Statistical Data Analysis
2017/18
                 London Postgraduate Lectures on Particle Physics;
                 University of London MSci course PH4515
                             Glen Cowan
                             Physics Department
                             Royal Holloway, University of London
                             g.cowan@rhul.ac.uk
                             www.pp.rhul.ac.uk/~cowan
       Course web page (moodle links to here):
              www.pp.rhul.ac.uk/~cowan/stat_course.html
G. Cowan                    Statistical Data Analysis / Stat 1       1
       Course structure
    The main lectures are from 3:00 to 5:00 and will cover
    statistical data analysis.
    There is no assessed element in computing per se, although the
    coursework will use C++.
    Through week 6 the hour from 5:00 to 6:00 will be a crash
    course in C++ (non-assessed, attend as needed).
    From week 7, the hour from 5:00 to 6:00 will be used to discuss
    the coursework and go over additional examples.
G. Cowan                    Statistical Data Analysis / Stat 1        2
      Coursework, exams, etc.
    9 problem sheets, provisionally due weeks 3 through 11.
    Problems will only cover statistical data analysis, but for some
    problem sheets you will write simple C++ programs.
    Please turn in your problem sheets on paper, Mondays at our
    lectures. Please staple the pages and indicate on the sheet your
    name, College and degree programme (PhD, MSc, MSci).
    In general email or late submissions are not allowed unless due
    to exceptional circumstances and agreed with me.
    For MSc/MSci students: problem sheets count 20% of the
    mark; written exam at end of year (80%).
    For PhD students: assessment entirely through coursework; no
    material from this course in exam (~early next year).
G. Cowan                     Statistical Data Analysis / Stat 1        3
              Computing
    The coursework includes C++ computing in a linux
    environment.
    For PhD students, use your own accounts – usual HEP setup
    should be OK.
    The computing problems require specific software (ROOT and
    its class library) – cannot just use e.g. visual C++.
    Therefore for MSc/MSci students, you will get an account on
    the RHUL linux cluster. You then only need to be able to create
    an X-Window on your local machine, and from there you
    remotely login to RHUL.
    For mac, install XQuartz from xquartz.macosforge.org and
    open a terminal window.
    For windows, various options, e.g., mobaXterm or cygwin/X
    (see course page near bottom “information on computing”).
G. Cowan                    Statistical Data Analysis / Stat 1        4
                Statistical Data Analysis Outline
           1    Probability, Bayes’ theorem
           2    Random variables and probability densities
           3    Expectation values, error propagation
           4    Catalogue of pdfs
           5    The Monte Carlo method
           6    Statistical tests: general concepts
           7    Test statistics, multivariate methods
           8    Goodness-of-fit tests
           9    Parameter estimation, maximum likelihood
           10   More maximum likelihood
           11   Method of least squares
           12   Interval estimation, setting limits
           13   Nuisance parameters, systematic uncertainties
           14   Examples of Bayesian approach
G. Cowan                    Statistical Data Analysis / Stat 1   5
   Some statistics books, papers, etc.
   G. Cowan, Statistical Data Analysis, Clarendon, Oxford, 1998
   R.J. Barlow, Statistics: A Guide to the Use of Statistical Methods in
   the Physical Sciences, Wiley, 1989
   Ilya Narsky and Frank C. Porter, Statistical Analysis Techniques in
   Particle Physics, Wiley, 2014.
   L. Lyons, Statistics for Nuclear and Particle Physics, CUP, 1986
   F. James., Statistical and Computational Methods in Experimental
   Physics, 2nd ed., World Scientific, 2006
   S. Brandt, Statistical and Computational Methods in Data
   Analysis, Springer, New York, 1998 (with program library on CD)
   C. Patrignani et al. (Particle Data Group), Review of Particle
   Physics, Chin. Phys. C, 40, 100001 (2016); see also pdg.lbl.gov
   sections on probability, statistics, Monte Carlo
G. Cowan                    Statistical Data Analysis / Stat 1             6
     Data analysis in particle physics
                            Observe events of a certain type
      Measure characteristics of each event (particle momenta,
      number of muons, energy of jets,...)
      Theories (e.g. SM) predict distributions of these properties
      up to free parameters, e.g., α, GF, MZ, αs, mH, ...
