Probability bounds analysis Scott Ferson, scott@ramas.com 2 October 2007, Stony Brook University, MAR 550, Challenger 165 Outline • P-boxes: marrying intervals and probability • Calculations via the Cartesian product • Getting p-boxes – Moment and shape constraints – From empirical data • • • • • • • Dependence Model uncertainty Updating Backcalculation Sensitivity analysis Differential equations Conclusions Examples Dike reliability PCBs and duck hunters Dioxin inhalation Hydrocarbon plume Typical risk analysis problems • Sometimes little or even no data – Updating is rarely used • Very simple arithmetic (or logical) calculations – Occasionally, finite element meshes or differential equations • Usually small in number of inputs – Nuclear power plants are the exception • Results are important and often high profile – But the approach is being used ever more widely Probability vs. intervals • Probability theory – Can handle likelihoods and dependence well – Has an inadequate model of ignorance – Lying: saying more than you really know • Interval analysis – Can handle epistemic uncertainty (ignorance) well – Inadequately models frequency and dependence – Cowardice: saying less than you know What’s needed • Reliable, conservative assessments of tail risks • Using available information but without forcing analysts to make unjustified assumptions • Neither computationally expensive nor intellectually taxing Deterministic calculation Probabilistic convolution Second-order probability Interval analysis Probability bounds analysis Probability box (p-box) Cumulative probability Interval bounds on an cumulative distribution function (CDF) 1 0 0.0 1.0 X 2.0 3.0 Generalizes an “uncertain number” Cumulative probability Probability distribution Probability box Interval 1 1 1 0 0 0 0 10 20 30 40 10 20 30 40 10 20 Not a uniform distribution 30 Probability bounds analysis • Marries intervals with probability theory • Distinguishes variability and incertitude • Solves many problems in uncertainty analysis – Input distributions unknown – Imperfectly known correlation and dependency – Large measurement error, censoring, small sample sizes – Model uncertainty Calculations • All standard mathematical operations – – – – – – Arithmetic operations (+, , ×, ÷, ^, min, max) Logical operations (and, or, not, if, etc.) Transformations (exp, ln, sin, tan, abs, sqrt, etc.) Backcalculation (deconvolutions, updating) Magnitude comparisons (<, ≤, >, ≥, ) Other operations (envelope, mixture, etc.) • Faster than Monte Carlo • Guaranteed to bounds answer • Good solutions often easy to compute Faithful generalization • When inputs are distributions, its answers conform with probability theory • When inputs are intervals, it agrees with interval analysis 1 Cumulative Probability Cumulative Probability Probability bounds arithmetic A 0 0 1 2 3 4 5 6 1 B 0 0 2 4 6 What’s the sum of A+B? 8 10 12 14 Cartesian product A+B A[1,3] p1 = 1/3 A[2,4] p2 = 1/3 A[3,5] p3 = 1/3 B[2,8] q1 = 1/3 A+B[3,11] prob=1/9 A+B[4,12] prob=1/9 A+B[5,13] prob=1/9 B[6,10] q2 = 1/3 A+B[7,13] prob=1/9 A+B[8,14] prob=1/9 A+B[9,15] prob=1/9 B[8,12] q3 = 1/3 A+B[9,15] prob=1/9 A+B[10,16] prob=1/9 A+B[11,17] prob=1/9 independence Cumulative probability A+B under independence 1.00 0.75 0.50 Rigorous Best possible 0.25 0.00 0 3 6 9 A+B 12 15 18 Case study: dike reliability revetment blocks wave sea level D H tan() Z = D —————— cos() M s (all variables ) Inputs • relative density of the revetment blocks [1.60, 1.65] • revetment blocks thickness D [0.68, 0.72] meters • slope of the revetment arc tangent([0.32, 0.34]) = [ 0.309, 0.328] radians • model parameter M [3.0, 5.2] • significant wave height H ~ Weibull(scale = [1.2,1.5] meters, shape = [10,12]) • offshore peak wave steepness s ~ normal(mean = [0.039,0.041], stdev = [0.005,0.006]) Cumulative probability 1 1 1 0 1.5 D 1.6 1.7 1 0 0 0.6 0.7 1 0.3 M 0.4 1 2 0.04 0.06 meters 1 s 0 radians 0 0.8 meters 0 0.2 H 2 3 4 5 6 0 0.02 Discretize each p-box Probability 1 H 0 0 1 meters 2 100 100 Cartesian product H Z( ,D,M, ,H,s) Independent s [0, 1.02] 0.01 [0.76, 1.08] 0.01 [0.81, 1.12] 0.01 … [1.34, 1.75] 0.01 [1.36, 1.77] 0.01 [0.0235, 0.0294] [0.290,1.19] [0.242, 0.903] [0.213, 0.882] s 0.01 0.0001 0.0001 0.0001 [0.275, 0.682] 0.0001 [0.294, 0.675] 0.0001 [0.0250, 0.0307] [0.314, 1.19] [0.268, 0.909] [0.239, 0.889] 0.01 0.0001 0.0001 0.0001 .. .. . . [0.0493, 0.0550] [0.536, 1.19] [0.503, 0.980] [0.483, 0.965] 0.01 0.0001 0.0001 0.0001 [0.233, 0.693] 0.0001 [0.252, 0.686] 0.0001 [0.145, 0.818] 0.0001 [0.132, 0.813] 0.0001 [0.0506, 0.0565] [0.544, 1.19] [0.511, 0.983] [0.491, 0.968] 0.01 0.0001 0.0001 0.0001 [0.158, 0.823] 0.0001 [0.145, 0.818] 0.0001 Each cell is an interval calculation Z1,1 D H1 tan( ) cos() M s1 [1.60, 1.65] [0.68, 0.72] meters [0,1.02] tan [0.309, 0.328] radians cos[0.309, 0.328] radians [3.0, 5.2] [0.0235, 0.294] [0.290, 1.19] meters Note that variable is uncertain and repeated, but it does not lead to an inflation of the uncertainty because the function is monotone increasing over the range of ’s uncertainty Reliability function Reassembled from 10,000 intervals 1 0 0 PBA says the risk Z is less than zero is less than 0.044 Monte Carlo said this risk is about 0.000014 1 Implementation in R levels <- 100 delta.1 <- 1.60; Lower D.1 <- 0.68; alpha.1 <- atan(0.32); endpoints M.1 <- 3.0; alpha.1 <- atan(0.32); R.1 <- tan(alpha.1) / cos(alpha.1); delta.2 <- 1.65 Upper D.2 <- 0.72 alpha.2 <- atan(0.34) endpoints M.2 <- 5.2 alpha.2 <- atan(0.34) R.2 <- tan(alpha.2) / cos(alpha.2) slice <- function(p, df, a1, a2, b1, b2) { w <- do.call(df, list(p,a1, b1)); x <- do.call(df, list(p,a1, b2)); y <- do.call(df, list(p,a2, b1)); z <- do.call(df, list(p,a2, b2)); list(one=pmin(w,x,y,z)[1:levels], two=pmax(w,x,y,z)[2:(levels+1)]) } p <- c(0.005, 1:(levels-1)/levels, 0.995) H <- slice(p,'qweibull',10,12, 1.2,1.5); Cartesian product s <- slice(p,'qnorm', 0.039,0.041, 0.005,0.006) Hs.1 <- as.vector(outer(H$one, sqrt(s$two), '/')); Hs.2 <- as.vector(outer(H$two, sqrt(s$one), '/')) Zb.1 <- delta.1 * D.1 - (Hs.2 * R.2) / M.1; Zb.2 <- delta.2 * D.2 - (Hs.1 * R.1) / M.2 Zb.1 <- sort(Zb.1); Zb.2 <- sort(Zb.2) Zb <- c(Zb.1,Zb.2); L <- length(Zb)/2 plot(Zb, rep(1:L/L,2), t='s', xlab='Z', ylab='CDF', ylim=c(0,1)); lines(c(Zb.2[1],Zb.2[1]),c(1,0),col='white') Monte Carlo simulation many <- 1000000 delta <- runif(many,1.60, 1.65) Intervals replaced by D <- runif(many,0.68, 0.72) uniform distributions or, alpha <- atan(runif(many,0.32, 0.34)) if they’re parameters, by M <- runif(many,3.0, 5.2) H <- rweibull(many, 11, 1.35) # parm order reversed their midpoint values s <- rnorm(many,0.04, 0.0055) Zp <- delta * D - (H * tan(alpha) / cos(alpha)) / (M * sqrt(s)) risk = Zp[Zp<0] length(risk)/many [1] 1.6e-05 Zp <- Zp[1:2000] # else plotting takes too long plot(sort(Zp), 1:length(Zp)/many, t='s', xlab='T', ylab='Probability', ylim=c(0,1)) Selecting p-box inputs Where do we get p-boxes? • • • • • Assumption Modeling Robust Bayesian analysis Constraint propagation Data with incertitude – Measurement error – Sampling error – Censoring 1 1 CDF Constraint propagation .5 0 min max 1 0 0 min median max 1 min mean 1 0 1 max 0 min 0 min mode max 1 mean=mode max 1 mean, sd 0 0 min median=mode max 1 symmetric, mean, sd 0 min mean, sd max (Maximum entropy erases uncertainty) Data of poor repute Data sets whose values are intervals All measurements are actually intervals Generalize empirical distributions to p-boxes Censoring is sometimes significant Model intervals as uniform distributions “Interval uncertainty doesn’t exist in real life” -Tony O’Hagan Ignore intervals or model them as uniforms Incertitude is common in data • Periodic observations When did the fish in my aquarium die during the night? • Plus-or-minus measurement uncertainties Coarse measurements, measurements from digital readouts • Non-detects and data censoring Chemical detection limits, studies prematurely terminated • Privacy requirements Epidemiological or medical information, census data • Theoretical constraints Concentrations, solubilities, probabilities, survival rates • Bounding studies Presumed or hypothetical limits in what-if calculations A tale of two data sets Skinny Puffy [1.00, 1.52] [2.68, 2.98] [7.52, 7.67] [7.73, 8.35] [9.44, 9.99] [3.66, 4.58] [3.5, 6.4] [6.9, 8.8] [6.1, 8.4] [2.8, 6.7] [3.5, 9.7] [6.5, 9.9] [0.15, 3.8] [4.5, 4.9] [7.1, 7.9] 0 2 4 6 8 10 6 8 10 x 0 2 4 x Cumulative probability Empirical p-boxes 1 1 Skinny Puffy 0 0 0 2 4 6 x 8 10 0 2 4 6 x 8 10 Many possible precise data sets Cumulative probability 1 Puffy 0 0 2 4 x 6 8 10 Statistics for data that are intervals • Some statistics are easy to compute • Empirical distribution, mean, median, percentiles, etc. • Some are tricky, but easy for a computer • Variance, upper confidence limit, correlation, etc. • Tradeoff between more versus better data • Review just published as a Sandia report P-box parameter fitting • Method of matching moments • Regression approaches • Maximum likelihood Method of matching moments • Mean, variance, etc. are now intervals • Very easy for one-parameter distributions • In general, moments are dependent (The largest mean cannot be associated with the largest variance) • Envelope distributions that extremize the moments • Resulting p-boxes represent the assumptions about the shape family as informed by the available data Cumulative probability Cumulative probability 1 1 Exponential Skinny 0 0 10 20 30 Exponential Puffy 40 1 0 10 20 30 40 1 Normal Skinny 0 0 0 Normal Puffy x 10 20 0 0 x 10 20 Sampling uncertainty • When you’ve measured only part of a population • Kolmogorov-Smirnov confidence intervals – Distribution-free – Assumes only random sampling • Parametric versions – normal, lognormal, exponential, Weibull, etc. • Bound the whole distribution “95% of the time, the true distribution falls entirely inside the limits” Distributional confidence limits Cumulative probability 1.0 0.8 0.6 Kolmogorov-Smirnov (distribution-free) 0.4 0.2 Normal distribution 0.0 300000 350000 400000 450000 500000 Volumetric heat capacity, Cp (J/m3°C) Confidence limits on p-boxes Cumulative probability 1 95% KS confidence limits Skinny and Puffy pooled (n = 15) 0 0 5 x 10 Uncertainties expressible with p-boxes • Sampling uncertainty – Distributional confidence limits • Measurement incertitude – Intervals • Uncertainty about distribution shape – Constraints (non-parametric p-boxes) • Surrogacy uncertainty – Modeling Example: PCBs and duck hunters Location: Massachusetts and Connecticut Receptor: Adult human hunters of waterfowl Contaminant: PCBs (polychorinated biphenyls) Exposure route: dietary consumption of contaminated waterfowl Based on the assessment for non-cancer risks from PCB to adult hunters who consume contaminated waterfowl described in Human Health Risk Assessment: GE/Housatonic River Site: Rest of River, Volume IV, DCN: GE-031203-ABMP, April 2003, Weston Solutions (West Chester, Pennsylvania), Avatar Environmental (Exton, Pennsylvania), and Applied Biomathematics (Setauket, New York). Hazard quotient EF IR C 1 LOSS HQ AT BW RfD {min, max, mean, std} EF = mmms(1, 52, 5.4, 10) meals per year // exposure frequency, censored data, n = 23 IR = mmms(1.5, 675, 188, 113) grams per meal // poultry ingestion rate from EPA’s EFH C = [7.1, 9.73] mg per kg // exposure point (mean) concentration LOSS = 0 // loss due to cooking AT = 365.25 days per year // averaging time (not just units conversion) BW = mixture(BWfemale, BWmale) // Brainard and Burmaster (1992) BWmale = lognormal(171, 30) pounds // adult male n = 9,983 BWfemale = lognormal(145, 30) pounds // adult female n = 10,339 RfD = 0.00002 mg per kg per day // reference dose considered tolerable Exceedance risk = 1 - CDF Inputs 1 1 EF 0 0 1 IR 10 20 30 40 50 60 meals per year 0 0 1 200 400 600 grams per meal males females 0 0 C BW 100 200 pounds 300 0 0 10 mg per kg 20 Results 1 Exceedance risk mean standard deviation median 95th percentile range [3.8, 31] [0, 186] [0.6, 55] [3.5 , 384] [0.01, 1230] 0 0 500 HQ 1000 Dependence Dependence • Not all variables are independent – Body size and skin surface area – “Common-cause” variables • Known dependencies should be modeled • What can we do when we don’t know them? How to do other dependencies? • Independent • Perfect (comonotonic) • Opposite (countermonotonic) Perfect dependence A+B A[1,3] p1 = 1/3 A[2,4] p2 = 1/3 A[3,5] p3 = 1/3 B[2,8] q1 = 1/3 A+B[3,11] prob=1/3 A+B[4,12] prob=0 A+B[5,13] prob=0 B[6,10] q2 = 1/3 A+B[7,13] prob=0 A+B[8,14] prob=1/3 A+B[9,15] prob=0 B[8,12] q3 = 1/3 A+B[9,15] prob=0 A+B[10,16] prob=0 A+B[11,17] prob=1/3 perfect positive Opposite dependence A+B A[1,3] p1 = 1/3 A[2,4] p2 = 1/3 A[3,5] p3 = 1/3 B[2,8] q1 = 1/3 A+B[3,11] prob=0 A+B[4,12] prob=0 A+B[5,13] prob=1/3 B[6,10] q2 = 1/3 A+B[7,13] prob=0 A+B[8,14] prob=1/3 A+B[9,15] prob=0 B[8,12] q3 = 1/3 A+B[9,15] prob= 1/3 A+B[10,16] prob=0 A+B[11,17] prob=0 opposite positive Cumulative probability Perfect and opposite dependencies 1 0 0 3 6 9 A+B 12 15 18 Uncertainty about dependence • Sensitivity analyses usually used – Vary correlation coefficient between 1 and +1 • But this underestimates the true uncertainty – Example: suppose X, Y ~ uniform(0,24) but we don’t know the dependence between X and Y Varying the correlation coefficient Cumulative probability 11 X, Y ~ uniform(0,24) 00 0 10 20 X+Y 30 40 50 Counterexample 1 Cumulative probability 30 20 Y 10 0 0 0 10 X 20 30 0 10 20 30 X+Y 40 50 What about other dependencies? • • • • • • • Independent Perfectly positive Opposite Positively or negatively associated Specified correlation coefficient Nonlinear dependence (copula) Unknown dependence Fréchet inequalities They make no assumption about dependence (Fréchet 1935) max(0, P(A)+P(B)–1) P(A & B) min(P(A), P(B)) max(P(A), P(B)) P(A B) min(1, P(A)+P(B)) Fréchet case (no assumption) A+B A[1,3] p1 = 1/3 A[2,4] p2 = 1/3 A[3,5] p3 = 1/3 B[2,8] q1 = 1/3 A+B[3,11] prob=[0,1/3] A+B[4,12] prob=[0,1/3] A+B[5,13] prob=[0,1/3] B[6,10] q2 = 1/3 A+B[7,13] prob=[0,1/3] A+B[8,14] prob=[0,1/3] A+B[9,15] prob=[0,1/3] B[8,12] q3 = 1/3 A+B[9,15] prob=[0,1/3] A+B[10,16] prob=[0,1/3] A+B[11,17] prob=[0,1/3] Fréchet case Cumulative Probability Naïve Fréchet case 1 This p-box is not best possible 0 0 3 6 9 A+B 12 15 18 Fréchet can be improved • Interval estimates of probabilities don’t reflect the fact that the sum must equal one – Resulting p-box is too fat • Linear programming needed to get the optimal answer using this approach • Frank, Nelsen and Sklar gave a way to compute the optimal answer directly Frank, Nelsen and Sklar (1987) If X ~ F and Y ~ G, then the distribution of X+Y is ,C ( F , G )( z ) dC F ( x), G( y) x y z where C is the copula between F and G. In any case, and irrespective of this dependence, this distribution is bounded by max F ( x) G( y ) 1, 0, inf min F ( x) G( y ), 1 zsup z x y x y This formula can be generalized to work with bounds on F and G. Cumulative Probability Best possible bounds 1 0 0 3 6 9 A+B 12 15 18 Unknown dependence Cumulative probability 1 Fréchet X,Y ~ uniform(1,24) 0 0 10 20 30 X+Y 40 50 Between independence and Fréchet • May know something about dependence that tightens better than Fréchet • Dependence is positive (PQD) P(X x, Y y) P(X x) P(Y y) for all x and y F ( x)G( y), zinf 1 1 F ( x) 1 G ( y ) zsup x y x y • Variables are uncorrelated Pearson correlation r is zero • Dependence is a particular kind Unknown but positive dependence Cumulative probability 1 Positive X,Y ~ uniform(1,24) 0 0 10 20 30 X+Y 40 50 Uncorrelated variables Cumulative probability 1 Uncorrelated X,Y ~ uniform(1,24) 0 0 10 20 30 X+Y 40 50 Varying correlation between 1 and +1 1 Cumulative probability Pearsonnormal X,Y ~ uniform(1,24) 0 0 10 20 30 X+Y 40 50 Can model dependence exactly too Cumulative probability 1 Frank (medial) 0.5 0 4 1 8 10 12 8 10 12 8 10 12 Mardia (Kendall) 0.5 0 4 1 6 Clayton 0.5 0 6 4 6 X+Y X ~ normal(5,1) Y ~ uniform(2,5) various correlations and dependence functions (copulas) Example: dioxin inhalation Location: Superfund site in California Receptor: adults in neighboring community Contaminant: dioxin Exposure route: inhalation of windborne soil Modified from Table II and IV in Copeland, T.L., A.M. Holbrow, J.M Otani, K.T. Conner and D.J. Paustenbach 1994. Use of probabilistic methods to understand the conservativism in California’s approach to assessing health risks posed by air contaminant. Journal of the Air and Waste Management Association 44: 1399-1413. Total daily intake from inhalation R = normal(20, 2) CGL = 2 Finh = uniform(0.46,1) ED = exponential(11) EF = uniform(0.58, 1) BW = normal(64.2, 13.19) AT = gumbel(70, 8) //respiration rate, m3/day //concentration at ground level, mg/m3 //fraction of particulates retained in lung, [unitless] //exposure duration, years //exposure frequency, fraction of a year //receptor body weight, kg //averaging time, years Input distributions 1 0 1 0 1 R 10 20 30 0.4 1 EF 0.6 0 0.8 1 0 1 Finh 0.6 0.8 1 50 0 0 1 BW 30 ED 70 90 0 20 40 60 AT 50 70 90 110 Results Exceedance risk 1 All variables mutually independent No assumptions about dependencies 0 0 1 TDI, mg kg1 day1 2 Uncertainty about dependence • Impossible with sensitivity analysis