Multi-way spectral partitioning and higher-order Cheeger inequalities
James R. Lee, Shayan Oveis Gharan, Luca Trevisan
Introduction
Cheeger’s inequality for graphs [AM85, Alo86, SJ89] yields a robust version of this fact for . To state it, we introduce some notation. For any subset , define the expansion of to be the quantity
where the minimum is over all collections of non-empty, disjoint subsets . It is an easily verifiable fact that if and only if . Cheeger’s inequality offers the following quantitative connection betwen and ,
We remark that the left-hand side follows easily, and the non-trivial content of the connection is contained in the right-hand side inequality.
The discrete version of Cheeger’s inequality is proved via a simple spectral partitioning algorithm. Besides being an important theoretical tool, since their inception spectral methods have been used for solving a wide range of optimization problems, from graph coloring [AG83, AK97] to image segmentation [SM00, TM06] to web search [Kle99, BP98].
Higher-order Cheeger inequalities. In general, we study higher-order analogs of (1), and develop new multi-way spectral partitioning algorithms. A special case of one of our main theorems (see Section 3.4 and Theorem 4.9) follows. It offers a strong quantitative version of the fact that .
This resolves a conjecture of Miclo [Mic08]; see also [DJM12], where some special cases are considered. Moreover, Miclo [Mic13] has used Theorem 1.1 as the key step in establishing a 40-year-old conjecture of Simon and Hegh-Krohn [SHK72]. We discuss this connection briefly at the end of the present section.
We remark that from Theorem 1.1, it is easy to find a partition of the vertex set into non-empty pieces such that every piece in the partition has expansion (see Theorem 3.8). It is known that a dependence on in the right-hand side of (2) is necessary; see Section 4.4.
Finding many sets and small-set expansion. If one is interested in finding slightly fewer sets, our approach performs significantly better.
If is planar then, the bound improves to,
More generally, if excludes as a minor, then
We remark that the bound (3) holds with replaced by for any , but where the leading constant now becomes ; see Corollary 4.2. Louis, Raghavendra, Tetali and Vempala [LRTV12] have independently proved a somewhat weaker version of the bound (3), using rather different techniques. Specifically, they show that there exists an absolute constant such that .
In particular, Theorem 1.2 has applications to the small-set expansion problem in graphs, which is fundamentally connected to the Unique Games Conjecture and many other problems in approximation algorithms (see [RS10, RST10]). To capture the expansion of small sets in graphs, we define the value,
Arora, Barak and Steurer [ABS10] prove the bound,
where . Note that for and , one achieves an upper bound of , and this small loss in the expansion constant is crucial for applications to approximating small-set expansion. This was improved further in Steurer’s thesis [Ste10] by showing that for every ,
Such a bound is also obtained in the works [OT12, OW12]. These bounds work fairly well for large values of , but give less satisfactory results when is smaller.
Louis, Raghavendra, Tetali and Vempala [LRTV11] proved that
and conjectured that could be replaced by . Theorem 1.2 immediately yields,
resolving their conjecture up to a factor of 2 (and actually, as discussed earlier, up to a factor of for every ).
Moreover, (5) is quantitatively optimal for the noisy hypercube graphs (see Section 4.4), yielding an optimal connection between the th Laplacian eigenvalue and expansion of sets of size .
It is interesting to note that in [KLPT11], it is shown that for -vertex, bounded-degree planar graphs, one has . Thus the spectral algorithm guaranteeing (4) partitions such a planar graph into disjoint pieces, each of expansion . This is tight, up to a constant factor, as one can easily see for an planar grid, in which case the set of size with minimal expansion is a subgrid.
Large gaps in the spectrum. We recall that in the practice of spectral clustering, it is often observed that the correct number of clusters is indicated by a large gap between adjacent eigenvalues, i.e., if , then one expects the input graph can be more easily partitioned into pieces than . In Section 4.3, we prove a result supporting this phenomenon.
The key point is that the implicit constant in the upper bound is independent of , unlike the bound (3).
The relation to hyperboundedness and spectral gaps of Markov operators. Consider a probability space . A self-adjoint operator is said to be Markovian if, whenever , we have and . One says that is ergodic if implies that is a multiple of .
