Geophysical Inversion: Ill-posedness, Norms and Regularisation, Global Search, Statistics, Bayesian and Sparse Methods, and the Adjoint-State Method
2. L1, L2 and Lp norms; over-, under- and mixed-determined problems
The Lp norm of a residual vector e is ‖e‖ₚ = (Σ|eᵢ|ᵖ)^(1/p). L1 sums the absolute values, L2 is the Euclidean length, and L∞ is the largest |eᵢ|. For e = (1, −2, 2, 0): L1 = 5, L2 = √9 = 3, L∞ = 2, and always L∞ ≤ L2 ≤ L1. L2 gives the closed-form least-squares solution and is the maximum-likelihood choice for Gaussian errors, but squaring lets outliers dominate. L1 is robust (the estimate of a constant is the median, not the mean: for 1, 2, 3, 100 the mean is 26.5, while any value from 2 to 3 minimises the L1 misfit) and suits long-tailed errors, but needs iterative solution. L∞ is the minimax fit.
Classification uses N data, M unknowns and the rank p of G. Over-determined (N > M, p = M): no exact fit; minimise ‖d − G·m‖₂ to get the normal equations GᵀG·m = Gᵀd. Worked example: a line m₁ + m₂x through (0, 1), (1, 2), (2, 2) has G = [[1, 0], [1, 1], [1, 2]], GᵀG = [[3, 3], [3, 5]], Gᵀd = (5, 6), so m = (7/6, 1/2): intercept 1.17, slope 0.5. Under-determined (M > N, p = N): infinitely many exact fits, so a criterion is added, such as the minimum-norm solution m = Gᵀ(GGᵀ)⁻¹d. Mixed-determined (p < N and p < M): some parameter combinations are unconstrained and some data combinations cannot be fitted, and the solution needs damping or SVD.
3. Singular value decomposition, Tikhonov regularisation and the Backus–Gilbert method
The SVD writes G = U·Σ·Vᵀ, with singular values σ₁ ≥ σ₂ ≥ … ≥ σₚ > 0, data-space vectors uᵢ and model-space vectors vᵢ. The generalised inverse gives m = Σ (uᵢᵀd/σᵢ)·vᵢ. Model directions with σ = 0 form the null space: the data are blind to them, which is non-uniqueness. Directions with small σᵢ amplify noise by 1/σᵢ. Truncated SVD keeps only the largest singular values. The model resolution matrix R = Vₚ·Vₚᵀ shows how blurred the estimate is (R = I means perfect resolution), and κ = σ₁/σₚ.
Tikhonov regularisation minimises ‖G·m − d‖² + λ²‖m‖², giving the damped solution m = (GᵀG + λ²I)⁻¹Gᵀd. In SVD form each component is multiplied by the filter factor f = σ²/(σ² + λ²), close to 1 where σ ≫ λ and close to 0 where σ ≪ λ, so poorly determined directions fade out smoothly. Replacing ‖m‖² by ‖L·m‖² (L a difference operator) penalises roughness. The parameter λ trades variance (noise amplification) against bias (loss of resolution) and is chosen by the L-curve, the discrepancy principle (misfit ≈ noise level) or cross-validation. Worked example: G = 0.1, d = 0.5 gives m = 5 by least squares, but m = σd/(σ² + λ²) = 2.5 with λ = 0.1; a data change of 0.01 moves the first by 0.1 and the damped one by only 0.05.
The Backus–Gilbert method, developed for Earth-structure problems, does not solve for every parameter. For a chosen point it builds the combination of data whose averaging (resolution) kernel A(x₀, x) is as narrow and delta-like as possible, so the estimate is a localised average of the true model. A trade-off parameter balances the kernel’s narrowness against the variance of the estimate.
4. Quasi-linear and non-linear methods: simulated annealing, genetic algorithms and swarms
When d = g(m) is non-linear, the quasi-linear approach linearises about the current model mₖ with the Jacobian J = ∂g/∂m and updates mₖ₊₁ = mₖ + (JᵀJ + λ²I)⁻¹Jᵀ[d_obs − g(mₖ)], the damped Gauss–Newton or Levenberg–Marquardt step. It is fast, but it converges only to a minimum near the starting model, and a misfit surface with many local minima traps it.