since it’s an infinite-dimensional problem • Kolmogorov-Fréchet bounding lets you be sure • Can be a large or a small consequence Model uncertainty Model uncertainty • Doubt about the structural form of the model • Usually incertitude rather than variability • Often the elephant in the middle of the room Uncertainty in probabilistic analyses • • • • • • Parameters Data surrogacy Distribution shape Intervariable dependence Arithmetic expression Level of abstraction model uncertainty General strategies • Sensitivity (what-if) studies • Probabilistic mixture • Bayesian model averaging • Enveloping and bounding analyses Sensitivity (what-if) studies • Simply re-computes the analysis with alternative assumptions – Intergovernmental Panel on Climate Change • No theory required to use or understand Example The function f is one of two possibilities. Either f(A,B) = fPlus(A,B) = A + B or f(A,B) = fTimes(A,B) = A B is the correct model, but the analyst does not know which. Suppose that A ~ triangular(2.6, 0, 2.6) and B ~ triangular(2.4, 5, 7.6). Cumulative probability 1 0.8 0.6 0.4 Plus Times 0.2 0 -15 -10 -5 0 X 5 10 15 Drawbacks of what-if • Consider a long-term model of the economy under global warming stress 3 baseline weather trends 3 emission scenarios 3 population models 3 mitigation plans 81 analyses to compute, and to document • Combinatorially complex as more model components are considered • Cumbersome to summarize results Probabilistic mixture • Identify all possible models • Translate model uncertainty into choices about distributions • Vertically average probability densities (or cumulative probabilities) • Can use weights to account for credibility Example Cumulative probability 1 0.8 P(f+) = 2P(f) 0.6 What-if 0.4 Mixture 0.2 0 -15 -10 -5 0 X 5 10 15 Probabilistic mixture • State of the art in probabilistic risk analysis – Nuclear power plant risk assessments • Need to know what all the possibilities are • If don’t know the weights, assume equality Drawbacks of mixture • If you cannot enumerate the possible models, you can’t use this approach • Averages together incompatible theories and yields an answer that neither theory supports • Can underestimate tail risks Bayesian model averaging • Similar to the probabilistic mixture • Updates prior probabilities to get weights • Takes account of available data Bayesian model averaging • Assume one of the two models is correct • Compute probability distribution for f(A,B) • Read off probability density of observed data – That’s the likelihood of the model • Repeat above steps for each model • Compute posterior prior likelihood – This gives the Bayes’ factors • Use the posteriors as weights for the mixture Cumulative probability 1 Datum: f(A,B) = 7.59 0.8 0.6 Bayes What-if 0.4 Mixture 0.2 0 -15 -10 -5 0 X 5 10 15 Bounding probabilities • Translate model uncertainties to a choice among distributions • Envelope the cumulative distributions Cumulative probability 1 0.8 0.6 Bayes What-if 0.4 Mixture Envelope 0.2 0 -15 -10 -5 0 X 5 10 15 Strategy for enumerable models • What-if analysis isn’t feasible in big problems • Probabilistic mixture is, at best, ad hoc • For abundant data, Bayesian approach is best • Otherwise, it’s probably just wishful thinking • Bounding is reliable, but may be too wide Uncertainty about distribution shape Suppose correct model is known to be f(A,B) = A+B, but the distributions for the independent variables A and B are not precisely known. 1 1 0 -10 0 -10 0 10 0 10 20 Strategy for distribution shape • Very challenging for sensitivity analysis since infinite-dimensional problem • Bayesians usually fall back on a maximum entropy approach, which erases uncertainty rather than propagates it • Bounding seems most reasonable, but should reflect all available information Uncertainty about dependence • Neither sensitivity studies nor Monte Carlo simulation can comprehensively assess it • Bayesian model averaging can’t even begin • Only bounding strategies work What-if sensitivity analysis • Simple theory • Straightforward to implement • Doesn’t confuse variability and incertitude • Must enumerate all possible models • Combinatorial complexity • Hard to summarize Probabilistic mixture • Produces single distribution as answer • Can account for differential credibility • • • • Must enumerate all possible models Confounds variability and incertitude Averages together incompatible theories Underestimates tail risks Bayesian model averaging • Produces single distribution as answer • Can account for differential prior credibility • Takes account of available data • • • • • Must enumerate all possible models May be computationally challenging Confounds variability and incertitude Averages together incompatible theories Underestimates tail risks Bounding probability • • • • Straightforward theoretically Yields single mathematical object as answer Doesn’t confuse variability and incertitude Doesn’t underestimate tail risks • Cannot account for differential credibility • Cannot take account of available data • Optimality may be computationally expensive Strategy for model uncertianty • Bounding seems best when data are sparse • When the answer is clear, strong assurance for the conclusion • If the answer is too wide, need more information to tighten it – Unless it’s okay to mislead people about the reliability of your conclusions Updating Updating • Using knowledge of how variables are related to tighten their estimates • Removes internal inconsistency and explicates unrecognized knowledge • Also called constraint updating or editing • Also called natural extension Example • Suppose W = [23, 33] H = [112, 150] A = [2000, 3200] • Does knowing WH=A let us to say any more? Answer • Yes, we can infer that W = [23, 