      Some tasks of data analysis:
              Estimate (measure) the parameters;
              Quantify the uncertainty of the parameter estimates;
              Test the extent to which the predictions of a theory
              are in agreement with the data.
G. Cowan                     Statistical Data Analysis / Stat 1      7
    Dealing with uncertainty
     In particle physics there are various elements of uncertainty:
            theory is not deterministic
                    quantum mechanics
            random measurement errors
                  present even without quantum effects
            things we could know in principle but don’t
                   e.g. from limitations of cost, time, ...
     We can quantify the uncertainty using PROBABILITY
G. Cowan                      Statistical Data Analysis / Stat 1      8
   A definition of probability
     Consider a set S with subsets A, B, ...
                                                                   Kolmogorov
                                                                   axioms (1933)
    From these axioms we can derive further properties, e.g.
G. Cowan                      Statistical Data Analysis / Stat 1                   9
    Conditional probability, independence
    Also define conditional probability of A given B (with P(B) ≠ 0):
    E.g. rolling dice:
    Subsets A, B independent if:
     If A, B independent,
     N.B. do not confuse with disjoint subsets, i.e.,
G. Cowan                      Statistical Data Analysis / Stat 1        10
    Interpretation of probability
    I. Relative frequency
           A, B, ... are outcomes of a repeatable experiment
    cf. quantum mechanics, particle scattering, radioactive decay...
    II. Subjective probability
           A, B, ... are hypotheses (statements that are true or false)
    • Both interpretations consistent with Kolmogorov axioms.
    • In particle physics frequency interpretation often most useful,
    but subjective probability can provide more natural treatment of
    non-repeatable phenomena:
       systematic uncertainties, probability that Higgs boson exists,...
G. Cowan                     Statistical Data Analysis / Stat 1            11
      Bayes’ theorem
    From the definition of conditional probability we have,
                                  and
      but                                , so
                                                                 Bayes’ theorem
   First published (posthumously) by the
   Reverend Thomas Bayes (1702−1761)
   An essay towards solving a problem in the
   doctrine of chances, Philos. Trans. R. Soc. 53
   (1763) 370; reprinted in Biometrika, 45 (1958) 293.
G. Cowan                    Statistical Data Analysis / Stat 1                    12
   The law of total probability                                   B
    Consider a subset B of
    the sample space S,           S
    divided into disjoint subsets Ai                                             Ai
    such that ∪i Ai = S,
                                                                      B ∩ Ai
    →
     →
     →                                                law of total probability
      Bayes’ theorem becomes
G. Cowan                     Statistical Data Analysis / Stat 1                       13
   An example using Bayes’ theorem
   Suppose the probability (for anyone) to have a disease D is:
                                          ← prior probabilities, i.e.,
                                            before any test carried out
   Consider a test for the disease: result is + or -
                                        ← probabilities to (in)correctly
                                          identify a person with the disease
                                        ← probabilities to (in)correctly
                                          identify a healthy person
   Suppose your result is +. How worried should you be?
G. Cowan                      Statistical Data Analysis / Stat 1           14
     Bayes’ theorem example (cont.)
   The probability to have the disease given a + result is
                                     ← posterior probability
   i.e. you’re probably OK!
   Your viewpoint: my degree of belief that I have the disease is 3.2%.
   Your doctor’s viewpoint: 3.2% of people like this have the disease.
G. Cowan                      Statistical Data Analysis / Stat 1         15
  Frequentist Statistics − general philosophy
   In frequentist statistics, probabilities are associated only with
   the data, i.e., outcomes of repeatable observations (shorthand:      ).
           Probability = limiting frequency
   Probabilities such as
           P (Higgs boson exists),
           P (0.117 < αs < 0.121),
   etc. are either 0 or 1, but we don’t know which.
   The tools of frequentist statistics tell us what to expect, under
   the assumption of certain probabilities, about hypothetical
   repeated observations.
       The preferred theories (models, hypotheses, ...) are those for
       which our observations would be considered ‘usual’.