Global search methods need no derivatives, only many forward calculations. Simulated annealing copies the slow cooling of a metal: a trial model m′ is proposed, ΔE = E(m′) − E(m) is computed, and the move is accepted if ΔE ≤ 0, or otherwise with the Metropolis probability P = exp(−ΔE/T). A high temperature T explores freely, a low one descends. The worked example ΔE = 1 gives P = e^(−0.5) = 0.61 at T = 2 but e^(−5) = 0.007 at T = 0.2. Cooling too fast freezes the search in a local minimum.
- A genetic algorithm evolves a population of coded models: fitness (low misfit) decides which parents are selected, crossover swaps parts of their codes, mutation randomly changes a few entries to keep diversity, and the best may be copied unchanged (elitism). Fitness evaluations are independent, so they run in parallel.
- Swarm intelligence (particle swarm optimisation) sends particles, each a model with a velocity, through the model space: v ← w·v + c₁r₁(p_best − x) + c₂r₂(g_best − x), x ← x + v, combining inertia, the particle’s own best position and the best found by the swarm (r₁, r₂ are random numbers between 0 and 1).
5. Random variables, distributions, misfit and likelihood
A random variable X has a probability density f(x), mean μ and variance σ². The Gaussian N(μ, σ²) has f = [1/(σ√(2π))]·exp[−(x − μ)²/(2σ²)], with 68.3%, 95.4% and 99.7% of values within 1σ, 2σ and 3σ. The central limit theorem (sums of many small independent errors tend to a Gaussian) justifies Gaussian noise. The Poisson law P(k) = λᵏe^(−λ)/k! governs counts in a fixed interval, such as radioactive decays or gamma-ray counts; its mean and variance both equal λ, so the relative scatter is 1/√λ. A variable is log-normal if ln X is Gaussian: positive, right-skewed, with median e^μ and mean e^(μ + σ²/2) above it, as for permeability, grain size or ore grade, which are products of many factors.
A random process is a family of random variables indexed by time or position. It is stationary if its statistics do not change under a shift, and ergodic if averages along one long record equal ensemble averages. The autocovariance and power spectrum are a Fourier pair (Wiener–Khinchin); white noise is uncorrelated.
For residuals rᵢ = dᵢ − gᵢ(m) with independent Gaussian errors σᵢ, the likelihood is L(m) ∝ exp(−χ²/2), where the chi-square misfit is χ² = Σ(rᵢ/σᵢ)². Maximum likelihood is therefore weighted least squares (Laplace errors would give L1). For a good model with correct error estimates, χ² ≈ ν = N − M, so the reduced χ²/ν ≈ 1; a value far above 1 means a poor model or underestimated errors, and far below 1 means overestimated errors or fitting of the noise. Worked example: N = 10, M = 2, σ = 0.5 and a residual sum of squares 3.0 give χ² = 3.0/0.25 = 12, ν = 8 and χ²/ν = 1.5. For independent noise σ, the covariance of the least-squares estimate is σ²(GᵀG)⁻¹.
6. Spatial analysis and hypothesis testing
Geophysical values at nearby places are correlated. The semivariogram γ(h) = ½E[(Z(x + h) − Z(x))²] rises with separation h from the nugget (the jump at h → 0 from measurement error and fine-scale variability) to the sill (about the variance) at the range, beyond which values are uncorrelated; for a stationary field the covariance is C(h) = sill − γ(h). Kriging is the best linear unbiased estimator built from the variogram: its weights sum to 1 in ordinary kriging, it accounts for clustering of stations, and it returns an estimation variance as well as the estimate.
In hypothesis testing a null hypothesis H₀ is tested against H₁ using a test statistic. The p-value is the probability, if H₀ were true, of a result at least as extreme as that observed, and H₀ is rejected if p < α, the significance level. A type I error (rejecting a true H₀, a false alarm) has probability α, a type II error (missing a real effect) has probability β, and the power is 1 − β. For a mean with known σ, z = (x̄ − μ₀)/(σ/√n). Worked example: x̄ = 12.6, μ₀ = 12, σ = 3, n = 25 give z = 0.6/0.6 = 1, below the two-sided 5% limit 1.96, so H₀ is not rejected. The χ² test judges whether a misfit fits the noise, the F-test whether a more complex model is significantly better.
