2004 01163 PDF
2004 01163 PDF
STEFAN STEINERBERGER
arXiv:2004.01163v2 [math.CO] 16 Apr 2020
Key words and phrases. Shortest Path Problem, Spectral Theory, Hot Spots.
S.S. is supported by the NSF (DMS-1763179) and the Alfred P. Sloan Foundation.
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We introduce a new algorithm based on Spectral Graph Theory; the main point
is not to find a new algorithm to compute the shortest path (though it may have
interesting applications, see §2.4) but to introduce a phenomenon in Spectral Graph
Theory. The algorithm does not always result in the shortest path but it does seem
to result in surprisingly short paths (and even on fairly strange graphs it tends to
find the shortest path for a vast majority of vertices, see §3). What is interesting
about this algorithm is that the reason for its effectiveness is closely related to
some famously unsolved problems in Partial Differential Equations (see §2.4): any
type of result that one can prove about this algorithm on graphs may lead to
a better understanding of the PDE problem in the continuous setting! There is
an understanding that ‘robust’ phenomena in PDEs also occur on graphs and,
conversely, anything that one can prove on graphs one can often also prove for
PDEs, see [12, 13, 84, 93] for recent examples. One contribution of our paper is
to show that the phenomenon that causes ‘Hot Spots’ of eigenfunctions to be on
the boundary is ‘robust’ in this sense. In light of this, any progress on the discrete
problem could be of substantial interest.
1.2. The Algorithm. We now present the algorithm. We assume that G = (V, E)
is a simple, connected graph with |V | = n vertices which, for simplicity, we label
{1, . . . , n}. We will assume that D ∈ Rn×n is a diagonal matrix where dii = deg(i)
is the degree of the vertex i. We will use A to denote the (symmetric) adjacency
n×n
matrix A = (aij ) ∈ {0, 1} where aij = 1 if and only if (i, j) ∈ E.
Algorithm.
Input: a graph G = (V, E) and two vertices i, j ∈ V .
Output: a path from j to i.
(Preprocessing)
(1) Construct the matrix L = D − A and construct Li by deleting
the i−th row and the i−th column of L.
(2) Find an eigenvector φ ∈ Rn associated to the smallest positive
eigenvalue of Li and interpret it as a function φ : V \ {i} → R.
(3) If φ has negative entries, multiply it with −1. Set φ(i) = 0.
(Path Construction)
(4) Construct a path by starting in x0 = j.
(5) While xk 6= i, look at all the neighbors of xk and pick xk+1 to
be a neighbor for which φ assumes its minimum.
In practical problems the algorithm can be applied twice: once to find a path from
i to j and then to find one from j to i. We observe in practice that this trick
leads to optimal paths in many settings (see §3). We will now give some simple
heuristic motivating the algorithm. For any function f : V → R, we can consider
the quadratic form
X
hf, Lf i = (f (w1 ) − f (w2 ))2
(w1 ,w2 )∈E
and try to minimize it. Clearly, the quadratic form has a scaling symmetry under
multiplication with constants: it is thus customary to assume
X
f (v)2 = 1.
v∈V
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For simple, connected graphs, this minimization procedure is quite simple: clearly,
the minimum will be given by constant functions resulting in the value 0. This
is also sometimes referred to as the ‘trivial’ eigenvector of the Graph Laplacian.
Instead, what we will do is to pick a fixed i ∈ V and consider the minimization
problem over all functions f : V → R for which f (i) = 0, i.e.
X X
φ = arg min (f (w1 ) − f (w2 ))2 subject to f (v)2 = 1.
f (i)=0
(w1 ,w2 )∈E v∈V
This minimization problem cannot result in constant functions. The way it is set
up, we expect f to be small around vertices close to i and larger when it is further
away. This simple heuristic, though meaningful and easily verified in practice, is
not really mathematically understood (see §2.4.). In terms of computation, it is
easily verified that
X
f T (D − A)f = (f (w1 ) − f (w2 ))2
(w1 ,w2 )∈E
and thus minimizing the quadratic form is akin to finding the smallest eigenvectors
of D−A (which is the constant eigenvector). If we additionally enforce that f (i) = 0,
then a quick inspection on the left-hand side shows that this the same problem
after having removed the i−th row and i−th column of D − A. Since the graph is
connected, the smallest eigenvalue will be larger than 0. The smallest eigenvector φ
is unique and does not change sign (so up to multiplication with −1 we can assume
it to have nonnegative entries). We note that if removing the vertex i disconnects
the graph (as is, for example, the case for some vertices on trees), then the problem
decouples into two or more problems and can be solved one-by-one on each graph.