Such an operator may not have any eigenvectors other than , but one defines its spectrum to be the set of such that fails to be invertible. An ergodic Markov operator is said to have a spectral gap if there is a such that . Finally, say that is hyperbounded if there exists a such that
In [Mic13], the following theorem is proved.
If a self-adjoint, ergodic Markov operator is hyperbounded, then it has a spectral gap.
This was conjectured by Simon and Hegh-Krohn [SHK72] for the special case of Markov semi-groups. They actually indicated that the conjecture was probably false even in this specialized setting. Miclo uses Theorem 1.1 as a fundamental step in the proof of Theorem 1.4. The basic idea is to relate the operator norm to expansion of small sets in a graph (or, more generally, in the underlying probability space ). Then one uses Theorem 1.1 to relate expansion of small sets to the spectrum of the operator. One can consult [BBH+12] for a detailed discussion of operator norms and small-set expansion from a computational perspective.
In fact, in the same paper that Miclo conjectured the validity of Theorem 1.1, he conjectured that finding such a family should be possible [Mic08, DJM12]. We resolve this conjecture and prove the following theorem in Section 3.4.
To prove this, we start with an orthonormal system of eigenfunctions of the Laplacian,
Observe that .
On the other hand, it straightforward to check that,
A natural approach would be to find (at least) such directions, and then define,
Unfortunately, this sharp cutoff could make the value
much larger than the corresponding quantity for . Thus we must pursue a smoother approach for localizing .
The radial projection distance. Our method of smooth localization depends crucially on defining a proper notion of distance between vertices, based on the map . We would like to think of two vertices as close if their Euclidean distance is small compared to their norms . To capture this, we define the radial projection distance via,
The isotropy condition (7) gives us the following spreading property of : If , then
The notion of “close to the boundary” depends on the dimension , and thus the smoothness of our maps will degrade as the dimension grows. For many families of graphs, however, we can appeal to special properties of their intrinsic geometry.
Exploiting the intrinsic geometry. It is well-known that the shortest-path metric on a planar graph has many nice properties, but is, in general, not a shortest-path geometry. Thus it is initially unclear how one might prove a bound like (4) using our approach. The answer is to combine information from the spectral embedding with the intrinsic geometry of the graph.
We define as the shortest-path pseudometric on , where the length of an edge is precisely . In Sections 3.2 and 3.3, we show that it is possible to do the partitioning in the metric , and thus for planar graphs (and other generalizations), we are able to achieve dimension-independent bounds in Theorem 1.2.
This technique also addresses a common shortcoming of spectral methods: The spectral embedding can lose auxiliary information about the input data that could help with clustering. Our “hybrid” technique for planar graphs suggests that such information (in this case, planarity) can be fruitfully combined with the spectral computations.
Dimension reduction. In order to obtain the tight bound (3) for general graphs, we have to improve the quantitative parameters of our construction. The main loss in our preceding construction comes from the ambient dimension .
A new multi-way Cheeger inequality. Dimension reduction only yields a loss of in (3). In order to get the bound down to , we abandon our goal of localizing eigenfunctions. In Section 4.2, we give a new multi-way Cheeger rounding algorithm that combines random partitions of the radial projection distance , and random thresholding based on (as in Cheeger’s inequality). By analyzing these two processes simultaneously, we are able to achieve (3). In addition, we use this method to achieve the stated bound in (2).
2 A general algorithm
Find disjoint subsets using the values .
Sort the vertices so that
Output the least-expanding set among the sets of the form,
We remark that partitioning the normalized vectors as in step (i) is used in the approach of [NJW02], but not in some other methods of spectral partitioning (see [VM03] for alternatives). Unlike [NJW02], our spectral partitioning algorithm does not use directly the eigenvectors of the normalized Laplacian; the vectors we use are multiplied by where is the diagonal degree matrix (see Section 2.1). In other words, we use the right eigenvectors of the associated random walk matrix. This is similar to [SM00], except that they do not normalize the spectral embedding as in our step (i).