7. Bayesian posteriors, sparsity-promoting L1 optimisation, ambiguity and uncertainty
Bayes’ theorem gives the posterior p(m|d) = p(d|m)·p(m)/p(d): likelihood times prior, normalised by the evidence. The answer to the inverse problem is the whole posterior; it is summarised by the most probable model (MAP), the mean and credible intervals, and sampled by Markov-chain Monte Carlo when it is not Gaussian. For one parameter with prior N(m₀, σₘ²) and a datum d = m + noise of standard deviation σ_d, the precisions (1/variance) add: 1/σ_post² = 1/σₘ² + 1/σ_d², and the mean is the precision-weighted average of m₀ and d. Worked example: m₀ = 5, σₘ = 2, d = 9, σ_d = 1 give precision 0.25 + 1 = 1.25, σ_post² = 0.8 and mean (5 × 0.25 + 9 × 1)/1.25 = 8.2, pulled towards the more certain datum.
This links regularisation to prior information. With a Gaussian likelihood, a zero-mean Gaussian prior makes the MAP estimate the Tikhonov solution with λ² = σ_d²/σₘ², and a Laplace (double-exponential) prior gives L1 regularisation. Sparsity-promoting L1 optimisation minimises ½‖G·m − d‖² + λ‖m‖₁. The L1 ball has corners on the coordinate axes, so the optimum tends to sit exactly on an axis, giving true zeros, while L2 shrinks every component but rarely zeroes one. With G = I the solution is the soft threshold mᵢ = sign(dᵢ)·max(|dᵢ| − λ, 0). Uses: sparse-spike deconvolution, compressive interpolation of seismic data, total-variation imaging of blocky models; the model must really be sparse in some basis.
Ambiguity is non-uniqueness that survives perfect, noise-free data: the depth–density trade-off in gravity, or equivalence in resistivity soundings, where a thin conductive layer is fixed only by its conductance S = h/ρ and a thin resistive layer only by its transverse resistance T = h·ρ, so h and ρ cannot be separated. Uncertainty is the spread of acceptable models caused by noise and limited sampling, and it shrinks as the data improve. Both are appraised through the resolution matrix, the covariance matrix or posterior samples; ambiguity is reduced by independent constraints (boreholes, geology) and joint inversion. A good fit is necessary for a model to be right, never sufficient.
8. PDE-constrained optimisation and the adjoint-state method
Many forward problems are solutions of a partial differential equation A(m)·u = s: the wave, diffusion, Laplace or Maxwell equation, with field u (the state), parameters m (velocity, conductivity), and source s. The data are samples of the field at receivers, d = P·u. The misfit J(m) = ½‖P·u − d‖² (plus regularisation) is to be minimised subject to the PDE as a constraint: PDE-constrained optimisation. A gradient method needs ∂J/∂m for perhaps 10⁶ parameters. Finite differences would need M + 1 forward solves per gradient, which is impossible.
The adjoint-state method avoids this. Form the Lagrangian ℒ = ½‖P·u − d‖² + ψᵀ(A(m)·u − s). Setting its derivative with respect to u to zero gives the adjoint equation Aᵀψ = −Pᵀ(P·u − d): the same kind of PDE with the transposed operator, driven by the data residual injected at the receivers. Then the gradient for all parameters at once is ∂J/∂m = ψᵀ(∂A/∂m)·u. The cost is one forward and one adjoint solve per source, independent of M, so S sources need 2S solves.
In seismic full-waveform inversion the adjoint field is the residual injected at the receivers and propagated backwards in time, and the gradient is the zero-lag correlation, summed over time, of the forward and adjoint wavefields. The forward field must be stored or recomputed (checkpointing) because the two run in opposite time directions. If the starting model predicts arrivals more than half a period off, the misfit has local minima (cycle skipping), so inversion starts from low frequencies and moves up.
Key takeaways
- Inverse problems violate Hadamard’s existence, uniqueness or stability; κ = σ_max/σ_min bounds noise amplification, and non-uniqueness (null space, gravity depth–density trade-off) is physical, so added information is unavoidable.