G. Cowan                      Statistical Data Analysis / Stat 1             16
   Bayesian Statistics − general philosophy
   In Bayesian statistics, use subjective probability for hypotheses:
   probability of the data assuming
   hypothesis H (the likelihood)                                       prior probability, i.e.,
                                                                       before seeing the data
   posterior probability, i.e.,                        normalization involves sum
   after seeing the data                               over all possible hypotheses
   Bayes’ theorem has an “if-then” character: If your prior
   probabilities were π (H), then it says how these probabilities
   should change in the light of the data.
          No general prescription for priors (subjective!)
G. Cowan                          Statistical Data Analysis / Stat 1                              17
   Random variables and probability density functions
   A random variable is a numerical characteristic assigned to an
   element of the sample space; can be discrete or continuous.
   Suppose outcome of experiment is continuous value x
   → f(x) = probability density function (pdf)
                                             x must be somewhere
     Or for discrete outcome xi with e.g. i = 1, 2, ... we have
                               probability mass function
                               x must take on one of its possible values
G. Cowan                      Statistical Data Analysis / Stat 1           18
   Cumulative distribution function
   Probability to have outcome less than or equal to x is
                                            cumulative distribution function
   Alternatively define pdf with
G. Cowan                     Statistical Data Analysis / Stat 1                19
       Histograms
   pdf = histogram with
       infinite data sample,
       zero bin width,
       normalized to unit area.
G. Cowan                      Statistical Data Analysis / Stat 1   20
     Multivariate distributions
   Outcome of experiment charac-
   terized by several values, e.g. an
   n-component vector, (x1, ... xn)
              joint pdf
     Normalization:
G. Cowan                     Statistical Data Analysis / Stat 1   21
     Marginal pdf
   Sometimes we want only pdf of
   some (or one) of the components:
    → marginal pdf
     x1, x2 independent if
G. Cowan                     Statistical Data Analysis / Stat 1       22
           Marginal pdf (2)
                                         Marginal pdf ~
                                         projection of joint pdf
                                         onto individual axes.
G. Cowan                  Statistical Data Analysis / Stat 1       23
    Conditional pdf
   Sometimes we want to consider some components of joint pdf as
   constant. Recall conditional probability:
   → conditional pdfs:
    Bayes’ theorem becomes:
    Recall A, B independent if
     → x, y independent if
G. Cowan                     Statistical Data Analysis / Stat 1    24
    Conditional pdfs (2)
   E.g. joint pdf f(x,y) used to find conditional pdfs h(y|x1), h(y|x2):
   Basically treat some of the r.v.s as constant, then divide the joint
   pdf by the marginal pdf of those variables being held constant so
   that what is left has correct normalization, e.g.,
G. Cowan                       Statistical Data Analysis / Stat 1          25
     Functions of a random variable
      A function of a random variable is itself a random variable.
      Suppose x follows a pdf f(x), consider a function a(x).
      What is the pdf g(a)?
                                             dS = region of x space for which
                                             a is in [a, a+da].
                                             For one-variable case with unique
                                             inverse this is simply
G. Cowan                      Statistical Data Analysis / Stat 1                26
   Functions without unique inverse
      If inverse of a(x) not unique,
      include all dx intervals in dS
      which correspond to da:
       Example:
G. Cowan                      Statistical Data Analysis / Stat 1   27
       Functions of more than one r.v.
       Consider r.v.s                         and a function
       dS = region of x-space between (hyper)surfaces defined by
G. Cowan                    Statistical Data Analysis / Stat 1     28
    Functions of more than one r.v. (2)
    Example: r.v.s x, y > 0 follow joint pdf f(x,y),
    consider the function z = xy. What is g(z)?
                                             (Mellin convolution)
G. Cowan                      Statistical Data Analysis / Stat 1    29
    More on transformation of variables
    Consider a random vector                                       with joint pdf
     Form n linearly independent functions
     for which the inverse functions                                    exist.
      Then the joint pdf of the vector of functions is
      where J is the
      Jacobian determinant:
      For e.g.         integrate              over the unwanted components.
G. Cowan                      Statistical Data Analysis / Stat 1                    30
    Expectation values
   Consider continuous r.v. x with pdf f (x).
   Define expectation (mean) value as
   Notation (often):                      ~ “centre of gravity” of pdf.
   For a function y(x) with pdf g(y),
                                                                  (equivalent)
   Variance:
   Notation:
   Standard deviation:
   σ ~ width of pdf, same units as x.
