Words that contain UIO, and best-fitting lines

In Calculus I we spend a fair amount of time talking about how nicely the tangent line fits a smooth curve.

Tangent line to exponential function at x=0
Tangent line to exponential function at x=0

But truth be told, it fits only near the point of tangency. How can we find the best approximating line for a function {f} on a given interval?

Best linear fit to the exponential function on [0,1]
Best linear fit to the exponential function on [0,1]

A natural measure of quality of approximation is the maximum deviation of the curve from the line, {E(f;\alpha,\beta) = \max_{[a, b]} |f(x) - \alpha x-\beta|} where {\alpha,\beta} are the coefficients in the line equation, to be determined. We need {\alpha,\beta} that minimize {E(f;\alpha,\beta)}.

The Chebyshev equioscillation theorem is quite useful here. For one thing, its name contains the letter combination uio, which Scrabble players may appreciate. (Can you think of other words with this combination?) Also, its statement does not involve concepts outside of Calculus I. Specialized to the case of linear fit, it says that {\alpha,\beta} are optimal if and only if there exist three numbers { x_1<x_2<x_3} in {[a, b]} such that the deviations {\delta_i = f(x_i) - \alpha x_i-\beta}

  • are equal to {E(f;\alpha,\beta)} in absolute value: {|\delta_i| = E(f;\alpha,\beta)} for {i=1,2,3}
  • have alternating signs: {\delta_1 = -\delta_2 = \delta_3}

Let’s consider what this means. First, {f'(x_i) =\alpha} unless {x_i} is an endpoint of {[a,b]}. Since {x_2} cannot be an endpoint, we have {f'(x_2)=\alpha}.

Furthermore, {f(x) - \alpha x } takes the same value at {x_1} and {x_3}. This gives an equation for {x_2}

\displaystyle    f(x_1)-f'(x_2)x_1 = f(x_3)-f'(x_2) x_3    \qquad \qquad (1)

which can be rewritten in the form resembling the Mean Value Theorem:

\displaystyle    f'(x_2) = \frac{f(x_1)-f(x_3)}{x_1-x_3}   \qquad \qquad (2)

If {f'} is strictly monotone, there can be only one {x_i} with {f'(x_i)=\alpha}. Hence {x_1=a} and {x_3=b} in this case, and we find {x_2} by solving (2). This gives {\alpha = f'(x_2)}, and then {\beta} is not hard to find.

Here is how I did this in Sage:

var('x a b')
f = sin(x)  # or another function
df = f.diff(x)
a = # left endpoint
b = # right endpoint

That was the setup. Now the actual computation:

var('x1 x2 x3')
x1 = a
x3 = b
x2 = find_root(f(x=x1)-df(x=x2)*x1 == f(x=x3)-df(x=x2)*x3, a, b)
alpha = df(x=x2)
beta = 1/2*(f(x=x1)-alpha*x1 + f(x=x2)-alpha*x2)
Fitting a line to the sine curve
Fitting a line to the sine

However, the algorithm fails to properly fit a line to the sine function on {[0,3\pi/2]}:

Not the best fit, obviously
Not the best fit, obviously

The problem is, {f'(x)=\cos x} is no longer monotone, making it possible for two of {x_i} to be interior points. Recalling the identities for cosine, we see that these points must be symmetric about {x=\pi}. One of {x_i} must still be an endpoint, so either {x_1=a} (and {x_3=2\pi-x_2}) or {x_3=b} (and {x_1=2\pi-x_2}). The first option works:

Best fit on [0,3pi/2]
Best fit on [0,3pi/2]

This same line is also the best fit on the full period {[0,2\pi]}. It passes through {(\pi,0)} and has the slope of {-0.2172336...} which is not a number I can recognize.

On the interval {[0,4\pi]}, all three of the above approaches fail:

Also wrong!
Also wrong!
What were you thinking?
What were you thinking?

Luckily we don’t need a computer in this case. Whenever {|f|} has at least three points of maximum with alternating signs of {f}, the Chebyshev equioscillation theorem implies that the best linear fit is the zero function.

Unreasonable effectiveness of the left endpoint rule

The left endpoint rule, and its twin right endpoint rule, are ugly ducklings of integration methods. The left endpoint rule is just the average of the values of the integrand over left endpoints of equal subintervals:

\displaystyle \int_a^b f(x)\,dx \approx \frac{b-a}{n} \sum_{i=0}^{n-1} f(a+i/n)

Here is its graphical representation with {n=10} on the interval {[-1,1]}: the sample points are marked with vertical lines, the length of each line representing the weight given to that point. Every point has the same weight, actually.

Left endpoint rule
Left endpoint rule

Primitive, ineffective, with error {O(1/n)} for {n} points used.