Preliminaries
Let be a finite, undirected graph, with positive weights on the edges. For a pair of vertices , we sometimes write for . For a subset of vertices , we write . For a subset of edges , we write . We use to denote . We extend the weight to vertices by defining, for a single vertex , . We can think of as the weighted degree of vertex . We will assume throughout that for every . For , we write .
For two expressions and , we write for and for the conjunction of and .
Observe that for an unweighted, -regular graph, we have .
where the latter value is referred to as the Rayleigh quotient of (with respect to ).
In particular, one sees that is a positive-definite operator with eigenvalues
For a connected graph, the first eigenvalue corresponds to the eigenfunctions , where is any non-zero constant function. Furthermore, by standard variational principles,
In particular, one can use (9) to easily prove the left-hand side of (2) using the following standard observation.
Consider any . Then, for any , we have
using the fact the ’s are disjointly supported. Therefore,
Applying the preceding lemma with as the indicator functions of disjoint sets yields the left-hand side of (2), observing that .
2 Cheeger’s inequality with Dirichlet boundary conditions
Given a subset by, we denote the Dirichlet conductance of by,
For convenience, we take . If is a Hilbert space, we extend the notion of Rayleigh quotients to arbitrary maps via,
Many variants of the following lemma are known; see, e.g. [Chu96].
implying there exists a for which satisfies the statement of the lemma. ∎
3 Random partitions of metric spaces
We now discuss some of the theory of random partitions of metric spaces. Let be a finite metric space. We use to denote the closed ball of radius about . We will write a partition of as a function mapping a point to the unique set in that contains .
A random partition is -padded if is -bounded, and for every , we have
A random partition is -Lipschitz if is -bounded, and, for every pair , we have
The next result is proved in [CCG+98]. See also [LN05, Lem 3.16].
A partitioning theorem for excluded-minor graphs is presented in [KPR93], with an improved quantitative dependence coming from [FT03].
If is the shortest-path metric on a graph excluding as a minor, then for every and , admits a -padded random partition and a -Lipschitz random partition.
Finally, for the special case of bounded-genus graphs, a better bound is known [LS10].
If is the shortest-path metric on a graph of genus , for every and , admits a -padded random partition, and a -Lipschitz random partition.
Localizing eigenfunctions
Otherwise, if , we put , else .
First, we record the following simple fact.
2 Smooth localization
For future applications, it will be useful to consider the largest metric on which agrees with on edges. This is the induced shortest-path (extended pesudo-) metric on , where the length of an edge is given by . We will use the notation for this metric. Observe that since is a pseudo-metric. We will write
for the open -neighborhood of in the metric .
if , then .
In particular, observe that is -Lipschitz with respect to , so since and agree on edges, we have for every ,
Finally, set .
Properties (i) and (ii) are immediate from the definition, thus we turn to property (iii). Fix . We have,
Since , the first term is at most . Now, using (12), and Lemma 3.1, we have
Additionally property (i) implies that for each ,
and by property (iii) of Lemma 3.3, and since the supports are disjoint,
In particular, if we reorder the maps so that , then the preceding two inequalities imply (14).
3 Random partitioning
Then there exist r disjoint subsets such that for each , we have , and for every ,
Furthermore, by the spreading property of , we have, for each ,
because the first pieces will have total mass at most
for all , leaving at least mass left over from (15). ∎
We mention a representative corollary that follows from the conjunction of Lemmas 3.4 and 3.5.
In this case, we set in our application of Lemma 3.5. After extracting at least sets, we apply Lemma 3.4, but only take the first functions . ∎
Note, in particular, that we can apply the preceding corollary with to obtain .
4 Higher-order Cheeger inequalities
We now present some theorems applying our machinery to embeddings which come from the eigenfunctions of .
where is the th smallest eigenvalue of . If excludes as a minor, then the bound improves to
and if has genus at most , then one gets
Choose so that . In this case, Lemma 3.2 implies that is -spreading. Now, for general graphs, since is Euclidean, we can use Theorem 2.3 applied to to achieve in the assumptions of Corollary 3.6. Observe that , so that , meaning that we can satisfy both conditions (i) and (ii), verifying (16).
