Assume that
               Y = f (X ) + ε
               where
               E (ε ) = 0,
               Var (ε ) = σ               2
                                          ε

              M. Kanevski, Palermo 2009       66
We can derive an expression for the
   expected prediction error of a
 regression at an input point X=x0
     using squared-error loss:



            M. Kanevski, Palermo 2009   67
∧
Err ( x0 ) = E[(Y − f ( x0 )) ¦ X = x0 ] =
                                   2

          ∧                                 ∧     ∧
σ + [ E f ( x0 ) − f ( x0 )] + E[ f ( x0 ) − E f ( x0 )] =
  2
  ε
                               2                      2

                  ∧                    ∧
σ + Bias ( f ( x0 )) + Var ( f ( x0 )) =
  2
  ε
              2


IrreducibleError + Bias + Variance 2




                      M. Kanevski, Palermo 2009       68
• The first term is the variance of the target around
  its true mean f(x0), and cannot be avoided no
  matter how well we estimate f(x0), unless σε2=0.
• The second term is the squared bias, the amount
  by which the average of our estimate differs from
  the true mean
• The last term is the variance, the expected
  squared deviation of ∧          around its mean.
                         f ( x0 )


                    M. Kanevski, Palermo 2009           69
For the k-NN regression fit
                             ∧
Err ( x0 ) = E[(Y − f ( x0 )) ¦ X = x0 ] =   2

                         k
                1
σ + [ f ( x0 ) − ∑ f ( xl )] + σ ε / k
 2
 ε
                            2    2

                k l =1
       Here we assume for simplicity that training
        inputs are fixed, and the randomness arises
        from the Y. The number of neighbors k is
        inversely related to the model complexity
                 M. Kanevski, Palermo 2009       70
Elements of Statistical Learning. Hastie, Tibshirani & Friedman 2001


                   M. Kanevski, Palermo 2009                           71
M. Kanevski, Palermo 2009   72
• A neural network is only as good as the
  training data!

• Poor training data inevitably leads to an
  unreliable and unpredictable network.

• Exploratory Data Analysis and data
  preprocessing are extremely important!!!


                M. Kanevski, Palermo 2009     73
• If possible, prior to training, add some
  noise or other randomness to your
  example (such as a random scaling
  factor). This helps to account for noise and
  natural variability in real data, and tends to
  produce a more reliable network.




                 M. Kanevski, Palermo 2009    74
Hybrid Models:
Geostatistics + ML




    M. Kanevski, Palermo 2009   75
Data   F1,F2,...,Fn
               Structural analysis                                    Statistical        Trend
   Variogram
               Raw Data Variogram
                                                                      description       analysis                                        Data for
                                                                                                                        training       validation   testing

               Lag (km)                                                                ANN architecture choice
                                                                                                                                    Validation       Testing
                                                    Statistical description
                                                                                                                                         ANN Training
                                                   Multivariate structural
                                                          analysis
                                                                                                   Accuracy Test              ANN estimates for F1,F2,...,Fn

                                    Variogram model for residuals
Validation                                       Residual Variogram

                                                                                               ANN Residuals
                                                                                                 F1,F2,...,Fn
                                     Variogram




  Cross-
validation
                                                 Lag (km)




                                                                                                                                     Final estimates
                                Cokriging
                                                                                                                                   (ANN + Geostatistics)
                          errors                 estimates



                                                                                     NNRK/CK
                                                                                     Algorithm
                                                                              M. Kanevski, Palermo 2009                                                 76
Model: Neural Network Residual Cokriging




Artificial Neural
Network Estimate                                   Final estimate of 90Sr with
                     Geostatistical Estimate
                                                            NNRCK
                        of the Residuals
                       M. Kanevski, Palermo 2009                           77
Conclusions
• Machine Learning: universal data-driven
  recently developed approach with many
  successful applications. Nonlinear, robust.
  Integration of different types of data and
  information. Efficient in high dimensional
  space.
• But: Depends on the quality and quantity of
  data. Uncertainty characterization.
  Diagnostic tools. Hyper-parameters tuning.