Simpson’s rule is more sophisticated, with error {O(1/n^4)}. It uses weights of three sizes:

Simpson's rule
Simpson’s rule

Gaussian quadrature uses specially designed (and difficult to compute) sample points and weights: more points toward the edges, larger weights in the middle.

Gaussian quadrature
Gaussian quadrature

Let’s compare these quadrature rules on the integral {\int_{-1}^1 e^x \cos \pi x\,dx}, using {10} points as above. Here is the function:

Nice smooth function
Nice smooth function
  • The exact value of the integral is {\dfrac{e^{-1}-e}{1+\pi^2}}, about -0.216.
  • Simpson’s rule gets within 0.0007 of the exact value. Well done!
  • Gaussian quadrature gets within 0.000000000000003 of the exact value. Amazing!
  • And the lame left endpoint rule outputs… a positive number, getting even the sign wrong! This is ridiculous. The error is more than 0.22.

Let’s try another integral: {\int_{-1}^1 \sqrt{4+\cos \pi x +\sin \pi x} \,dx}, again using {10} points. The function looks like this:

Another nice function
Another nice function

The integral can be evaluated exactly… sort of. In terms of elliptic integrals. And preferably not by hand:

Maple output, "simplified"
Maple output, “simplified”
  • Simpson’s rule is within 0.00001 of the exact value, even better than the first time.
  • Gaussian quadrature is within 0.00000003, not as spectacular as in the first example.
  • And the stupid left endpoint rule is … accurate within 0.00000000000000005. What?

The integral of a smooth periodic function over its period amounts to integration over a circle. When translated to the circle, the elaborate placement of Gaussian sample points is… simply illogical. There is no reason to bunch them up at any particular point: there is nothing special about (-1,0) or any other point of the circle.

Gaussian nodes on a circle
Gaussian nodes on a circle

The only natural approach here is the simplest one: equally spaced points, equal weights. Left endpoint rule uses it and wins.

Equally spaced points
Equally spaced points

The Nelder-Mead minimization algorithm

It is easy to find the minimum of {f(x,y) = x^2+16y^2} if you are human. For a computer this takes more work:

Search for the minimum of x^2+16y^2
Search for the minimum of x^2+16y^2

The animation shows a simplified form of the Nelder-Mead algorithm: a simplex-based minimization algorithm that does not use any derivatives of {f}. Such algorithms are easy to come up with for functions of one variable, e.g., the bisection method. But how to minimize a function of two variables?

A natural way to look for minimum is to slide along the graph in the direction opposite to {\nabla f}; this is the method of steepest descent. But for computational purposes we need a discrete process, not a continuous one. Instead of thinking of a point sliding down, think of a small tetrahedron tumbling down the graph of {f}; this is a discrete process of flips and flops. The process amounts to the triangle of contact being replaced by another triangle with an adjacent side. The triangle is flipped in the direction away from the highest vertex.

This is already a reasonable minimization algorithm: begin with a triangle {T}; find the values of {f} at the vertices of {T}; reflect the triangle away from the highest value; if the reflected point {R} has a smaller value, move there; otherwise stop.

But there’s a problem: the size of triangle never changes in this process. If {T} is large, we won’t know where the minimum is even if {T} eventually covers it. If {T} is small, it will be moving in tiny steps.

Perhaps, instead of stopping when reflection does not work anymore, we should reduce the size of {T}. It is natural to contract it toward the “best” vertex (the one with the smallest value of {f}), replacing two other vertices with the midpoints of corresponding sides. Then repeat. The stopping condition can be the values of {f} at all vertices becoming very close to one another.

This looks clever, but the results are unspectacular. The algorithm is prone to converge to a non-stationary point where just by an accident the triangle attains a nearly horizontal position. The problem is that the triangle, while changing its size, does not change its shape to fit the geometry of the graph of {f}.

The Nelder-Mead algorithm adapts the shape of the triangle by including the possibility of stretching while flipping. Thus, the triangle can grow smaller and larger, moving faster when the path is clear, or becoming very thin to fit into a narrow passage. Here is a simplified description:

  • Begin with some triangle {T}.
  • Evaluate the function {f} at each vertex. Call the vertices {W,G,B} where {W} is the worst one (the largest value of {f}) and {B} is the best.
  • Reflect {W} about the midpoint of the good side {GB}. Let {R} be the reflected point.
  • If {f(R)<f(B)}, then we consider moving even further in the same direction, extending the line {WR} beyond {R} by half the length of {WR}. Choose between {R} and {E} based on where {f} is smaller, and make the chosen point a new vertex of our triangle, replacing {W}.
  • Else, do not reflect and instead shrink the triangle toward {B}.
  • Repeat, stopping when we either exceed the number of iterations or all values of {f} at the vertices of triangle become nearly equal.