1.3. Numerical Remarks. One might a priori assume that minimizing a qua-
dratic form, finding the smallest eigenvalue of a matrix, is prohibitively expensive.
However, there have been recent spectacular advances on nearly-in-time solvers
of equations involving Graph Laplacians, we refer to work of Spielman & Teng
[77, 78, 79], the papers [17, 18, 48, 49, 50, 54] and the book of Vishnoi [87]. We
point out that Spielman & Teng [79] give an algorithm that computes an approx-
imation of the first nontrivial eigenfunction in O(|V
e | + |E|). Similarly expensive
techniques have been profitably used in Computer Graphics, see §2.4.
2. The Results
2.1. The Algorithm terminates. Our first result is that the algorithm provably
terminates. This requires us to prove several properties about the solution of the
minimization problem (in particular, uniqueness, that it only vanishes in one point
and that there are no local minima).
Theorem 1. The Algorithm produces a path between the vertices.
The argument follows classical arguments from the continuous setting in spirit, we
refer to Courant & Hilbert [19, 20]. One downside is that the argument does not
seem to result in quantitative estimates which would be desirable: as emphasized
above, and in other parts of the paper, this is not merely an interesting question
in terms of the algorithm proposed here. A better understanding of the algorithm
would likely to lead progress on some notoriously difficult questions in partial dif-
ferential equations (see §2.4).
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2.2. Trees. We can prove that the algorithm produces the optimal path on graphs
that are connected trees.
Theorem 2. The Algorithm produces the shortest path on connected trees.
The argument makes use of a reflection trick that allows us to reduce the problem
to one the has been studied previously (with a recent and particularly short solution
by Lederman and the author [52]). Needless to say, it would be very nice to have
an extension of the result to broader classes of graphs.
2.3. A Continuous Analogue. In this section, we describe a continuous analogue
of the statements above (which, indeed, was motivated by the results above). We
will consider a simply connected domain Ω ⊂ R2 with smooth boundary. We assume
the boundary is comprised of two parts: a simply connected set ∂Ω0 (homeomorphic
to an interval) and the complement ∂Ωn (see Fig. 2 for a sketch of how such a
domain could look like).
∂Ωn
∂Ω0
2.4. Related Results and Problems. We first discuss some explicitly related ap-
proaches in Computer Graphics and then relate these questions to classical problem
for Partial Differential Equations.
Geodesics in Heat. To the best of our knowledge, the philosophically most re-
lated approach that we were able to find in the literature is the heat construction
of Crane, Weischedel & Wardetzky [21, 22] to obtain a natural notion of distance.