               M. Kanevski, Palermo 2009   78
Topics for the research
•   Multitask learning
•   Automatic feature selection/ feature extraction
•   Uncertainties characterisation
•   Understanding and visluation of high
    dimensional data
•   Modelling on geomanifold, semi-supervised
    learning
•   Active learning
•   MLA and simulations?
•   ……………………………………………………

                    M. Kanevski, Palermo 2009         79
Thank you for your attention!

                                   www.geokernels.org
          2004




          2008




                                                    2009
                                      www.unil.ch/igar



       M. Kanevski, Palermo 2009                        80

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Intelligent Analysis of Environmental Data

  • 1. International Workshop: Intelligent Analysis of Environmental Data Institute of Geomatics and Analysis of Risk (IGAR) University of Lausanne, Switzerland Prof. Mikhail Kanevski M. Kanevski, Palermo 2009 1
  • 2. Comments and questions to: • Mikhail.Kanevski@unil.ch – www.unil.ch/igar – www.geokernels.org M. Kanevski, Palermo 2009 2
  • 3. General Introduction Typical problems Approaches Solutions Future research M. Kanevski, Palermo 2009 3
  • 4. Geo- and Environmental Data (classes, continuous, images, networks, geomanifolds,…) • Spatio-temporal • Multi-scale • Multivariate • Highly variable at many scales • High-dimensional geo-feature spaces • Uncertainties • …………. • In some cases we do have science-based models: data/knowledge/models integration M. Kanevski, Palermo 2009 4
  • 5. Spatio-temporal data in terms of patterns/structures: a. pattern recognition (pattern discovery, pattern extraction), b. pattern modelling, c. pattern prediction M. Kanevski, Palermo 2009 5
  • 6. Main Topics: • Review and posing of typical problems. • From “numbers” to data • Collection of data: Monitoring networks and data representativity? Monitoring network optimisation. • Get more information value from your data – EXPLORE ! Exploratory spatio-temporal data analysis (EDA, ESDA). • Predictions/estimations or simulations? Risk analysis and mapping • Let data speak for themselves: learning from data. Data mining, Machine learning. M. Kanevski, Palermo 2009 6
  • 7. Methods: • Monitoring networks descriptions • Geostatistics: predictions/simulations • Machine Learning(neural nets, SLT): – Neural networks: MLP, PNN, GRNN, RBF, SOM. ANNEX models. Hybrid models – Support Vector Machines • Recent trends in geostatistics: Multiple-points geostatistics, pattern based geostatistics. • Bayesian approach for uncertainty assessment, integration of data and science-based models (Bayesian Maximum Entropy) M. Kanevski, Palermo 2009 7
  • 8. Spatial data analysis: typical tasks • Predict a value at a given point. • Build a map (isolines, 3D surfaces,..). • Estimate prediction error. • Take into account measurement errors. • Risk mapping: Uncertainty mapping around unknown value. Estimate the probability of exceeding of a given/decision level. • Joint predictions of several variables (improve predictions on primary variable using auxiliary data and information). • Optimization of monitoring network (design/ redesign) • Simulations: modelling of spatial uncertainty and variability • Data/Science-based models assimilation/fusion • Image analysis. Remote sensing • Spatio-temporal events (forest fires, epidemiology, crime,…) • Predictions/simulations in high dimensional spaces • ……………………………………….. M. Kanevski, Palermo 2009 8
  • 9. Generic Methodology Data Base DATA Management System Statistical Quick Monitoring Description Visualisation Network Analysis Variography Deterministic Monitoring Interpolations Network Cross-validation Generation Machine Learning Geostatistical Algorithms Predictions & Simulations Decision-oriented Mapping GIS, M. Kanevski, Palermo 2009 Remote Sensing 9