(The full version of the Nelder-Mead algorithm also includes the comparison of {R} with {G}, and also involves trying a point inside the triangle.)

Rosenbrock's function
Rosenbrock’s function

This is Rosenbrock’s function {f(x,y)=100(x^2-y)^2 + (x-1)^2}, one of standard torture tests for minimization algorithms. Its graph has a narrow valley along the parabola {y=x^2}. At the bottom of the valley, the incline toward the minimum {(1,1)} is relatively small, compared to steep walls surrounding the valley. The steepest descent trajectory quickly reaches the valley but dramatically slows down there, moving in tiny zig-zagging steps.

The algorithm described above gets within {0.001} of the minimum in 65 steps.

Minimizing Rosenbrock's function
Minimizing Rosenbrock’s function

In conclusion, Scilab code with this algorithm.

x = -0.4:0.1:1.6; y = -2:0.1:1.4          // viewing window  
[X,Y] = meshgrid(x,y); contour(x,y,f(X,Y)',30)  // contour plot
plot([1],[1],'r+')                             // minimum point
tol = 10^(-6)
n = 0
T = [0, -1.5 ; 1.4, -1.5; 1.5, 0.5]        //  initial triangle
for i=1:3 
    values(i) = f(T(i,1), T(i,2))
while (%T) 
    xpoly(T(:,1),T(:,2),'lines',1)         // draw the triangle  
    [values, index] = gsort(values)          // sort the values 
    T = T(index,:)       
    if values(1)-values(3) < tol            // close enough?
        mfprintf(6, "Minimum at (%.3f, %.3f)",T(3,1),T(3,2))
    R = T(2,:) + T(3,:) - T(1,:)             // reflected  
    fR = f(R(1),R(2))
    if fR < values(3)                         
        E = 1.5*T(2,:) + 1.5*T(3,:) - 2*T(1,:)  // extended  
        fE = f(E(1),E(2))
        if fE < fR 
            T(1,:)=E; values(1)=fE     // pick extended 
            T(1,:)=R; values(1)=fR     // pick reflected 
        for i=1:2
            T(i,:) = (T(i,:)+T(3,:))/2      // shrink
            values(i) = f(T(i,1), T(i,2))      
    n = n+1
    if n >= 200
        disp('Failed to converge'); break    //  too bad 

Hertzsprung–Russell diagram of Stack Exchange sites

The Hertzsprung–Russell diagram is a scatter plot of stars by temperature and luminosity.

Hertzsprung–Russell diagram*

Traditionally, it is shown with temperature axis pointing from right to left, which I don’t really like.

Stack Exchange family of sites is not (yet) as numerous as stars in the Universe; there are only 120 or so of them. But they can also be organized on a two-parameter log-log scatterplot. The two parameters are: total number of questions (intrinsic characteristic, like surface temperature) and the number of daily visits (luminosity in Internet terms).

The linear scale chart was not going to work, due to the supergiant size of Stack Overflow:

Linear scale
Linear scale

Even on the log-log scale Stack Overflow is an outlier, but within reason:

log-log scale
log-log scale

The colors follow Stack Exchange classification: Technology, Science, Culture & Recreation, Life & Arts, Business, Professional. The largest of science sites, and the second largest overall, is Mathematics, although it trails several non-science sites in luminosity.

Annotated version of the above diagram:

Annotated diagram
Annotated diagram

Both Mathematics and MathOverflow have low traffic compared to their size: perhaps the Internet audience is just not that into math? On the other hand, the young Mathematics Educators site is way up in the traffic category.

Ironically, Astronomy is a low-luminosity site, trailing in traffic the much smaller Earth Science. Other annotated science sites are well established by now: Physics, Statistics, and (slow-moving) Theoretical Computer Science.

The only two non-technology sites that beat Mathematics in traffic are Gaming and English. Gaming isn’t really an exception here, since all large “technology” sites revolve around computers.

Three of the sites have extremely low traffic currently: Beer, Italian, and Expatriates. If this does not improve, they may be shut down… or perhaps merged into one: Beer for Italian Expatriates.

(*) “Hertzsprung-Russel StarData” by ESOhttp://www.eso.org/public/images/. Licensed under CC BY 3.0 via Wikimedia Commons.

Fractal-ish monotone functions

There are several ways to construct a strictly increasing continuous function which has zero derivative almost everywhere. I like the explicit construction given by R. Salem, On some singular monotonic functions which are strictly increasing (1943).

lambda = 1/4
lambda = 1/4

Here is a streamlined version of the construction.