Their idea consists of solving the heat equation with an initial point source δx for a
short amount of time t to obtain et∆ δx . Varadhan’s Lemma [85, 86] suggests that
this solution behaves roughly like a Gaussian in the geodesic distance. This infor-
mation is then used by solving a second elliptic equation to obtain a normalized
distance. The method is shown to be effective in obtaining a notion of intrinsic
distance on a variety of domains and has inspired a lot of subsequent work, we
mention [9, 32, 55, 58, 75, 82, 91, 92]. Crane, Weischedel & Wardetzky [21, 22]
also establish that the method can, in principle, recover the exact distances on
graphs as t → 0 (the implicit constant in their result was shown by the author
to have combinatorial significance [80]). This may not be reasonable in practice
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Hot Spots Conjecture. The Hot Spots conjecture, first posed by Rauch at a 1974
conference in Tulane, asks whether, for a domain Ω ⊂ R2 , the first nontrivial eigen-
function of the Laplacian with Neumann boundary conditions assumes maximum
and minimum on the boundary. It is not quite clear what to assume on the domain
Ω. Burdzy & Werner [11] constructed a counterexample for a domain that is not
simply connected, so the conjecture is now commonly stated either for simply con-
nected domains or convex domains. The Hot Spots conjecture has inspired a lot of
work, we refer to [3, 4, 5, 6, 7, 8, 10, 11, 31, 35, 36, 41, 42, 44, 46, 65, 62, 63, 64, 70, 81]
and references therein. It is expected that some form of the statement is also true in
higher dimensions and on manifolds. The relationship to the problem we consider
is as follows: let −∆φ2 = µ2 φ2 denote the second Neumann eigenfunction. It has
mean value 0 and, generically, we expect the nodal line {x : φ2 (x) = 0} to have one
connected component that touches the boundary ∂Ω in two points and to separate
Ω into two connected components Ω = Ω1 ∪ Ω2 . This is Payne’s nodal domain
conjecture [67] which is known to hold in convex domains [1, 65] and known to fail
in some other settings [31, 39]. Let us now take a simply connected component of
{x : φ2 (x) > 0}. This domain is partially bounded by Dirichlet conditions φ2 (x) = 0
and, on the boundary of ∂Ω, by Neumann boundary conditions ∂u/∂n = 0. This is
the natural continuous analogue of the equation we consider graphs. What one ob-
serves in the continuous setting is that φ2 is a remarkably simple object that seems
to, more or less, nicely increase with distance from the nodal set; the maxima being
on the boundary being merely one instance of this phenomenon. This phenomenon
is poorly understood.
One of the contributions of our paper is a simple algorithm on graphs whose ef-
ficiency is rooted in the very same phenomenon. In particular, it seems that the
underlying reason why the Hot Spots Conjecture is true, is robust enough to survive
the transition to graphs. This is well in line with the assumption that versions of
the Hot Spots conjecture will also hold in higher dimensions. We point out that
Hot Spots problems are not usually considered on graphs due to the difficulty of
defining the boundary; we believe our approach to be a suitably adapted analogue
that avoids this problem altogether. It is quite conceivable that the discrete setting,
allowing for a different set of tools, may give rise to new ideas for the continuous
problem and this is part of the motivation underlying this paper. While the exis-
tence of the phenomenon, the solution of the PDE behaving nicely with respect to
the distance from the nodal set, is not surprising, perhaps its strength, mirrored in
these surprisingly accurate results on topologically highly nontrivial graphs, is.
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which shows that every vertex v 6= i has a neighboring vertex w such that
φ(w)deg(w)−1/2 < φ(v)deg(v)−1/2
and the algorithm has to account for this change and minimize this expression
instead. What we observe in basic numerical experiments is that in many cases
that we considered, these three Laplacians perform in a very similar way but that
D−A seems, generically, to yield slightly better results. It is not clear to us whether
there are other differential operators that might end up yielding even better results.
2.6. Open Problems. We conclude with a list of open questions; we will only
ask them in the discrete setting but they are (with the proper modifications) also
interesting in the continuous setting.
(1) Rigorous results. Which rigorous results can be proven about the algo-
rithm? We emphasize once more that any such results might have interest-
ing counterparts in the continuous setting.
(2) Upper Bounds on the Length. Is it possible to obtain upper bounds on
the length of such an arising path? This would be of interest both in the
discrete case but also, for gradient flows, in the continuous setting where it
seems to be related to upper bounds on the size of level sets: this questions
is notoriously difficult: the main result in this direction were given by Dong
[24], Donnelly & Fefferman [25, 26], Hardt & Simon [37] and Lin [56]. A
natural conjecture in convex domains is that the length of the gradient flow
is at most c · diam(Ω). It is less clear what to expect on graphs.
(3) Average Guarantees. Even though the Algorithm can fail, it seems to
fail by very little – moreover, in the rare case when it fails by a lot, this
seems to occur for a very small number of vertices (see §3). Is it possible
to obtain upper bounds for a ‘typical’ pair of points?