We remark that in Section 4.1, we will give an alternate bound of for (16), which is better for moderate values of .
Finally, we can use the preceding theorems in conjunction with Lemma 2.2 to produce many non-expanding sets.
(Non-expanding -partition) For any weighted graph , there exists a partition such that
where is the th smallest eigenvalue of . If excludes as a minor, then the bound improves to
and if has genus at most , then one gets
Now reorder the sets so that , and replace with the larger set so that forms a partition. One can now easily check that
A similar argument yields the other two bounds. ∎
Using Theorem 3.7 in conjunction with Lemma 2.2 again yields the following.
For every and any weighted graph , there exist disjoint sets such that,
where is the th smallest eigenvalue of . If excludes as a minor, then the bound improves to
and if has genus at most , then one gets
We remark that the bound (19) will be improved, in various ways, in Section 4.
Improved quantitative bounds
A main result of this section is the following theorem.
For any weighted graph , , and , there exist disjoint sets with
where is the th smallest eigenvalue of .
One should observe that in Theorems 3.7 and 3.9, the loss of in (16) and in (19) comes from the dimension of the eigenfunction embedding. To achieve somewhat better bounds for general graphs, we now show how to drastically reduce the dimension while preserving the Rayleigh quotient and spreading properties.
and, for every ,
with probability at least , the map satisfies both of the following conditions:
, and
is -spreading with respect to .
Let . We may assume that . Choose large enough such that . Let .
First, observe that (20) combined with Markov’s inequality implies that the following holds with probability at least ,
Therefore, by Markov’s inequality, with probability at least , we have
In particular, with probability at least , we have
Combining our estimates for (23) and (26), we conclude that (i) holds with probability at least . Thus we can finish by showing that (ii) holds with probability at least . We first consider property (ii) for subsets of .
and let be the random variable indicating that does not occur.
We claim that for , occurs if , and
where we have used the fact that is a linear operator. The other direction can be proved similarly.
By linearity of expectation, and Markov’s inequality, we conclude that
Fix a vertex . Since for every , we have , , and recalling that , it must be that . On the other hand, we have
Thus under our assumption on the existence of and again using , we have
where the last inequality follows from and . Combining this with (27) yields the claim. ∎
The preceding claim guarantees a spreading property for subsets . Finally, we need to handle points outside .
With probability at least , we have
Let be the event that , and let . Then,
Using the inequality, valid for all non-negative ,
where we have used (22) and the initial choice of sufficiently large.
It follows from this, (29), and (24), that
To conclude the proof of the lemma, we need to verify that (ii) holds with probability at least . But observe that if (26) holds, then the conclusion of the preceding claim is,
Combining this with Claim 4.4 shows that with probability at least , is -spreading, completing the proof. ∎
where is the th smallest eigenvalue of .
We may clearly assume that . Choose so that . In this case, for some choice of
2 A multi-way Cheeger inequality
Note that Theorem 4.6 combined with Lemma 2.2 is still not strong enough to prove Theorem 4.1. To do that, we need to combine Lemma 4.3 with a strong Cheeger inequality for Lipschitz partitions.
Since the statement of the lemma is homogeneous in , we may assume that . By Theorem 2.4, there exists an -bounded random partition satisfying, for every ,
Let , where we recall that is a random number.
Next, if with , then we have
where in the final line we have used Lemma 3.1.
Thus, we can use Cauchy-Schwarz to write,
Since , we may assume that
To see this, suppose we start with the family and iteratively merge the two sets for which is smallest subject to the constraint that no set has a sum which exceeds . At the end of this process, let represent the sets constructed that satisfy (35). We will have
where in the second inequality we have used (34).
We can already use this to improve (19) in Theorem 3.9.
For every and any weighted graph , there exist disjoint, non-empty sets such that,
where is the th smallest eigenvalue of .
Observe that setting in the preceding theorem yields Theorem 1.1.
And now we can complete the proof of Theorem 4.1.