Fix {\lambda\in (0,1/2)} (on the above picture {\lambda=1/4}). Let {f_0(x)=x}, and inductively define {f_{n+1}} so that

  1. {f_{n+1} (x) = f_n(x)} when {x\in 2^{-n}\mathbb Z}.
  2. If {x\in 2^{-n}\mathbb Z}, let {f_{n+1}(x+2^{-n-1}) =\lambda f_n(x) + (1-\lambda) f_n(x+2^{-n})}.
  3. Now that {f_{n+1}} has been defined on {2^{-n-1}\mathbb Z}, extend it to {\mathbb R} by linear interpolation.
  4. Let {f=\lim f_n}.

Since {f(x+1)=f(x)+1} by construction, it suffices to understand the behavior of {f} on {[0,1]}.

Each {f_n} is piecewise linear and increasing. At each step of the construction, every line segment of {f_n} (say, with slope {s}) is replaced by two segments, with slopes {2(1-\lambda)s} and {2\lambda s}. Since {\lambda<1/2}, it follows that {f_{n+1}(x+2^{-n-1}) > f_n(x+2^{-n-1})}. Hence, {f_{n+1}\ge f_n}.

Since {f(x)=f_n(x)} when {x\in 2^{-n}\mathbb Z}, it is easy to understand {f} by considering its values at dyadic rationals and using monotonicity. This is how one can see that:

  • The difference of values of {f} at consecutive points of {2^{-n}\mathbb Z} is at most {(1-r)^{n}}. Therefore, {f} is Hölder continuous with exponent {\alpha = - \frac{\log (1-r)}{\log 2}}.
  • The difference of values of {f} at consecutive points of {2^{-n}\mathbb Z} is at least {r^{n}}. Therefore, {f} is strictly increasing, and its inverse is Hölder continuous with exponent {\alpha = - \frac{\log r}{\log 2}}.

It remains to check that {f'=0} almost everywhere. Since {f} is monotone, it is differentiable almost everywhere. Let {x} be a point of differentiability (and not a dyadic rational, though this is automatic). For each {n} there is {x_n\in 2^{-n}\mathbb Z} such that {x_n < x< x_n+2^{-n}}. Let {s_n = 2^{n} (f_n(x_n+2^{-n})-f_n(x_n))}; this is the slope of {f_n} on the {2^{-n}}-dyadic interval containing {x}. Since {f'(x)} exists, we must have {f'(x) = \lim_{n\rightarrow\infty} s_n}. On the other hand, the ratio of consecutive terms of this sequence, {s_{n+1}/s_n}, is always either {2 (1-\lambda )} or {2\lambda}. Such a sequence cannot have a finite nonzero limit. Thus {f'(x)=0}.

Here is another {f}, with {\lambda=1/8}.

lambda = 1/8
lambda = 1/8

By making {\lambda} very small, and being more careful with the analysis of {f'}, one can make the Hausdorff dimension of the complement of {\{x \colon f'(x)=0\}} arbitrarily small.

An interesting modification of Salem’s function was introduced by Tukia in Hausdorff dimension and quasisymmetric mappings (1989). For the functions considered above, the one-sided derivatives at every dyadic rational are zero and infinity, which is a rather non-symmetric state of affair. In particular, these functions are not quasisymmetric. But Tukia showed that if one alternates between {\lambda} and {1-\lambda} at every step, the resulting homeomorphism of {\mathbb R} becomes quasisymmetric. Here is the picture of alternating construction with {\lambda=1/4}; preliminary stages of construction are in green.

Tukia's modification of Salem's function
Tukia’s modification of Salem’s function

This is quite similar to how the introduction of alternating signs turns Takagi curve (blancmange curve) into a quasiarc (i.e., a curve without cusps); see Sweetened and flavored dessert made from gelatinous or starchy ingredients and milk. But the fractal curves in this post are relatively mild-mannered: they are rectifiable (and thus, not really fractal).

Here is the simple Scilab code I used for the above plots.

r = 1/4
t = [0 1]
f = t
for i = 1:10
    t = [t, t(1:$-1)+2^(-i)]
    f = [f, r*f(1:$-1)+(1-r)*f(2:$)]
    [t, ind] = gsort(t,'g','i')
    f = f(ind)

To have preliminary stages shown as well, move plot(t,f) into the loop. For Tukia’s alternating version, insert the line r = 1-r into the loop.

Link to preliminary version of this post.

Unreasonable effectiveness of Runge-Kutta 2

I used to give this example of an initial-value problem whenever numerical solutions of ODE came up in class:

\displaystyle    y' = -y^2, \quad y(0)=1

The exact solution is {y(t)=1/(1+t)}. Using Euler’s method with step {h=1} (admittedly large) we get, starting with {y_0=1}:

\displaystyle    y_1 = y_0 + h (-y_0^2) = 0,\quad y_2 = y_1 + h (-y_1^2) = 0, \dots

The numerical solution drops down to zero at once and stays there. Not good at all.