28.57] H = [112, 139.13] A = [2576, 3200] • The formulas are just W = intersect(W, A/H), etc. To get the largest possible W, for instance, let A be as large as possible and H as small as possible, and solve for W =A/H. Bayesian strategy Prior I (W [23,33]) I ( H [112,150]) I ( A [2000,3200]) Pr(W , H , A) 33 23 150 112 3200 2000 Likelihood L( A W H | W , H , A) ( A W H ) Posterior f (W , H , A | A W H ) ( A W H ) Pr(W , H , A) Bayes’ rule • Concentrates mass onto the manifold of feasible combinations of W, H, and A • Answers have the same supports as intervals • Computationally complex • Needs specification of priors • Yields distributions that are not justified (come from the choice of priors) • Expresses less uncertainty than is present Updating with p-boxes 1 1 1 0 20 30 A H W 40 0 120 140 160 0 2000 3000 4000 Answers 1 1 1 0 20 30 intersect(W, A/H) A H W 40 0 120 140 160 intersect(H, A/W) 0 2000 3000 4000 intersect(A, WH) Calculation with p-boxes • Agrees with interval analysis whenever inputs are intervals • Relaxes Bayesian strategy when precise priors are not warranted • Produces more reasonable answers when priors not well known • Much easier to compute than Bayes’ rule Backcalculation Backcalculation • Needed for cleanup and remediation planning • Untangles an equation in uncertain numbers when we know all but one of the variables • For instance, backcalculation finds B such that A+B = C, from estimates for A and C Hard with probability distributions • Inverting the equation doesn’t work • Available analytical algorithms are unstable for almost all problems • Except in a few special cases, Monte Carlo simulation cannot compute backcalculations; trial and error methods are required Can’t just invert the equation prescribed unknown known Dose = Concentration × Intake Concentration = Dose / Intake When concentration is put back into the forward equation, the resulting dose is wider than planned Backcalculation with p-boxes Suppose A + B = C, where A = normal(5, 1) C = {0 C, median 1.5, 90th %ile 35, max 50} 1 1 02 A 3 4 5 C 6 7 8 0 0 10 20 30 40 50 60 Getting the answer • The backcalculation algorithm basically reverses the forward convolution • Not hard at all…but a little messy to show • Any distribution 1 totally inside B is sure to satisfy the constraint … it’s a “kernel” B 0-10 0 10 20 30 40 50 Check it by plugging it back in A + B = C* C 1 C* 0 -10 0 10 20 C 30 40 50 60 Precise distributions don’t work • Precise distributions can’t express the target • A concentration distribution giving a prescribed distribution of doses seems to say we want some doses to be high • Any distribution to the left would be better • A p-box on the dose target expresses this idea Backcalculation algebra • Can define untanglings for all basic operations e.g., if A B = C, then B = exp(backcalc(ln A, ln C)) • Can chain them together for big problems • Assuming independence widens the result • Repeated terms need special strategies Conclusion • Planning cleanup requires backcalculation • Monte Carlo methods don’t generally work except in a trial-and-error approach • Can express the dose target as a p-box Sensitivity analysis Sensitivity analysis with p-boxes • Local sensitivity via derivatives • Explored macroscopically over the uncertainty in the input • Describes the ensemble of tangent slopes to the function over the range of uncertainty Monotone function range of input Nonlinear function range of input Sensitivity analysis of p-boxes • Quantifies the reduction in uncertainty of a result when an input is pinched • Pinching is hypothetically replacing it by a less uncertain characterization Cumulative probability 1 0 0 Cumulative probability Pinching to a point value 1 X2 3 1 0 0 1 X2 3 1 0 0 Cumulative probability Cumulative probability Pinching to a (precise) distribution 1 X2 3 1 0 0 1 X2 3 Pinching to a zero-variance interval Cumulative probability 1 0 0 1 X 2 3 Assumes value is constant, but unknown There’s no analog of this in Monte Carlo Using sensitivity analyses There is only one take-home message: “Shortlisting” variables for treatment is bad – Reduces dimensionality, but erases uncertainty Differential equations Uncertainty usually explodes The explosion can be traced to numerical instabilities x Time Uncertainty • Artifactual uncertainty – Too few polynomial terms – Numerical instability – Can be reduced by a better analysis • Authentic uncertainty – Genuine unpredictability due to input uncertainty – Cannot be reduced by a better analysis Only by more information, data or assumptions Uncertainty propagation • We want the prediction to ‘break down’ if that’s what should happen • But we don’t want artifactual uncertainty – – – – Numerical instabilities Wrapping effect Dependence problem Repeated parameters Problem • Nonlinear ordinary differential equation (ODE) dx/dt = f(x, ) with uncertain and uncertain initial state x0 • Information about and x0 comes as – Interval ranges – Probability distributions – Probability boxes Model Initial states (range) Parameters (range) VSPODE Mark Stadherr et al. (Notre Dame) Taylor models & interval Taylor series code, see also COSY and VNODE List of constants plus remainder Example ODE dx1/dt = 1 x1(1 – x2) dx2/dt = 2 x2(x1–1) What are the states at t = 10? x0 = (1.2, 1.1)T 1 [2.99, 3.01] 2 [0.99, 1.01] VSPODE – Constant step size h = 0.1, Order of Taylor model q = 5, – Order of interval Taylor series k = 17, QR factorization VSPODE tells how to compute x1 1.916037656181642 10 21 + 0.689979149231081 11 20 + -4.690741189299572 10 22 + -2.275734193378134 11 21 + -0.450416914564394 12 20 + -29.788252573360062 10 23 + -35.200757076497972 11 22 + -12.401600707197074 12 21 + -1.349694561113611 13 20 + 6.062509834147210 10 24 + -29.503128650484253 11 23 + -25.744336555602068 12 22 + -5.563350070358247 13 21 + -0.222000132892585 14 20 + 218.607042326120308 10 25 + 390.260443722081675 11 24 + 256.315067368131281 12 23 + 86.029720297509172 13 22 + 15.322357274648443 14 21 + 1.094676837431721 15 20 + [ 1.1477537620811058, 1.1477539164945061 ] where ’s are centered forms of the parameters; 1 = 1 3, 2 = 2 1 Input p-boxes 1 2 uniform normal precise Probability min, max, mean, var 1 0 2.99 3 3.01 0.99 1 1.01 x1 Results x2 uniform normal precise Probability min, max, mean, var 1 0 1.12 1.14 1.16 1.18 0.87 0.88 0.89 0.9 Still repeated uncertainties 1.916037656181642 10 21 + 0.689979149231081 11 20 + -4.690741189299572 10 22 + -2.275734193378134 11 21 + -0.450416914564394 12 20 + -29.788252573360062 10 23 + -35.200757076497972 11 22 + -12.401600707197074 12 21 + -1.349694561113611 13 20 + 6.062509834147210 10 24 + -29.503128650484253 11 23 + -25.744336555602068 12 22 + -5.563350070358247 13 21 + -0.222000132892585 14 20 + 218.607042326120308 10 25 + 390.260443722081675 11 24 + 256.315067368131281 12 23 + 86.029720297509172 13 22 + 15.322357274648443 14 21 + 1.094676837431721 15 20 + [ 1.1477537620811058, 1.1477539164945061 ] Subinterval reconstitution • Subinterval reconstitution (SIR) – Partition the inputs into subintervals – Apply the function to each subinterval – Form the union of the results • Still rigorous, but often tighter – The finer the partition, the tighter the union – Many strategies for partitioning • Apply to each cell in the Cartesian product Discretizations 1 0 2.99 3 3.01 Contraction from SIR 1 Probability 1 0 1.12 Best possible bounds reveal the authentic uncertainty 1.14 x1 1.16 0 0.87 0.88 0.89 x2 0.9 Monte Carlo is more limited • Monte Carlo cannot propagate incertitude • Monte Carlo cannot produce validated results – Though can be checked by repeating simulation • Validated results from distributions can be obtained by modeling inputs with (narrow) p-boxes and applying probability bounds analysis • Results converge to narrow p-boxes obtained from infinitely many Monte Carlo replications Conclusions • VSPODE is useful for bounding solutions of parametric nonlinear ODEs • Probability bounds analysis is useful when distributions are known imprecisely • Together, they rigorously propagate uncertainty through a nonlinear ODE Intervals Distributions P-boxes Initial states Parameters Conclusions Rigorousness • “Automatically verified calculations” • The computations are guaranteed to enclose the true results (so long as the inputs do) • You can still be wrong, but the method won’t be the reason if you are How to use the results When uncertainty makes no difference (because results are so clear), bounding gives confidence in the reliability of the decision When uncertainty obscures the decision (i) use results to identify inputs to study better, or (ii) use other criteria within probability bounds Can uncertainty swamp the answer? • Sure, if uncertainty is huge • This should happen (it’s not “unhelpful”) • If you think the bounds are too wide, then put in whatever information is missing • If there isn’t any such information, do you want to mislead your readers? Monte Carlo is problematic • Probability doesn’t accumulate gross uncertainty in an intuitive way • Precision of the answer (measured as cv) depends strongly on the number of inputs • The more inputs, the tighter the answer, irrespective of the distribution shape A few grossly uncertain inputs Probability Uniform Uniform Uniform Uniform A lot of grossly uncertain inputs... Probability Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Uniform Where does this surety come from? What justifies it? Smoke and mirrors certainty • P-boxes give a vacuous answer if all you provide are vacuous inputs • Conventional probability theory, at least as it’s naively applied, seems to manufacture certainty out of nothing • This is why some critics say probabilistic risk analyses are “smoke and mirrors” Uncertain numbers • P-boxes are very crude, but they can express the two main forms of uncertainty • Despite their limitations, p-boxes may be useful for modeling uncertain numbers • Simple arithmetic and logical expressions are easy to compute and understand What p-boxes can’t do • Give best-possible bounds on non-tail risks • Conveniently get best-possible bounds when dependencies are subtle or calculations are very complex • Show what’s most likely within the box References • • • • • • • Goodman, L. 1960. On the exact variance of products. Journal of the American Statistical Association 55: 708-713. Ferson, S., V. Kreinovich, L. Ginzburg, K. Sentz and D.S. Myers. 2003. Constructing probability boxes and Dempster-Shafer structures. Sandia National Laboratories, SAND2002-4015, Albuquerque, New Mexico. Ferson, S., V. Kreinovich, J. Hajagos, W. Oberkampf and L. Ginzburg. 2007. Experimental uncertainty estimation and statistics for data having interval uncertainty. Sandia National Laboratories, SAND2007-0939, Albuquerque, New Mexico. Frank M.J., R.B Nelsen, B. Schweizer (1987). Best-possible bounds for the distribution of a sum—a problem of Kolmogorov. Probability Theory and Related Fields 74:199–211. Ci for normals, etc. Kolmogorov [Kolmogoroff], A. 1941. Confidence limits for an unknown distribution function. Annals of Mathematical Statistics 12: 461–463. Walley, P. 1991. Statistical Reasoning with Imprecise Probabilities. Chapman and Hall, London. Web-accessible reading http://www.sandia.gov/epistemic/Reports/SAND2002-4015.pdf (introduction to p-boxes and related structures) http://www.ramas.com/depend.zip (handling dependencies in probabilistic uncertainty modeling) http://www.ramas.com/bayes.pdf (introduction to Bayesian and robust Bayesian methods in risk analysis) http://www.ramas.com/intstats.pdf (statistics for data that may contain interval uncertainty) http://maths.dur.ac.uk/~dma31jm/durham-intro.pdf (Gert de Cooman’s gentle introduction to imprecise probabilities) http://www.cs.cmu.edu/~qbayes/Tutorial/quasi-bayesian.html (Fabio Cozman’s introduction to imprecise probabilities) http://idsia.ch/~zaffalon/events/school2004/school.htm (notes from a week-long summer school on imprecise probabilities) Software • Dan Berleant (Iowa) – Statool (free) • Applied Biomathematics – PBDemo (free) – Risk Calc (commercial) – S3 and S4 packages for R (request beta version) • Didier Dubois et al. (France) Exercise Cumulative probability What distribution inside the p-box has the largest mean? Which has the largest variance? Smallest variance? 