G. Cowan                     Statistical Data Analysis / Stat 1                  31
   Covariance and correlation
   Define covariance cov[x,y] (also use matrix notation Vxy) as
   Correlation coefficient (dimensionless) defined as
   If x, y, independent, i.e.,                                         , then
   →                             x and y, ‘uncorrelated’
   N.B. converse not always true.
G. Cowan                          Statistical Data Analysis / Stat 1            32
    Correlation (cont.)
G. Cowan                  Statistical Data Analysis / Stat 1   33
    Error propagation
    Suppose we measure a set of values
    and we have the covariances
    which quantify the measurement errors in the xi.
             Now consider a function
             What is the variance of
    The hard way: use joint pdf                    to find the pdf
     then from g(y) find V[y] = E[y2] - (E[y])2.
     Often not practical,         may not even be fully known.
G. Cowan                      Statistical Data Analysis / Stat 1     34
    Error propagation (2)
    Suppose we had
           in practice only estimates given by the measured
    Expand         to 1st order in a Taylor series about
     To find V[y] we need E[y2] and E[y].
                             since
G. Cowan                     Statistical Data Analysis / Stat 1   35
           Error propagation (3)
      Putting the ingredients together gives the variance of
G. Cowan                      Statistical Data Analysis / Stat 1   36
           Error propagation (4)
      If the xi are uncorrelated, i.e.,                              then this becomes
      Similar for a set of m functions
      or in matrix notation                                where
G. Cowan                        Statistical Data Analysis / Stat 1                       37
      Error propagation (5)
      The ‘error propagation’ formulae tell us the                      y(x)
      covariances of a set of functions
                                                                    σy
                                        in terms of
                                                                                    x
      the covariances of the original variables.                               σx
           Limitations: exact only if       linear.                     y(x)
           Approximation breaks down if function
           nonlinear over a region comparable                       ?
           in size to the σi.                                                       x
                                                                               σx
     N.B. We have said nothing about the exact pdf of the xi,
     e.g., it doesn’t have to be Gaussian.
G. Cowan                       Statistical Data Analysis / Stat 1                       38
           Error propagation − special cases
                        →
       That is, if the xi are uncorrelated:
               add errors quadratically for the sum (or difference),
               add relative errors quadratically for product (or ratio).
                   But correlations can change this completely...
G. Cowan                      Statistical Data Analysis / Stat 1           39
    Error propagation − special cases (2)
   Consider                   with
     Now suppose ρ = 1. Then
      i.e. for 100% correlation, error in difference → 0.
G. Cowan                      Statistical Data Analysis / Stat 1   40
           Short catalogue of distributions
   We will now run through a short catalog of probability functions
   and pdfs.
             For each (usually) show expectation value, variance,
             a plot and discuss some properties and applications.
   See also chapter on probability from pdg.lbl.gov
   For a more complete catalogue see e.g. the handbook on
   statistical distributions by Christian Walck from
   www.fysik.su.se/~walck/suf9601.pdf
G. Cowan                      Statistical Data Analysis / Stat 1      41
       Some distributions
           Distribution/pdf    Example use in HEP
           Binomial            Branching ratio
           Multinomial         Histogram with fixed N
           Poisson             Number of events found
           Uniform             Monte Carlo method
           Exponential         Decay time
           Gaussian            Measurement error
           Chi-square          Goodness-of-fit
           Cauchy              Mass of resonance
           Landau              Ionization energy loss
           Beta                Prior pdf for efficiency
           Gamma               Sum of exponential variables
           Student’s t         Resolution function with adjustable tails
G. Cowan                      Statistical Data Analysis / Stat 1           42
           Binomial distribution
      Consider N independent experiments (Bernoulli trials):
            outcome of each is ‘success’ or ‘failure’,
            probability of success on any given trial is p.
      Define discrete r.v. n = number of successes (0 ≤ n ≤ N).
      Probability of a specific outcome (in order), e.g. ‘ssfsf’ is
      But order not important; there are
      ways (permutations) to get n successes in N trials, total
      probability for n is sum of probabilities for each permutation.