Euler's method
Euler’s method

The trapezoidal version of RK2 (also known as improved Euler, or Heun’s method) treats the above value of {y_1} merely as prediction {\tilde y_1}, and computes the actual {y_1} using the average of the slopes at {y_0} and {\tilde y_1}:

\displaystyle    y_1 = y_0 + \frac{h}{2} (-y_0^2 - \tilde y_1^2) = 1 + \frac12 (-1 - 0 ) = \frac12

… which is right on target. Let’s do it again: the prediction {\tilde y_2 = y_1 + h (-y_1^2) = 1/4} and correction

\displaystyle    y_2 = y_1 + \frac{h}{2} (-y_1^2 - \tilde y_2^2) = 1 + \frac12 \left(-\frac{1}{4}-\frac{1}{16} \right) =    \frac{11}{32}

… which is {\approx 0.34}, compared to the exact solution {1/3}. Nice!

Trapezoidal RK2
Trapezoidal RK2

I like the example, because all numbers are manageable with mental arithmetics for two steps. And it’s clear that {11/32} is pretty close to {1/3 = 11/33}.

But the fact that the relative error stays below {3.7\%} throughout the computation despite the large step size {h=1} seems… too good to be true. Consider that for the exact solution, the expression {y^2} can differ by the factor of {4} between two {t}-values at distance {1}.

The midpoint version of RK2, which generally performs about as well as the trapezoidal version, is nowhere as close in this example. Indeed, using the same data as above, we get

\displaystyle    y_1 = y_0 - h \left(\frac{y_0+\tilde y_1}{2}\right)^2 = \frac{3}{4}

and so forth: the relative error reaches {59\%} at the second step. That’s 16 times worse than the trapezoidal version.

Midpoint RK2
Midpoint RK2

What happens here has less to do with numerical analysis than with algebra of rational functions. Using {h=1} in trapezoidal RK2, we are in effect iterating the function

\displaystyle \varphi(y) = y + \frac12 (-y^2-(y-y^2)^2) = y-y^2+y^3-\frac12 y^4

The exact solution would be obtained by iterating

\displaystyle \Phi (y) = \frac{y}{1+y} = y-y^2+ y^3 - y^4 + \dots

Two functions just happen to coincide at {y=1}, which is our starting point here.

Two iterands
Two iterands

From there we get to {0.5}, and on {[0,0.5]} they are really close anyway, due to another coincidence: the truncation error {|\varphi(y)-\Phi(y)|} is {O(y^4)} instead of {O(y^3)} as it is normally for second-order methods.

The midpoint method with {h=1} amounts to iterating

\displaystyle \psi(y) = y - \left(\frac{y+y-y^2}{2} \right)^2 = y-y^2+y^3-\frac14 y^4

which is not substantially further away from {\Phi}, but does not enjoy the lucky coincidence at {y=1}.

The tables are turned with the initial value {y_0=3}. The exact solution is {y(t) = 3/(1+3t)}, which drops sharply from {t=0} to {t=1}; its slope decreases by the factor of {16} during one step. Still, midpoint-RK2 does a decent job with {h=1}:

Midpoint RK2 starting with y=3
Midpoint RK2 starting with y=3

while trapezoidal RK2 outputs {y_1=-19.5}, {y_2=-80110}, {y_3 = -2\cdot 10^{19}} and promptly overflows.

With a reasonable step size, like {h=0.1}, normality is restored: both methods perform about equally well, with {0.13\%} error for trapezoidal and {0.21\%} for midpoint.

Calculating 2*2 with high precision

The definition of derivative,

\displaystyle    f'(x) = \lim_{h\rightarrow 0}\frac{f(x+h) - f(x)}{h}   \ \ \ \ \ \ \ \ \ \ (1)

is not such a great way to actually find the derivative numerically. Its symmetric version,

\displaystyle    f'(x) = \lim_{h\rightarrow 0}\frac{f(x+h) - f(x-h)}{2h}   \ \ \ \ \ \ \ \ \ \ (2)

performs much better in computations. For example, consider the derivative {f(x)=e^x } at the point {x=1}. We know that {f'(1)=2.718281828\dots}. Numerically, with {h=0.001}, we get

\displaystyle    \frac{f(1+h) - f(1)}{h} \approx \mathbf{2.71}9 \dots

(error {>10^{-3}}) versus

\displaystyle    \frac{f(1+h) - f(1-h)}{2h} \approx \mathbf{2.71828}2 \dots

(error {<10^{-6}}).

Considering this, why don’t we ditch (1) altogether and adopt (2) as the definition of derivative? Just say that by definition,

\displaystyle    f'(x) = \lim_{h\rightarrow 0}\frac{f(x+h)-f(x-h)}{2h}

whenever the limit exists.