  • 10. GEOSTATISTICAL ANALYSIS • Basic/Naïve statistical analysis. EDA • ESDA (regionalized EDA) • Structural analysis. Spatial correlation analysis (variography) • Model selection: Cross-validation, jack-knife,… • Prediction and error mapping for decision making (family of kriging models) • Probability and Risk mapping. Conditional stochastic simulations M. Kanevski, Palermo 2009 10
  • 11. Some Geostatistics • Exploration of spatial correlations • Family of kriging models (simple, ordinary, disjunctive, indicator,…) • Conditional Stochastic Simulations M. Kanevski, Palermo 2009 11
  • 12. Briansk region (radioactivity, Cs137) M. Kanevski, Palermo 2009 12
  • 13. Heavy metals, Japan M. Kanevski, Palermo 2009 13
  • 14. Switzerland, indoor radon M. Kanevski, Palermo 2009 14
  • 15. Measures to characterise MN • Topological • Statistical • Fractal/multifractal • Lacunarity M. Kanevski, Palermo 2009 15
  • 16. Preferential Sampling. Declustering Problem M. Kanevski, Palermo 2009 16
  • 17. Example: geostatistical spatial co-predictions Sr90 « expensive » information. Cs137 « cheap » exhaustive information. M. Kanevski, Palermo 2009 17
  • 18. (Cross)Variography M. Kanevski, Palermo 2009 18
  • 19. Use of Cs137 to improve Sr90 predictions (reduced errors and uncertainty). Decision-oriented mapping: « Thick isolines » M. Kanevski, Palermo 2009 19
  • 20. Simulations and Interpolations M. Kanevski, Palermo 2009 20
  • 21. Unconditional simulations M. Kanevski, Palermo 2009 21
  • 22. SGSim of the precipitation: M. Kanevski, Palermo 2009 22
  • 23. Results of the simulations M. Kanevski, Palermo 2009 23
  • 24. Post-processing of simulations: mean and standard deviation M. Kanevski, Palermo 2009 24
  • 25. Geostatistics: some comments • Geostatistics is a powerful and well elaborated model-dependent approach. • Geostatistics proposes a variety of models for spatial data analysis and modeling. It has long and successful history of developments and applications • Some problems: Nonlinearity Non-stationarity Two-point statistics Data/models integration Data mining. Pattern recognition • Hybrid Models (ANN/SVM + Geostat) can help. M. Kanevski, Palermo 2009 25
  • 26. Some useful comments, conclusions and future research • 1. Detection of patterns: try k-NN or GRNN • as an exploratory tools • Cross-validation: leave-one-out, leave k-out, jackknife,etc. as a control tool • Model selection and model asssessment M. Kanevski, Palermo 2009 26
  • 27. K- Nearest Neighbours M. Kanevski, Palermo 2009 27
  • 28. K-NN prediction: NN methods use those k-observations in the training data set T closest in input space to prediction point x to estimate Y k ∧ 1 Y= ∑( x) yi k xi ∈ Nk Where Nk(x) is the neighborhood of x defined by the closest points in the training set M. Kanevski, Palermo 2009 28
  • 29. k-NN Classifiers These classifiers are memory-based and do not require any model to be fit! Given a query point x, we find the k training points closest in the distance to x and then classify using MAJORITY vote among the k neighbors. M. Kanevski, Palermo 2009 29
  • 30. Because it uses only the training point closest to the query point, the bias of the 1-nn estimate is often low, but the variance is high. A famous result of Cover and Hurt (1967) shows that asymptotically the error rate of the 1-nn classifier is never more than twice the Bayes rate. This result can provide a rough idea about the best performance that is possible in a given problem: if the 1-nn rule has a 10% error rate, then asymptotically the Bayes error rate is at least 5%. M. Kanevski, Palermo 2009 30
  • 31. Dirichlet cells, Thiessen tessellation, Voronoï polygons M. Kanevski, Palermo 2009 31
  • 32. • How to find k ? Possible answer: Cross-validation or leave-one-out M. Kanevski, Palermo 2009 32
  • 33. k-NN prediction (n=6 ?) W3~(1/n) 3 W4~(1/n) W2~(1/n) r3 4 2 r2 r4 r5 W5~(1/n) 5 r1 r6 6 W1~(1/n) W6~(1/n) 1 M. Kanevski, Palermo 2009 33