- L2 is least squares (Gaussian errors, outlier-sensitive), L1 is robust (median-like), and L∞ ≤ L2 ≤ L1. Classify by rank: over-determined (least squares), under-determined (minimum norm), mixed-determined (damping or SVD).
- SVD gives m = Σ(uᵢᵀd/σᵢ)vᵢ; Tikhonov m = (GᵀG + λ²I)⁻¹Gᵀd multiplies each term by σ²/(σ² + λ²), trading variance against resolution; Backus–Gilbert builds a localised average with the narrowest averaging kernel.
- Non-linear problems use damped Gauss–Newton (local) or global search: simulated annealing accepts uphill moves with exp(−ΔE/T), genetic algorithms use selection, crossover and mutation, swarms combine inertia, personal best and global best.
- Gaussian errors give likelihood exp(−χ²/2) and reduced χ² ≈ 1 for a good fit; Poisson counts have mean = variance; log-normal variables have mean above median. Kriging uses the variogram; tests control type I error α against power.
- Posterior ∝ likelihood × prior (Gaussian case: precisions add); a Gaussian prior is L2 regularisation, a Laplace prior is sparse L1. The adjoint-state method gives the full gradient from one forward and one adjoint solve per source; ambiguity survives perfect data, uncertainty does not.
Practice questions (18)
Attempt each one before opening the answer. Every explanation names the tempting wrong option as well as the right one, because that is where marks are lost.
Two different density distributions inside the Earth produce exactly the same gravity field at every point on the surface. Which of Hadamard’s conditions for a well-posed problem does this violate?
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Answer: B — Uniqueness of the solution
If two models give identical data, the data cannot choose between them, so the inverse solution is not unique. Existence is not at issue, since both models explain the data, and stability concerns how the solution changes when the data are perturbed. Linearity is not one of Hadamard’s conditions, and even a linear problem can be non-unique.A linear system G·m = d has condition number κ = 10⁶, and the data d are accurate to a relative error of 10⁻⁴. What is the largest relative error that the solution m can have?
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Answer: C — As much as about 10², so the solution can be worthless
The bound is (relative error in m) ≤ κ × (relative error in d) = 10⁶ × 10⁻⁴ = 10², which is a hundred times the size of the solution itself, so no digit of m can be trusted in the worst case. The condition number multiplies the error, it does not divide it, and averaging does not help when the noise falls on directions that have small singular values.A linear problem has 6 data and 6 unknowns, but the matrix G has rank 4. How is it classified?
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Answer: A — Mixed-determined: two parameter combinations are unconstrained and two data combinations cannot be fitted
With rank p = 4 < N = 6 some combinations of the data lie outside the range of G and cannot be fitted, and with p = 4 < M = 6 a two-dimensional null space leaves two parameter combinations unconstrained: the problem is mixed-determined. Equal counts do not make it even-determined, which needs p = N = M. The over- and under-determined labels each describe only one of the two defects, and the under-determined one also wrongly promises exact fits.In Tikhonov (damped least-squares) inversion, what is the effect of increasing the damping parameter λ?
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Answer: D — The variance of the solution falls, but the bias grows and the resolution worsens, so the misfit increases
Larger λ shrinks the filter factors σ²/(σ² + λ²), suppressing noisy directions with small σ, so the variance falls; but components of the true model are also shrunk, which adds bias, blurs the resolution and raises the data misfit. Zero misfit and best resolution belong to λ → 0, not to heavy damping. Damping acts on all components (most strongly on small σ), not only the null space, and G itself is unchanged: only the matrix GᵀG + λ²I is better conditioned.In simulated annealing with the Metropolis rule, a trial model that raises the misfit by ΔE is accepted with probability exp(−ΔE/T). Why is the temperature T lowered slowly during the search?
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Answer: B — Because early uphill moves let the search escape local minima, and cooling too fast would freeze it in one
At high T uphill moves are accepted often, so the search roams widely and can leave local minima; as T falls, exp(−ΔE/T) shrinks and the method turns into a descent that settles into a minimum, so cooling too fast traps it in whichever basin it is in. The method uses only misfit values, no derivatives. Lower T makes uphill moves less likely, not more.Which pairing of a geophysical quantity with the probability distribution normally used to model it is most appropriate?