This expands the class of differentiable functions: for example, {f(x)=|x|} becomes differentiable with {f'(0)=0}. Which looks more like a feature than a bug: after all, {f} has a minimum at {0}, and the horizontal line through the minimum is the closest thing to the tangent line that it has.

Another example: the function

\displaystyle     f(x) = \begin{cases} x ,\quad & x\le 0 \\ 3x,\quad & x>0 \end{cases}

has {f'(0)=2} under this definition, because

\displaystyle    \lim_{h\rightarrow 0^+}\frac{f(x+h)-f(x-h)}{2h} = \lim_{h\rightarrow 0^+}\frac{3h-(-h)}{2h} = 2


\displaystyle    \lim_{h\rightarrow 0^-}\frac{f(x+h)-f(x-h)}{2h} = \lim_{h\rightarrow 0^-}\frac{h-3(-h)}{2h} = 2

This example also makes sense: since {f(x)=|x|+2x}, getting {f'(0)=0+2} is expected. In fact, with the new definition we still have basic derivative rules: if {f,g} are differentiable, then {f+g}, {f-g}, {fg}, {f/g} are also differentiable (with the usual caveat about {g\ne 0}) and the familiar formulas hold.

Let’s test the chain rule on the function {g = f\circ f}. The rule says

\displaystyle     g'(0) = f'(f(0)) f'(0)    \ \ \ \ \ \ \ \ \ \ (3)

Since {f(0)=0}, the product on the right is {2\cdot 2}. On the other hand,

\displaystyle     g(x) = \begin{cases} x ,\quad & x\le 0 \\ 9x,\quad & x>0 \end{cases}

which implies, by a computation similar to the above, that {g'(0)=5}. So, if we want to have the chain rule (3), we must accept that

\displaystyle     \mathbf{2\cdot 2 = 5}

This is where the desire for high numerical precision leads.

Plenty of other things go wrong with the symmetric definition:

  • Maximum or minimum of {f} may be attained where {f'} exists and is nonzero.
  • A differentiable function may be discontinuous.
  • Having {f'>0} everywhere does not imply that {f} is increasing.
  • Mean Value Theorem fails.

Polygonal inequalities: beyond the triangle

(Related to previous post but can be read independently). The triangle inequality, one of the axioms of a metric space, can be visualized by coloring the vertices of a triangle by red and blue.

Triangle with colored vertices
Colored Triangle

The inequality says that the sum of monochromatic distances must not exceed the sum of dichromatic distances. That is, for every assignment of the vertices to points in the space, the sum of all red-red and blue-blue distances does not exceed the sum of red-blue distances. An assignment is just a map from the set of vertices {V} to the metric space {X}; it need not be injective.

But why stop at the triangle? We can take any number of points (vertices), color them in some way, and require the same polygonal inequality:

\displaystyle \text{monochromatic } \le \text{ dichromatic}

Already for the square we have two distinct plausible colorings to explore: even red-blue split

Evenly colored square
Evenly Colored Square

and predominantly red square

(mostly) Red Square
(mostly) Red Square

But it turns out that the second coloring is useless: the inequality it defines fails in every metric space with more than one point. More generally, suppose we have {R} red points and {B} blue ones, and {R- B\ge 2}. Pick two distinct points {a,b\in X}. Assign one red point to {a} and all others to {b}. The sum of monochromatic distances is {(R-1)\,d(a,b)} while the sum of dichromatic distances is {B\,d(a,b)}, which is strictly less.

So, we are limited to nearly-even colorings: those with {|R-B|\le 1}. For even numbers of vertices this means even split, while odd numbers should be divided as evenly as possible: like 3+2 for the pentagon.

Here is the pentagram again.
Colored Pentagon

The inequalities turn out to be related. For every {n}, the {n}-gonal inequality implies the {(n-2)}-gonal inequality, because if we assign two opposite-colored vertices to the same point, their contributions cancel out. More interestingly: when {n} is odd, the {n}-gonal inequality implies the {(n-1)}-gonal inequality. Indeed, suppose we have {(n-1)} points, evenly colored. Add an arbitrary {n}th point. Whether the added point is blue or red, the {n}-gonal inequality holds. Averaging these two inequalities, we see the effect of the added points canceling out.

So, if the {n}-gonal inequality holds for all odd {n}, it holds for all {n}. This property is exactly the hypermetric property from the previous post. Except it was stated there in a different form:

\displaystyle  \sum_{i,j}b_i b_j d(x_i , x_j ) \le 0

for every finite sequence of points {x_i\in X} and every choice of integers {b_i} such that {\sum_i b_i=1}. But if the point {x_i} is repeated {|b_i|} times, we can replace {b_i} by {\mathrm{sign}\,b_i}. Then represent +1 as blue and -1 as red.