  • 34. Cross-validation W3~(1/n) 3 W4~(1/n) W2~(1/n) r3 4 2 r2 r4 r5 W5~(1/n) 5 r1 r6 6 W1~(1/n) W6~(1/n) 1 Calculate error = (prediction-data) M. Kanevski, Palermo 2009 34
  • 35. Leave-next-one-out, etc W3~(1/n) 3 W4~(1/n) W2~(1/n) r3 4 2 r2 r4 r5 W5~(1/n) r1 r6 6 W1~(1/n) W6~(1/n) 1 5 Calculate error = (prediction-data) M. Kanevski, Palermo 2009 35
  • 36. Data and k-nn Cross- validation error curve M. Kanevski, Palermo 2009 36
  • 37. Complete data set and 500 training points linearly interpolated M. Kanevski, Palermo 2009 37
  • 38. Cross-validation curve M. Kanevski, Palermo 2009 38
  • 39. K-nn predictions M. Kanevski, Palermo 2009 39
  • 40. Machine Learning Algorithms • Machine learning is an area of artificial intelligence concerned with the development of techniques which allow computers to "learn". • More specifically, machine learning is a method for creating computer programs by the analysis of data sets. Machine learning overlaps heavily with statistics, since both fields study the analysis of data, but unlike statistics, machine learning is concerned with the algorithmic complexity of computational implementations. ... M. Kanevski, Palermo 2009 40
  • 41. Algorithms Common algorithm types include: • supervised learning – where the algorithm generates a function that maps inputs to desired outputs. • unsupervised learning – which models a set of inputs: labeled examples are not available. • semi-supervised learning – which combines both labeled and unlabeled examples to generate an appropriate function or classifier. • reinforcement learning – where the algorithm learns a policy of how to act given an observation of the world. Every action has some impact in the environment, and the environment provides feedback that guides the learning algorithm. • transduction – similar to supervised learning, but does not explicitly construct a function: instead, tries to predict new outputs based on training inputs, training outputs, and new inputs. • The performance and computational analysis of machine learning algorithms is a branch of statistics known as computational learning theory. M. Kanevski, Palermo 2009 41
  • 42. ML Topics (short lists) • Machine learning topics • Modeling conditional probability density functions, regression and classification – Artificial neural networks – Decision trees – Gene expression programming – Genetic Programming – Gaussian process regression – Linear discriminant analysis – k-Nearest Neighbor – Minimum message length – Perceptron – Quadratic classifier – Radial basis functions – Support vector machines M. Kanevski, Palermo 2009 42
  • 43. ML Topics (continued) • Modeling probability density functions through generative models: – Expectation-maximization algorithm – Graphical models including Bayesian networks and Markov Random Fields – Generative Topographic Mapping • Appromixate inference techniques: – Markov chain Monte Carlo method – Variational Bayes • Meta-Learning (Ensemble methods): – Boosting – Bootstrap Aggregating aka Bagging – Random forest – Weighted Majority Algorithm • Optimization: most of methods listed above either use optimization or are instances of optimization algorithms. • Multi-objective Machine Learning: An approach that addresses multiple, and often confliciting learning objectives explicitly using Pareto-based multi- objective optimization techniques. M. Kanevski, Palermo 2009 43
  • 44. Machine Learning • Artificial Neural Networks 3. Multilayer perceptrons (MLP) 4. General Regression Neural Networks (GRNN) • Statistical Learning Theory  Support Vector Classification  Support Vector Regression  Monitoring Networks Optimization M. Kanevski, Palermo 2009 44
  • 45. A Generic Model of Learning from Data/Examples Generator Supervisor Learning Machine M. Kanevski, Palermo 2009 45
  • 46. The Problem of Risk Minimization In order to choose the best available model to the supervisor’s response, one measure the LOSS or discrepancy L(y,f(x,α)) between the response y of the supervisor to a given input x and the response f(x,α) provided by the Loss Measure. M. Kanevski, Palermo 2009 46