1 0 0 10 20 End 2MC simulations don’t fill p-boxes • 2-D Monte Carlo is not comprehensive – – – – Inadequate model of ignorance Dependence among parameters of a distribution Uncertainty about dependence (Fréchet) Non-denumerable model uncertainty • Probability bounds analysis is not optimal – Independence between parameters of a distribution – Ternary (and higher) Fréchet operations Maturing methodology • • • • • • • • • Arithmetic Logical computations (and, or, not) Backcalculation, updating, deconvolution Decision analysis Statistics of data with interval uncertainty Sensitivity analysis Validation Non-linear ordinary differential equations Black-box strategies (Cauchy, quadratic, etc.) Slide shows and/or papers on these topics are available on request Moment propagation How? – Taylor expansion, or decomposition into binary operations Operation Mean Variance X+Y XY XY EX+EY EX EY EX(1/EY+VY/(EY)³) VX + VY VX(EY)² + VY (EX)² + VX VY (VX + (EX)² VY /(EY)²)/EY² – formulas slightly messier without independence assumption – Chebyshev inequality gives limits on tail probabilities Why? – fully probabilistic with minimal data requirements Why not? – repeated variables can complication propagation – may not use all of available information Interval probability How? – bound estimates, a = [a1, a2], where a1 a2 – addition: [a1, a2] + [b1, b2] = [a1+b1, a2+b2] – subtraction: [a1, a2] – [b1, b2] = [a1–b2, a2–b1] – conjunctions, disjunctions, negations also easy to compute – dependency relations among events can also be represented Why? – natural for scientists and easy to explain to others – works no matter where uncertainty comes from Why not? – paradoxical: can’t give exact value but can give exact bounds – ranges could grow quickly, yielding very wide results Dempster-Shafer theory How? – express measurement error or censoring as intervals – develop uncertain numbers as collections of such intervals – do arithmetic (under independence) with a Cartesian product Why? – measurement error, censoring, etc. is ubiquitous – propagates non-negligible incertitude through calculations – simple to implement Why not? – doesn’t use information about inter-variable dependencies – uncertainty only in x-values, and not in probability values – Dempster’s rule is weird and controversial Probability bounds analysis How? – specify what you are sure about – establish bounds on probability distributions – pick dependencies (no assumption, indep., perfect, etc.) Why? – account for uncertainty better than maximum entropy – puts bounds on Monte Carlo results – bounds get narrower with better empirical information Why not? – does not yield second-order probabilities – best-possible results can sometimes be expensive to compute Imprecise probabilities How? _ – avoid sure loss, P(A) P(A) – be coherent, P(A) + P(B) P(A B) – use natural extension (mathematical programming) to find consequences Why? – most expressive language for uncertainty of all kinds – can provide expectations and conditional probabilities – provides best possible results that do not lose information Why not? – requires mathematical programming – can strain mathematical ability of the analyst History of the speed of light Speed of light (m/sec) 300,000,000 299,900,000 299,820,000 299,792,458 1880 299,770,000 299,700,000 1900 1920 1940 1960 1980 History of overconfidence • About 70% should enclose true value (fewer than half do) • Overconfidence is “almost universal in all measurements of physical quantities” (Morgan and Henrion 1990) • Humans (expert and otherwise) routinely grossly overconfident 90% confidence intervals typically enclose their true values only about 30 to 50% of the time • Schlyakhter suggested we automatically widen all bounds Everyone makes assumptions • But not all sets of assumptions are equal! Point value Interval range Entire real line Linear function Monotonic function Any function Normal distribution Unimodal distribution Any distribution Independence Known correlation Any dependence • Like to discharge unwarranted assumptions “Certainties lead to doubt; doubts lead to certainty” Two paths • .What assumptions are needed to get an answer? It’s always possible to find some • What’s the quantitative answer that doesn’t .depend on any unjustified assumptions? Recognizing when you’ve made an unjustified assumption may take some discipline Sometimes, “I don’t know” is the right answer Example: endangered species • • • • • • Northern spotted owl Strix occidentalis caurina Olympic Peninsula, Washington State Leslie matrix model (with composite age) Environmental and demographic stochasticity Density dependence (territorial, Allee effects) Catastrophic windstorms IUCN threat criteria Extinct (not sighted in the wild for 50 years) Critical (50% risk of extinction in 18 years) Endangered (20% risk of extinction in 89 years) Vulnerable (10% risk of extinction in 100 years) Nonthreatened (better than any of the above) Leslie