The hypermetric inequalities were introduced by John B. Kelly (a student of William Ted Martin) in late 1960s. He showed they are necessary for the space to be embeddable into the space {\ell^1}. It would be great if they were also sufficient (and for some classes of spaces they are), but this is not so: a counterexample was given by Patrice Assouad in 1977.

It is also interesting to consider the {n}-gonal inequalities for even {n} only. By repetition of vertices, they are equivalent to requiring

\displaystyle  \sum_{i,j}b_i b_j d(x_i , x_j ) \le 0 \quad\quad \quad (1)

for every finite sequence of points {x_i\in X} and every choice of integers {b_i} such that {\sum_i b_i=0}. But of course then we have (1) for rational {b_i} (just clear the denominators), hence for all real {b_i} (by approximation), as long as they sum to {0}. So, the requirement amounts to the matrix {(d(x_i,d_j))} being negative semidefinite on the subspace {\sum x_i=0}. Such metrics are called metrics of negative type.

Their relation to embeddability of the space is well-known: {(X,d)} is of negative type if and only if the “snowflake” {(X,\sqrt{d})} isometrically embeds into a Hilbert space. In other words, we can “draw” any finite metric space of negative type in a Euclidean space, with the understanding that Euclidean distances represent the square roots of the actual distances. This embedding result is a 1935 theorem of Isaac Schoenberg who is also known for connecting dots naturally (introducing splines).

Pentagrams and hypermetrics

The Wikipedia article Metric (mathematics) offers a plenty of flavors of metrics, from common to obscure: ultrametric, pseudometric, quasimetric, semimetric, premetric, hemimetric and pseudoquasimetric (I kid you not).

One flavor it does not mention is a hypermetric. This is a metric {d} on a set {X} such that the inequality

\displaystyle  \sum_{i,j}b_i b_j d(x_i , x_j ) \le 0 \ \ \ \ \ \ \ \ \ (1)

holds for every finite sequence of points {x_i\in X} and every choice of integers {b_i} such that {\sum_i b_i=1}. The requirement that {b_i} be integers gives some combinatorial meaning to (1); this is not just some quadratic form being negative semidefinite.

As a warm-up, observe that (1) contains in it the triangle inequality: with {b_1=b_2=1} and {b_3=-1} we get {d(x_1,x_2)-d(x_1,x_3)-d(x_2,x_3)\le 0}. But it appears that (1) says something about “polygons” with more vertices too.

To make (1) worth thinking about, it should be satisfied by some important metric space. Such as the real line {\mathbb R}, for example. It is not quite obvious that the inequality

\displaystyle  \sum_{i,j}b_i b_j |a_i - a_j| \le 0 \ \ \ \ \ \ \ \ \ (2)

holds for all reals {a_i} and all integers {b_i} adding up to {1}. It helps to order the numbers: {a_1\le \dots\le a_m} and focus on the contribution of a particular gap {[a_k,a_{k+1}]} to the sum (2). The amount it contributes is {|a_k-a_{k+1}|} multiplied by

\displaystyle    \sum_{i\le k<j} b_i b_j = \left(\sum_{i\le k} b_i \right) \left(\sum_{j > k} b_j \right) = \left(\sum_{i\le k} b_i \right) \left(1-\sum_{i\le k} b_i \right) \le 0

because {n(1-n)\le 0} for every integer {n}. This proves (2).

Now that we have one hypermetric space, {\mathbb R}, other such spaces can be created easily. If {X} is any set and {f \colon X\rightarrow\mathbb R} any function, consider {d(x,y) = |f(x)-f(y)|}, the pullback pseudometric on {X}. By applying (2) to the numbers {f(x_i)}, we see that {d} satisfies the hypermetric inequality. Since (1) is additive in {d}, we can take any family of functions {f_\alpha \colon X\rightarrow\mathbb R} and add together the corresponding pseudometrics. Or even integrate them against a positive measure: {d(x,y)=\int |f_\alpha(x)-f_\alpha(y)|\,d\mu(\alpha)}.

For example, the plane {\mathbb R^2} is a hypermetric space, because the distance between two points {(x_1,y_1)} and {(x_2,y_2)}, besides the familiar form

\displaystyle  \sqrt{(x_1-x_2)^2 + (y_1-y_2)^2}

can also be represented as an integral of the aforementioned pullbacks:

\displaystyle  \frac12 \int_0^\pi \big| (x_1-x_2)\cos \alpha + (y_1-y_2) \sin\alpha \big| \,d\alpha

A similar integral representation holds in all dimensions; thus, all Euclidean spaces are hypermetric.