Let . Choose so that . In this case, for some choice of
3 Gaps in the spectrum
We now show that if there are significant gaps in the spectrum of , one can obtain a higher-order Cheeger inequality with no dependence on .
where is the th smallest eigenvalue of .
is -spreading for some and ,
.
Since the radial projection distance is Euclidean, we can use Theorem 2.3 to achieve a -padded random partition of with . For a subset , let
where we define for any .
In this case it must be that for and , we have
Since is -spreading, for any , we have
This is because the first pieces will have total mass at most
leaving at least left over from (38).
for some constant , contradicting our initial assumption (for ). ∎
Lemma 2.2 immediately yields the following corollary.
Under the assumptions of Theorem 4.10, there are at least non-empty, disjoint sets such that .
Let us conclude this section by describing the consequences of the above results for spectral clustering algorithms. The proof of Theorem 4.10 aligns with the folklore belief that, in spectral clustering, the number of clusters is best chosen based on a large gap in the spectrum of the underlying graph. Additionally, the proof provides a justification for the use of the -means heuristic. Observe that in Case I (the only possible case under the assumptions of the theorem), the support of each of the functions is a ball of radius at most with respect to the metric . In other words, the vertices are concentrated in balls of small radius after the dimension reduction step. It seems plausible that the -means heuristic could successfully locate a good partition of the vertices in such a scenario.
4 Noisy hypercubes
where .
Let . First, the weighted degree of every vertex is
Thus . We will now show that for , one has , completing the proof of the theorem.
For , the Bonami-Beckner operator is defined as
The Bonami-Beckner inequality [Bon70, Bec75] states that
Let be the normalized adjacency matrix of , i.e. It follows from an elementary calculation that is an eigenvector of with eigenvalue , i.e.
For , let be the indicator function of . Therefore,
where the one last inequality follows from (39).
Now, observe that for any , we have
where we have written for edges with both endpoints in .
Hence, for any subset of size , we have
where the last inequality follows by the choice of . ∎
The preceding theorem shows that even if we only want to find a set of size , then for values of , we can still only achieve a bound of the form . The state of affairs for is a fascinating open question.
Conclusion
In Section 1.2, we gave a generic outline of our spectral partitioning algorithm. We remark that our instantiations of this algorithm are simple to describe. As an example, suppose we are given a weighted graph Let be the normalized Laplacian matrix of where is the identity matrix, is the adjacency matrix and is the diagonal matrix of vertex degrees. We want to find disjoint sets, each of expansion where is the smallest eigenvalue of (recall Theorem 1.2). We specify a complete randomized algorithm.
Here, represents the closed Euclidean ball of radius about , and it is easy to see that this induces a partition of in a finite number of steps with probability one. In other words, we assign each vertex to the first point such that
Let be this partition.
(Intuitively, we form sets from our total of sets by balancing the -value among them.) At the end, we are left with a partition of into sets.
(Cheeger Sweep) To complete the algorithm, for each , we choose a value such that
has the least expansion. We then output of the sets that have the smallest expansion.
We emphasize that one can run the above algorithm using any set of orthonormal vectors with small Rayleigh quotient. One can employ the recent developments on fast Laplacian solvers to find such vectors in near-linear time [ST04, KMP11, KOSZ13, Vis13]. Given orthonormal vectors , the above algorithms runs in time . In particular every step except random partitioning runs in nearly linear time, and the random partitioning step runs in time .
2 Future directions
The preceding algorithm suggests some natural questions. First, does dimension reduction help to improve the quality of clusterings in practice? For instance, if one runs the -means algorithm (as in [NJW02]) on the randomly projected points, does it yield better results? Another interesting question is whether, at least in certain circumstances, the quality of the -means clustering can be rigorously analyzed when used in place of our random geometric partitioning.
It would be interesting to find the right asymptotic dependence on in Theorem 1.1. Recall that in Theorems 1.2 and 4.12, we showed that if one is interested in finding, say, disjoint non-expanding sets, then the right dependence on is .
One might hope that it is possible to achieve . Such a bound is impossible if we instead try to find a -partitioning of our graph. There are simple family of graphs where the sparsity of the best -partitioning has a polynomial dependence on [LRTV12].