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Answer: C — Gamma photons counted in a fixed time window at constant logging speed: a Poisson distribution
Counts of independent events in a fixed interval follow the Poisson law, with mean equal to variance. Permeability and ore grade, being positive, right-skewed and products of many factors, are modelled as log-normal, not Gaussian or Poisson, and symmetric picking errors are naturally Gaussian. A Poisson variable takes only non-negative integer values, so it cannot describe continuous grades or timing errors.With a Gaussian likelihood, which choice of prior makes the maximum a posteriori (MAP) estimate equal to the Tikhonov (L2) solution, and which prior leads to sparsity-promoting L1 regularisation?
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Answer: D — A zero-mean Gaussian prior gives the L2 solution, with λ² = σ_d²/σₘ², and a Laplace prior gives the L1 solution
The negative log of the posterior is the data misfit plus the negative log of the prior. A Gaussian prior contributes ‖m‖²/(2σₘ²), which is an L2 penalty (λ² = σ_d²/σₘ² after scaling by 2σ_d²), while a Laplace prior contributes a term proportional to ‖m‖₁, the L1 penalty, whose peaked density at zero favours exact zeros. The option that gives L2 to the Laplace prior has the two assignments swapped, and a uniform prior adds no penalty, so it gives plain least squares.A misfit J(m) = ½‖P·u − d‖² depends on a field u that solves a wave equation A(m)·u = s, and the model m has one million parameters. For a single source, how does the adjoint-state method obtain the gradient ∂J/∂m with respect to all the parameters?
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Answer: A — From one forward solve and one adjoint solve, driven by the data residual at the receivers, whatever the number of parameters
The adjoint equation Aᵀψ = −Pᵀ(P·u − d) is a single PDE solve with the data residual as its source, and the gradient ∂J/∂m = ψᵀ(∂A/∂m)·u then follows for every parameter at once. Perturbing parameters one at a time is the finite-difference approach that needs about M + 1 forward solves, and an adjoint per parameter is not required. The adjoint field is a different field from u, driven by the residual and run backwards in time, so it cannot be dropped.Which of the following statements about non-linear inversion methods are correct?
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Answer: A — A genetic algorithm evolves a population of models by selection, crossover and mutation and needs no derivatives of the forward operator; B — In particle swarm optimisation each particle’s velocity combines its inertia, attraction to its own best position and attraction to the swarm’s best position; D — In simulated annealing an uphill move is accepted with probability exp(−ΔE/T), which falls as the temperature T is lowered
Genetic algorithms, particle swarms and simulated annealing are derivative-free global searches built exactly as these statements describe. Gauss–Newton and Levenberg–Marquardt follow local gradient information and so converge to a minimum near the starting model, which may be a local one; no guarantee of the global minimum exists.Which of the following statements about distributions and misfit statistics are correct?
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Answer: A — For a Poisson variable with mean λ the variance is also λ, so the relative scatter of a count falls as 1/√λ; B — If ln X is Gaussian then X is log-normal, and its mean lies above its median
The Poisson variance equals the mean, so a count of N events has scatter √N and relative scatter 1/√N, and a log-normal distribution has mean e^(μ + σ²/2) above its median e^μ. Gaussian errors give the L2 (least-squares) criterion, with L1 belonging to Laplace errors, and a reduced chi-square far above 1 means the fit is poor or the errors were underestimated, not that the fit is too good.Which of the following statements about Bayesian inversion, sparsity and ambiguity are correct?
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Answer: A — Ambiguity can persist even for perfect noise-free data, whereas uncertainty from noise shrinks as the data errors shrink; B — An L1 penalty λ‖m‖₁ promotes sparse models because the L1 ball has corners on the coordinate axes
Ambiguity is non-uniqueness of the physics (for example the depth–density trade-off), which better data cannot remove, while noise-driven uncertainty does shrink with better data. The corners of the L1 ball make exact zeros likely at the optimum. The prior shapes the posterior, and a Bayesian posterior is proportional to likelihood × prior, so it is not the likelihood alone. A good fit is necessary but never sufficient, since many other models fit equally well.Solve G·m = d in the least-squares sense for G = [[1, 0], [0, 1], [1, 1]] (rows separated by commas) and d = (2, 1, 6). The minimum value of the sum of squared residuals ‖d − G·m‖² is ____.