  • 47. Three Main Learning Problems • Regression Estimation. Let the supervisor’s answer y, be a real value, and let f(x,α ), α∈Λ , be a set of real functions which contains the regression function f ( x, α) = ydF ( y ¦ x ) 0 ∫ M. Kanevski, Palermo 2009 47
  • 48. The Problem of Risk Minimization Consider the expected value of the loss, given by the risk functional R (α) = ∫ L( y , f ( x, α))dF ( x, y ) The goal is to find the function f(x,α 0) which minimises the risk in the situation where the joint pdf is unknown and the only available information is contained in the training set. M. Kanevski, Palermo 2009 48
  • 49. • Classification problem: A B A A A A A B B A B A B A A A B B B B B B M. Kanevski, Palermo 2009 49
  • 50. Three Main Learning Problems • Pattern Recognition (classification). y = {0,1}, classification error: 0, if y = f ( x,α ) L( y, f ( x,α )) = 1, if y ≠ f ( x,α ) M. Kanevski, Palermo 2009 50
  • 51. • Regression problem f(x) ?  f ( x) ˆ  x→ y M. Kanevski, Palermo 2009 51
  • 52. Three Main Learning Problems • Regression Estimation It is known that regression function is the one which minimizes the following loss-function: L( y, f ( x, α )) = ( y − f ( x, α )) 2 M. Kanevski, Palermo 2009 52
  • 53. • Probability density estimation p(x) M. Kanevski, x Palermo 2009 53
  • 54. Three Main Learning Problems • Density Estimation. For this problem we consider the following loss- function: L( p( x,α )) = − log p( x,α ) M. Kanevski, Palermo 2009 54
  • 55. Inductive, Deductive and Transductive F(x,y) Induction Deduction Training samples (xi, yi) (ynew,xnew) Transduction M. Kanevski, Palermo 2009 55
  • 56. Why Machine Learning algorithms? • Universal, nonlinear, robust tools • Data adapted • Easy data and knowledge integration • Efficient in high dimensional spaces • Good generalisation (low prediction error) • Input/feature selection M. Kanevski, Palermo 2009 56
  • 57. Our experience, some applications • Hydrogeology, pollution/contamination (soil, water, air, food chains,…), topo-climatic modelling, geophysics • Renewable resources – wind fields • Natural hazards/risks: forest fires, avalanches, indoor radon, • Optimization of monitoring networks • Crime data, epidemiology • MNL for remote sensing, change detection • Socio-economic spatio-temporal multivariate data • Spatial econometrics. Financial data. Econophysics • Fractals, Chaos, EVT, • Time series M. Kanevski, Palermo 2009 57
  • 58. Model Selection & Model Evaluation M. Kanevski, Palermo 2009 58
  • 59. Guillaume d'Occam (1285 - 1349) “Pluralitas non est ponenda sine necessitate” Occam’s razor: “The more simple explanation of the phenomena is more likely to be correct” M. Kanevski, Palermo 2009 59
  • 60. Model Assessment and Model Selection: Two separate goals M. Kanevski, Palermo 2009 60
  • 61. Model Selection: Estimating the performance of different models in order to choose the (approximate) best one Model Assessment: Having chosen a final model, estimating its prediction error (generalization error) on new data M. Kanevski, Palermo 2009 61
  • 62. If we are in a data-rich situation, the best solution is to split randomly (?) data Raw Data Train: 50% Validation:25% Test:25% (Train) (test) (validation) M. Kanevski, Palermo 2009 62
  • 63. Interpretation • The training set is used to fit the models • The validation set is used to estimate prediction error for model selection (tuning hyperparameters) • The test set is used for assessment of the generalization error of the final chosen model Elements of Statistical Learning- Hastie, Tibshirani & Friedman 2001 M. Kanevski, Palermo 2009 63
  • 64. Bias and Variance. Model’s complexity c. Underfitting 3 2.5 2 b. Overfitting 3 1.5 2.5 1 2 0.5 1.5 2 4 6 8 10 1 0.5 2 4 6 8 10 M. Kanevski, Palermo 2009 64