(4) Fast Computation. How fast can this algorithm be carried out? In
practice, we are not interested in an arbitrary eigenfunction but the smallest
one. Is it important that it is exactly the smallest eigenfunction or are, in
practice, small errors permissible?
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(5) Symmetrization. The algorithm is not symmetric: the path it finds from
i to j will not necessarily be the reverse path that it produces from j to i.
This allows us to take the better of the two for a more stable estimate.
(6) Effective Variants. Are there effective variations on this idea?
3. Some Examples
We describe some explicit examples. Our observations can be roughly summarized
as follows: (1) on graphs with symmetries or some overall homogeneity (see Fig. 4
for some examples), the algorithm tends to produce the shortest path for all pairs of
vertices, (2) on graphs that have different densities and bottlenecks, the algorithm
still produces the shortest path for most pairs of vertices and very short paths on
averages and (3) employing the trick of computing both the optimal path from i
to j and from j to i leads to near-optimal results. We see (see §3.3 and §3.4.) that
even in graphs designed to break the algorithm, it yields optimal results for ∼ 95%
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of all pairs of vertices; moreover, the average path produced by the spectral method
is merely ∼ 0.1 steps longer than the optimal one.
3.1. Some Examples that work. We emphasize that the algorithm does, on
average, perform extraordinarily well. Even when it seems to fail, it is often on a
few pairs of vertices by a little bit. Before discussing some of its failures, we give a
list of graphs where it perfectly reconstructs all pairwise distances in Fig. 4.
3.2. Erdős-Renyi Graph. We continue with the Erdős-Renyi model G(n, p). We
pick n vertices and connect each of them with likelihood p. Numerical Experiments
for 100 ≤ n ≤ 500 and p ≥ 0.1 seem to indicate that the method performs perfectly
accurately (with high likelihood). Indeed, in this regime we did not find a single
example where it fails (though it does fail by small amounts for small p). This
could be an interesting starting point for a theoretical investigation.
3.3. Deterministic Graphs. One of the more extreme examples of failure of the
algorithm that we found occurs on an amusing graph. On April 1 (!), 1975, a year
before the four color theorem was proven, Martin Gardner announced in his column
in the Scientific American that the ‘most sensational of last year’s discoveries in
pure mathematics was surely the finding of a counterexample to the notorious four-
color-map conjecture’ [33] and provided such a map that is now known as Gardner’s
Map or the April Fools’ map. It contains a pair of vertices such that the path arising
from the Spectral Method requires 22 steps, 5 steps more than the maximum. The
structure of this example is most intriguing, see Figure 5.
Even in this remarkable example, the average case is very good: the path obtained
by the spectral method for a random pair of vertices is only 0.08 steps longer than
the shortest path. We give a second example that occurs on another extreme graph:
the Barnette-Bosak-Lederberg graph [51] which is the smallest known 3-regular
graph without a Hamiltonian cycle, see Fig. 6. The picture that emerges from
these experiments is that counterexamples have to have rather peculiar structure
and even then, the failure happens to be concentrated on relatively few points.
We pose two questions (that are also of interest for non-planar graphs):
(1) Question 1. Are there planar graphs such that, for some pair of vertices
u 6= v, the path produced by the spectral method is c−times as long as the
shortest path for any c > 1?
(2) Question 2. Is there a universal constant c0 such that for all planar
graphs the path produced by the spectral method between a random pair
of vertices is at most c0 −times as long as the shortest path?
4. Proofs
4.1. Proof of Theorem 1.
However, since f was a minimizer, we have to have equality: for all (w1 , w2 ) ∈ E
we have to have
|f (w1 ) − f (w2 )| = ||f (w1 )| − |f (w2 )||.
This, in turn, requires that if (w1 , w2 ) ∈ E are two connected vertices, then f (w1 )
and f (w2 ) have the same sign (though it is conceivable that one of the values is 0).