Numerical answer — type the value.
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Answer: 3
GᵀG = [[2, 1], [1, 2]] and Gᵀd = (2 + 6, 1 + 6) = (8, 7). Solving 2m₁ + m₂ = 8 and m₁ + 2m₂ = 7 gives m = (3, 2). Then G·m = (3, 2, 5), the residual is d − G·m = (−1, −1, 1), and ‖d − G·m‖² = 1 + 1 + 1 = 3. Check: any other m, such as (3, 3) with residual (−1, −2, 0), gives a larger sum 5.A matrix G has singular values 5, 2 and 0.02. Its condition number κ = σ_max/σ_min is ____.
Numerical answer — type the value.
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Answer: 250
The condition number is the ratio of the largest to the smallest singular value: κ = 5/0.02 = 250. The middle singular value 2 does not enter. The tempting error 5/2 = 2.5 divides by the wrong value.For G = diag(2, 0.2) and d = (4, 0.4), the damped (Tikhonov) solution is m = (GᵀG + λ²I)⁻¹Gᵀd with λ = 0.2. The second component m₂ is ____ (a whole number).
Numerical answer — type the value.
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Answer: 1
G is diagonal, so each component separates: mᵢ = σᵢdᵢ/(σᵢ² + λ²). For the second component m₂ = 0.2 × 0.4/(0.2² + 0.2²) = 0.08/0.08 = 1. The undamped least-squares value is 0.4/0.2 = 2, so damping halves m₂. The first component is 2 × 4/(4 + 0.04) = 1.98, almost unchanged because σ₁ is much larger than λ.A residual vector is e = (−2, 3, 6). Its L2 norm ‖e‖₂ = (Σ eᵢ²)^(1/2) is ____.
Numerical answer — type the value.
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Answer: 7
Squaring gives 4 + 9 + 36 = 49, and the square root is 7. For comparison the L1 norm is 2 + 3 + 6 = 11 and the L∞ norm is 6, consistent with L∞ ≤ L2 ≤ L1. Forgetting to square the negative entry, or summing the absolute values, are the usual slips.A model with 2 fitted parameters is compared with 4 data whose independent Gaussian errors all have σ = 0.2. The residuals are 0.4, −0.6, 0.2 and 1.0. The reduced chi-square χ²/ν, with ν = N − M, is ____ to one decimal place.
Numerical answer — type the value.
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Answer: 19.5
χ² = Σ(rᵢ/σ)² = (0.4/0.2)² + (0.6/0.2)² + (0.2/0.2)² + (1.0/0.2)² = 4 + 9 + 1 + 25 = 39. The degrees of freedom are ν = 4 − 2 = 2, so χ²/ν = 39/2 = 19.5. A value this far above 1 says the model is a poor fit or the errors were badly underestimated; dividing by N = 4 instead of ν would give 9.75.A parameter m has a Gaussian prior with mean 10 and standard deviation 4. One measurement d = 14 of m is made, with Gaussian noise of standard deviation 2. The mean of the Gaussian posterior for m is ____ to one decimal place.
Numerical answer — type the value.
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Answer: 13.2
The precisions are 1/4² = 0.0625 for the prior and 1/2² = 0.25 for the datum, which add to 0.3125 (posterior variance 3.2, standard deviation 1.79). The posterior mean is the precision-weighted average (10 × 0.0625 + 14 × 0.25)/0.3125 = (0.625 + 3.5)/0.3125 = 13.2, pulled towards the more precise datum. The simple average 12 ignores the different uncertainties.A sample of n = 36 independent measurements has mean 2.8, and the population standard deviation is known to be σ = 0.6. For the null hypothesis μ₀ = 2.5, the test statistic z = (x̄ − μ₀)/(σ/√n) equals ____.
Numerical answer — type the value.
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Answer: 3
The standard error is σ/√n = 0.6/6 = 0.1, and the difference of means is 2.8 − 2.5 = 0.3, so z = 0.3/0.1 = 3. This lies beyond the two-sided 5% limit 1.96 (and the 1% limit 2.58), so H₀ would be rejected. Using σ instead of σ/√n as the denominator would give 0.5 and wrongly suggest no effect.