  • 65. One of the most serious problems that arises in connectionist learning by neural networks is overfitting of the provided training examples. This means that the learned function fits very closely the training data however it does not generalise well, that is it can not model sufficiently well unseen data from the same task. Solution: Balance the statistical bias and statistical variance when doing neural network learning in order to achieve smallest average generalization error M. Kanevski, Palermo 2009 65
  • 66. Bias-Variance Dilemma Assume that Y = f (X ) + ε where E (ε ) = 0, Var (ε ) = σ 2 ε M. Kanevski, Palermo 2009 66
  • 67. We can derive an expression for the expected prediction error of a regression at an input point X=x0 using squared-error loss: M. Kanevski, Palermo 2009 67
  • 68. ∧ Err ( x0 ) = E[(Y − f ( x0 )) ¦ X = x0 ] = 2 ∧ ∧ ∧ σ + [ E f ( x0 ) − f ( x0 )] + E[ f ( x0 ) − E f ( x0 )] = 2 ε 2 2 ∧ ∧ σ + Bias ( f ( x0 )) + Var ( f ( x0 )) = 2 ε 2 IrreducibleError + Bias + Variance 2 M. Kanevski, Palermo 2009 68
  • 69. • The first term is the variance of the target around its true mean f(x0), and cannot be avoided no matter how well we estimate f(x0), unless σε2=0. • The second term is the squared bias, the amount by which the average of our estimate differs from the true mean • The last term is the variance, the expected squared deviation of ∧ around its mean. f ( x0 ) M. Kanevski, Palermo 2009 69
  • 70. For the k-NN regression fit ∧ Err ( x0 ) = E[(Y − f ( x0 )) ¦ X = x0 ] = 2 k 1 σ + [ f ( x0 ) − ∑ f ( xl )] + σ ε / k 2 ε 2 2 k l =1 Here we assume for simplicity that training inputs are fixed, and the randomness arises from the Y. The number of neighbors k is inversely related to the model complexity M. Kanevski, Palermo 2009 70
  • 71. Elements of Statistical Learning. Hastie, Tibshirani & Friedman 2001 M. Kanevski, Palermo 2009 71
  • 73. • A neural network is only as good as the training data! • Poor training data inevitably leads to an unreliable and unpredictable network. • Exploratory Data Analysis and data preprocessing are extremely important!!! M. Kanevski, Palermo 2009 73
  • 74. • If possible, prior to training, add some noise or other randomness to your example (such as a random scaling factor). This helps to account for noise and natural variability in real data, and tends to produce a more reliable network. M. Kanevski, Palermo 2009 74
  • 75. Hybrid Models: Geostatistics + ML M. Kanevski, Palermo 2009 75
  • 76. Data F1,F2,...,Fn Structural analysis Statistical Trend Variogram Raw Data Variogram description analysis Data for training validation testing Lag (km) ANN architecture choice Validation Testing Statistical description ANN Training Multivariate structural analysis Accuracy Test ANN estimates for F1,F2,...,Fn Variogram model for residuals Validation Residual Variogram ANN Residuals F1,F2,...,Fn Variogram Cross- validation Lag (km) Final estimates Cokriging (ANN + Geostatistics) errors estimates NNRK/CK Algorithm M. Kanevski, Palermo 2009 76
  • 77. Model: Neural Network Residual Cokriging Artificial Neural Network Estimate Final estimate of 90Sr with Geostatistical Estimate NNRCK of the Residuals M. Kanevski, Palermo 2009 77
  • 78. Conclusions • Machine Learning: universal data-driven recently developed approach with many successful applications. Nonlinear, robust. Integration of different types of data and information. Efficient in high dimensional space. • But: Depends on the quality and quantity of data. Uncertainty characterization. Diagnostic tools. Hyper-parameters tuning. M. Kanevski, Palermo 2009 78
  • 79. Topics for the research • Multitask learning • Automatic feature selection/ feature extraction • Uncertainties characterisation • Understanding and visluation of high dimensional data • Modelling on geomanifold, semi-supervised learning • Active learning • MLA and simulations? • …………………………………………………… M. Kanevski, Palermo 2009 79
  • 80. Thank you for your attention! www.geokernels.org 2004 2008 2009 www.unil.ch/igar M. Kanevski, Palermo 2009 80