G. Cowan                       Statistical Data Analysis / Stat 1       43
     Binomial distribution (2)
      The binomial distribution is therefore
           random      parameters
           variable
      For the expectation value and variance we find:
G. Cowan                     Statistical Data Analysis / Stat 1   44
     Binomial distribution (3)
      Binomial distribution for several values of the parameters:
      Example: observe N decays of W±, the number n of which are
      W→µν is a binomial r.v., p = branching ratio.
G. Cowan                     Statistical Data Analysis / Stat 1     45
      Multinomial distribution
    Like binomial but now m outcomes instead of two, probabilities are
    For N trials we want the probability to obtain:
            n1 of outcome 1,
            n2 of outcome 2,
                    ⠇
            nm of outcome m.
     This is the multinomial distribution for
G. Cowan                     Statistical Data Analysis / Stat 1      46
    Multinomial distribution (2)
    Now consider outcome i as ‘success’, all others as ‘failure’.
           → all ni individually binomial with parameters N, pi
                                                                     for all i
     One can also find the covariance to be
     Example:                                   represents a histogram
     with m bins, N total entries, all entries independent.
G. Cowan                        Statistical Data Analysis / Stat 1               47
    Poisson distribution
  Consider binomial n in the limit
  → n follows the Poisson distribution:
 Example: number of scattering events
 n with cross section σ found for a fixed
 integrated luminosity, with
G. Cowan                    Statistical Data Analysis / Stat 1   48
    Uniform distribution
    Consider a continuous r.v. x with -∞ < x < ∞ . Uniform pdf is:
     N.B. For any r.v. x with cumulative distribution F(x),
     y = F(x) is uniform in [0,1].
     Example: for π0 → γγ, Eγ is uniform in [Emin, Emax], with
G. Cowan                     Statistical Data Analysis / Stat 1      49
    Exponential distribution
    The exponential pdf for the continuous r.v. x is defined by:
     Example: proper decay time t of an unstable particle
                                    (τ = mean lifetime)
    Lack of memory (unique to exponential):
G. Cowan                     Statistical Data Analysis / Stat 1    50
      Gaussian distribution
    The Gaussian (normal) pdf for a continuous r.v. x is defined by:
                   (N.B. often µ, σ2 denote
                   mean, variance of any
                   r.v., not only Gaussian.)
     Special case: µ = 0, σ2 = 1 (‘standard Gaussian’):
      If y ~ Gaussian with µ, σ2, then x = (y - µ) /σ follows φ(x).
G. Cowan                      Statistical Data Analysis / Stat 1       51
    Gaussian pdf and the Central Limit Theorem
    The Gaussian pdf is so useful because almost any random
    variable that is a sum of a large number of small contributions
    follows it. This follows from the Central Limit Theorem:
    For n independent r.v.s xi with finite variances σi2, otherwise
    arbitrary pdfs, consider the sum
    In the limit n → ∞, y is a Gaussian r.v. with
    Measurement errors are often the sum of many contributions, so
    frequently measured values can be treated as Gaussian r.v.s.
G. Cowan                     Statistical Data Analysis / Stat 1       52
                   Central Limit Theorem (2)
    The CLT can be proved using characteristic functions (Fourier
    transforms), see, e.g., SDA Chapter 10.
           For finite n, the theorem is approximately valid to the
           extent that the fluctuation of the sum is not dominated by
           one (or few) terms.
               Beware of measurement errors with non-Gaussian tails.
    Good example: velocity component vx of air molecules.
    OK example: total deflection due to multiple Coulomb scattering.
    (Rare large angle deflections give non-Gaussian tail.)
    Bad example: energy loss of charged particle traversing thin
    gas layer. (Rare collisions make up large fraction of energy loss,
    cf. Landau pdf.)
G. Cowan                        Statistical Data Analysis / Stat 1       53
    Multivariate Gaussian distribution
    Multivariate Gaussian pdf for the vector
           are column vectors,                   are transpose (row) vectors,
     For n = 2 this is
    where ρ = cov[x1, x2]/(σ1σ2) is the correlation coefficient.
G. Cowan                     Statistical Data Analysis / Stat 1                 54
    Chi-square (χ2) distribution
    The chi-square pdf for the continuous r.v. z (z ≥ 0) is defined by
     n = 1, 2, ... = number of ‘degrees of
                     freedom’ (dof)
     For independent Gaussian xi, i = 1, ..., n, means µi, variances σi2,
                                   follows χ2 pdf with n dof.