matrix model juveniles t + 1 subadults t + 1 adults t + 1 = 0 Sjuveniles 0 Fsubadults 0 Ssubadults Fadults 0 Sadults juveniles t subadults t adults t What kind of information might be available about these variables? Risk of quasi-extinction Cumulative probability 1 0.8 0.6 critical 0.4 endangered 0.2 vulnerable 0 0 20 40 60 Time (years) 80 100 Regression of x on probability scores 10 8 Skinny 6 x 4 2 0 -1.5 -1 -0.5 0 z 0.5 1 10 8 Puffy 6 4 2 0 1.5 -1.5 -1 -0.5 0 z 0.5 1 1.5 Different kinds of interval regression could be used Least squares (bounds given all possible points within intervals) Interval principal components (model II regression) “All-constraints” regression All-constraints interval regression 10 8 6 4 2 0 - 1.5 -1 - 0.5 0 0.5 1 1.5 Dependence between p-boxes • o o o • • • • • • • • • Random-set independent Epistemically independent Strongly independent Repetition independent Perfectly associated Oppositely associated Known copula Specified copula family and correlation Known functional relationship Positively quadrant dependent (PQD) Negatively quadrant dependent (NQD) Known or interval-bounded correlation Fréchet case For precise probabilities, these are all the same. These cases yield precise distributions from precise input distributions Dependence tree Fréchet r0 NQD opposite, W 0r r=0 independence, PQD perfect, M How else to do shape uncertainty? • Very challenging for sensitivity analysis since it’s an infinite-dimensional problem • Bayesians usually fall back on a maximum entropy approach, which erases uncertainty rather than propagates it • Bounding seems most reasonable, but should reflect all available information Moment-range propagation Simultaneous moment propagation • Just means and variances, and ranges • Makes use of general formulas, and also special formulas for named distribution shapes • Finite ranges imply moments always exist and often improve bounds formulas substantially • Intersects bounds from formulas and inferred from distribution bounds What do bounds say about moments? 1 Exceedance risk These bounds imply the mean can’t be any smaller than 30 or larger than 75. Likewise, the variance has to be within [600, 6000]. 0 0 100 200 300 400 What do moments say about bounds? 1 Exceedance risk If we know the mean is 10 and the variance is 2, these are best possible bounds on the chance the variable is bigger than any value (Chebyshev inequality). 0 -10 0 10 20 30 Range-moment propagation Consider multiplication, for instance L(X Y) = min(LX LY, LX GY, GX LY, GX GY) G(X Y) = max(LX LY, LX GY, GX LY, GX GY) E(X Y) = EX EY ± (VX VY ) V(X Y) = Goodman’s (1960) formula where L = min, G = max, E = mean, V = variance Repetitions are okay Assuming independence, because all quantities are positive E(X Y) = EX EY V(X Y) = (EX)2VY + (EY)2VX + VX VY Probability (x < X) Range and moments together 1 0 LX EX VX GX {min = 0, max = 100, mean = 50, stdev = s} s = 1 s = 5 s = 10 s = 15 s = 20 s = 25 s = 30 s = 35 s = 40 s = 45 s = 49 s = 50 {min = 0, max = 100, mean = 10, stdev = s} s = 1 s = 2 s = 3 s = 4 s = 5 s = 6 s = 8 s = 10 s = 15 s = 20 s = 25 s = 29 Output Inputs Boundaries interval statistics moment-range constraints Moments Williamson-Frank-Nelsen-Sklar Mathematical operation Rowe, inter alia Boundaries interval statistics moment-range constraints Moments This auxiliary effort often substantially improves (tightens) the output p-boxes Travel time (Lobascio) n BD foc Koc L T K i Parameter L source-receptor distance i hydraulic gradient K hydraulic conductivity n effective soil porosity BD soil bulk density foc fraction organic carbon Koc organic partition coefficient Units m m/m m/yr kg/m3 m3/kg Min 80 0.0003 300 0.2 1500 0.0001 5 Max 120 0.0008 3000 0.35 1750 0.005 20 Mean 100 0.00055 1000 0.25 1650 0.00255 10 Stdv 11.55 0.0001443 750 0.05 100 0.001415 3 Shape uniform uniform lognorm lognorm lognorm uniform normal Inputs as mmms p-boxes 1 1 L 0 70 1 1 i 90 110 130 m K 0 0.0003 0.0006 0.0009 1 0 1 1600 kg m-3 2000 m yr-1 4000 foc 1800 0 0 0.2 0.3 1 BD 0 1400 0 n 0 0.002 0.004 Koc 0 0 10 20 m3 kg-1 30 0.4 Output p-box Cumulative probability 1 0 0 50000 Travel time (years) 100000 Detail of left tail Cumulative probability 1 0 0 100 200 300 Travel time (years) 400 500 Is independence reasonable? • • • • Soil porosity and soil bulk density Hydraulic conductivity and soil porosity Hydraulic gradient and hydraulic conductivity Organic carbon and partition coefficient Remember: independence is a much stronger assumption than uncorrelatedness Assumptions no longer needed • A decade ago, you had to assume all variables were mutually independent • Software tools now allow us to relax any pesky independence assumption • No longer necessary to make independence assumptions for mathematical convenience • But do the assumptions make any difference? Without dependence assumptions Cumulative probability 1 0 0 50000 Travel time (years) 100000 Left tails Cumulative probability 1 0 0 100 200 300 Travel time (years) 400 500 Dependence bounds • Guaranteed to enclose results no matter what correlation or dependence there may be between the variables • Best possible (couldn’t be any tighter without saying more about the dependence) • Can be combined with independence assumptions between other variables Conclusions • The model is a cartoon, but it illustrates the use of methods to relax independence and precise distribution assumptions • Relaxing these assumptions can have a big impact on quantitative conclusions from an assessment Take-home message • Whatever assumption about dependencies and the shape of distributions is between you and your spreadsheet • There are methods now available that don’t force you to make assumptions you’re not comfortable with