Okay, what is not a hypermetric then? For example, the cube distance induced by the norm {\|x\|_\infty=\max |x_i|} is not, in dimensions 3 and higher. Specifically, (1) fails as the five-point inequality with {(b_1,\dots,b_5) =(1,1,1,-1,-1)}. I’ll call it the pentagram inequality:

also known as K_5 in mystical literature
also known as K_5 in mystical literature

It says that for any five points in the space the sum of monochromatic distances does not exceed the sum of all bi-chromatic (red-blue) distances.

The pentagram inequality fails when {x_1,\dots,x_5} are the columns of the matrix

\displaystyle  \begin{pmatrix}    1& 1& 1& 2& 0\\    0& 2& 2& 1& 1\\    0& 1& 0& 1& 0\\    \end{pmatrix}

(first three columns blue, the last two red). Indeed, the sum of monochromatic distances is {2+1+2+2=7} while the sum of bichromatic distances is {1+1+1+1+1+1=6}.

If the above example does not look conceptual enough, it’s because I found it via computer search. I don’t have much intuition for the pentagram inequality.

Anyway, the example delivers another proof that taking the maximum of three numbers is hard. More precisely, there is no isometric embedding of {\mathbb R^3} with the maximum metric into {\ell_1}. Unlike the earlier proof, this one does not assume the embedding is linear.

A good reference for hypermetric inequalities is the book Geometry of cuts and metrics by Deza and Laurent.

Maximum of three numbers: it’s harder than it sounds

This simple identity hold for any two real numbers {x,y}:

\displaystyle   \max(|x|,|y|) = \frac12\,(|x+y|+|x-y|)   \ \ \ \ \  \ \ \ \ \ (1)

Indeed, if {|x|} realizes the maximum, then both {x+y} and {x-y} have the same sign as {x}. After opening the absolute value signs, we get {y} to cancel out.

So, (1) represents {\max(|x|,|y|)}, also known as the {\ell_\infty} norm, as the sum of absolute values of linear functions. Let’s try the same with {\max(|x|,|y|,|z|)}. Since the right hand side of (1) is just the average of {|\pm x \pm y|} over all possible choices of {\pm } signs, the natural thing to do is to average {|\pm x \pm y \pm z|} over all eight choices. The sign in front of {x} can be taken to be {+}, which simplifies the average to

\displaystyle    \frac14\,(|x+y+z|+|x+y-z|+|x-y+z|+|x-y-z|)    \ \ \ \ \  \ \ \ \ \ (2)

Does this formula give {\max(|x|,|y|,|z|)}? Instead of trying random numbers, let’s just plot the unit ball for the norm given by (2). If the identity works, it will be a cube. I used Maple:

with(plots): f:=(abs(x+y+z)+abs(x+y-z)+abs(x-y-z)+abs(x-y+z))/4:
My precious!
My precious!

Close, but no cube. Luckily, this is my favorite Archimedean solid, the cuboctahedron.

Although all terms of (2) look exactly the same, the resulting shape has both triangular and square faces. Where does the difference of shapes come from?

More importantly, is (2) really the best we can do? Is there some other sum of moduli of linear functions that will produce {\max(|x|,|y|,|z|)}?

— No.

Even if negative coefficients are allowed?

— Even then. (But you can come arbitrarily close.)

What if we allow integrals with respect to an arbitrary (signed) measure, as in

\displaystyle    \iiint |\alpha x+\beta y+\gamma z|\,d \mu(\alpha, \beta, \gamma)    \ \ \ \ \  \ \ \ \ \ (3)

— Still no. But if {\mu} is allowed to be a distribution of higher order (an object more singular than a measure), then a representation exists (W. Weil, 1976). Yes, one needs the theory of distributions to write the maximum of three numbers as a combination of linear functions.

I’ll only prove that there is no identity of the form

\displaystyle  \max(|x|,|y|,|z|) = \sum_{i=1}^N |\alpha_i x+\beta_i y+ \gamma_i z|

Indeed, such an identity amounts to having an isometric embedding {T\colon \ell_\infty^3 \rightarrow \ell_1^N}. The adjoint operator {T^* \colon \ell_\infty^N \rightarrow \ell_1^3} is a submetry meaning that it maps the unit ball of {\ell_\infty^N } onto the unit ball {\ell_1^3}. The unit ball of {\ell_\infty^N } is just a cube; all of its faces are centrally symmetric, and this symmetry is preserved by linear maps. But {\ell_1^3} is an octahedron, with triangular faces. A contradiction. {\ \Box}

An aside: what if instead of averaging {|\pm x \pm y|} over all {\pm } choices (i.e., unimodular real coefficients) we take the average over all unimodular complex coefficients? This amounts to {\|(x,y)\| = \frac{1}{2\pi} \int_0^{2\pi} |x+e^{it}y|\,dt}. I expected something nice from this norm, but

Complex averaging in real space
Complex averaging in real space

it’s a strange shape whose equation involves the complete elliptic integral of second kind. Yuck.