In particular, if f were to change sign, then, since the Graph remains connected
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after removing i, there would have to be at least one vertex k where f and thus g
vanishes. In summary, we have obtained a function g such that (1)
X X
(g(w1 ) − g(w2 ))2 = (f (w1 ) − f (w2 ))2
(w1 ,w2 )∈E (w1 ,w2 )∈E
is minimal, (2) g ≥ 0 and (3) g vanishes in at least one additional vertex that is not
i. Moreover, again by connectedness, there exists one vertex ` such that g vanishes
in ` and ` has at least one neighbor where g does not vanish. We conclude with one
elementary fact about real numbers: for any {x1 , . . . , xn } ⊂ R and x ∈ R, we have
n n n
!2
X X 1 X
(xk − x)2 ≥ xk − xi
n i=1
k=1 k=1
with equality if and only if x is indeed the mean of the n numbers. This means
that if we replace the value of g in ` by the mean of the neighbors, then the
Dirichlet energy decreases and the L2 −norm increases which is a contradiction to g
minimizing the functional. Therefore f does not change sign and only vanishes in
i. This implies uniqueness: suppose there was a second minimizer, g, distinct from
f . Since both f and g can be interpreted as eigenvectors of a symmetric matrix,
we know that they can be chosen to be orthogonal. However, since a minimizer
does not change sign, the inner product of any two minimizers cannot vanish which
establishes uniqueness. It remains to show that the algorithm cannot get ‘stuck’.
Let v 6= i be a vertex and suppose the algorithm finds itself in v. We take the v−th
row of the equation Li f = µf and obtain that
X X
0 < µf (v) = (f (v) − f (w)) = deg(v)f (v) − f (w).
(v,w)∈E (v,w)∈E
Therefore
X
f (w) < deg(v)f (v)
(v,w)∈E
and there exists at least one neighbor of v where f assumes a smaller value. This
establishes the desired result.
G2
G1 i
We know from the proof of Theorem 1 that φ does not change sign and can w.l.o.g.
be taken positive. Since the graph is a tree, we know that removal of the vertex
i leads to two connected graphs G1 and G2 (one of them might be empty if i is a
leaf). It remains to prove the desired result for G1 and G2 separately. We instead
argue with a separation trick (see Fig. 8): we mirror one of the graphs and define
its values at a mirrored vertex to be the negative value of φ at the original vertex
and call the arising function ψ. We see that ψ satisfies (D − A)ψ = µ2 ψ since
the equation is valid on each side of the graph and is easily verified in i since
ψ(i) = 0. By fairly standard arguments, we obtain that ψ is the smallest nontrivial
eigenfunction on the new graph and we then obtained the desired property from a
result of Lefevre [53] (see als Gernandt & Pade [34]). An alternative proof could be
given as follows: we can interpret the function φ on G2 ∪ {i} as a function satisfying
(D − A)φ = µ2 φ in all vertices except i. This allows for φ to be reinterpreted as
the expected outcome of a game that was described by Lederman and the author
in [52]. The game is obviously strictly monotonic in the distance from i and this
yields the desired result. We refer to [52] for the details.
∂Ωn
x0
∂Ω0
which case it is at the boundary and we stop) or it is another critical point: in that
case, we use the local saddle structure, rotate the vector by 90◦ and continue the
gradient ascent until we eventually hit a maximum on the boundary. These flows
can never hit ∂Ω0 because the function is increasing along them – this means they
cut the domain into two parts, one containing ∂Ω0 , the other only containing ∂Ωn .
We pick the second part, Ω2 , and note that ∂u/∂n = 0 on the entire domain: on
∂Ωn this is merely the imposed boundary condition, on the part given by γ1 and
γ2 , this follows from the fact that the tangent line of γi is parallel to the gradient
of u in the point. Then, however,
Z Z
∂u
0= dσ = ∆u < 0
∂Ω2 ∂n Ω2
which is a contradiction. The same argument could have also been applied if the
gradient ascent curves were to intersect themselves or each other. It remains to
show that the Gradient flow converges to Ω0 . We pick a point x0 and start the
gradient flow γ1 and, simultaneously, the gradient ascent flow γ2 . We know that γ2
terminates in a critical point and these are all on the boundary. If γ1 were to not
terminate in ∂Ω0 but on ∂Ωn , then we could again extract a domain for which u
has Neumann boundary conditions and obtain a contradiction. This concludes the
argument.
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