    Example: goodness-of-fit test variable especially in conjunction
    with method of least squares.
G. Cowan                      Statistical Data Analysis / Stat 1            55
     Cauchy (Breit-Wigner) distribution
    The Breit-Wigner pdf for the continuous r.v. x is defined by
           (Γ = 2, x0 = 0 is the Cauchy pdf.)
    E[x] not well defined, V[x] →∞.
    x0 = mode (most probable value)
    Γ = full width at half maximum
           Example: mass of resonance particle, e.g. ρ, K*, φ0, ...
           Γ = decay rate (inverse of mean lifetime)
G. Cowan                         Statistical Data Analysis / Stat 1   56
    Landau distribution
    For a charged particle with β = ν /c traversing a layer of matter
    of thickness d, the energy loss Δ follows the Landau pdf:
                                                                             Δ
                                                                  β
                                                                      +-+-
                                                                      -+-+
    L. Landau, J. Phys. USSR 8 (1944) 201; see also
    W. Allison and J. Cobb, Ann. Rev. Nucl. Part. Sci. 30 (1980) 253.
G. Cowan                     Statistical Data Analysis / Stat 1                  57
    Landau distribution (2)
           Long ‘Landau tail’
             → all moments ∞
           Mode (most probable
           value) sensitive to β ,
              → particle i.d.
G. Cowan                         Statistical Data Analysis / Stat 1   58
   Beta distribution
    Often used to represent pdf
    of continuous r.v. nonzero only
    between finite limits.
G. Cowan                     Statistical Data Analysis / Stat 1   59
    Gamma distribution
   Often used to represent pdf
   of continuous r.v. nonzero only
   in [0,∞].
   Also e.g. sum of n exponential
   r.v.s or time until nth event
   in Poisson process ~ Gamma
G. Cowan                    Statistical Data Analysis / Stat 1   60
   Student's t distribution
  ν = number of degrees of freedom
      (not necessarily integer)
  ν = 1 gives Cauchy,
  ν → ∞ gives Gaussian.
G. Cowan                  Statistical Data Analysis / Stat 1   61
    Student's t distribution (2)
    If x ~ Gaussian with µ = 0, σ2 = 1, and
       z ~ χ2 with n degrees of freedom, then
       t = x / (z/n)1/2 follows Student's t with ν = n.
    This arises in problems where one forms the ratio of a sample
    mean to the sample standard deviation of Gaussian r.v.s.
    The Student's t provides a bell-shaped pdf with adjustable
    tails, ranging from those of a Gaussian, which fall off very
    quickly, (ν → ∞, but in fact already very Gauss-like for
    ν = two dozen), to the very long-tailed Cauchy (ν = 1).
    Developed in 1908 by William Gosset, who worked under
    the pseudonym "Student" for the Guinness Brewery.
G. Cowan                      Statistical Data Analysis / Stat 1    62
           Extra slides
G. Cowan          Statistical Data Analysis / Stat 1   63
             Theory ↔ Statistics ↔ Experiment
    Theory (model, hypothesis):                                 Experiment:
                                                                              + data
                                                                              selection
   + simulation
   of detector
   and cuts
G. Cowan                   Statistical Data Analysis / Stat 1                         64
     Data analysis in particle physics
   Observe events (e.g., pp collisions) and for each, measure
   a set of characteristics:
           particle momenta, number of muons, energy of jets,...
   Compare observed distributions of these characteristics to
   predictions of theory. From this, we want to:
      Estimate the free parameters of the theory:
      Quantify the uncertainty in the estimates:
      Assess how well a given theory stands in agreement
      with the observed data:
    To do this we need a clear definition of PROBABILITY
G. Cowan                     Statistical Data Analysis / Stat 1    65
           Data analysis in particle physics:
                  testing hypotheses
    Test the extent to which a given model agrees with the data:
                ALEPH, Phys. Rept. 294 (1998) 1-165
                     data
                                                                 spin-1/2 quark
                                                                 model “good”
                                                                 spin-0 quark
                                                                 model “bad”
                                                                In general need tests
                                                                with well-defined properties
                                                                and quantitative results.
G. Cowan                             Statistical Data Analysis / Stat 1                   66