Source-linked AI summary
Hierarchical Clustering better than Average-Linkage
Moses Charikar, Vaggos Chatziafratis, Rad Niazadeh
TL;DR
The paper asks whether two objectives proposed to explain Average-Linkage provide guarantees beyond random performance and worst-case limits. It analyzes these objectives with SDP-based and related algorithms, proving strictly better approximation guarantees. The results also motivate reconsidering whether the objectives adequately measure Average-Linkage’s quality.
Problem
The paper studies whether objective functions for HC can explain Average-Linkage when the objectives are NP-hard to optimize and their known guarantees match random solutions.
Source: §1 · pp. 1–3Method
The paper combines tight counterexamples with algorithms using semidefinite programming, spreading constraints, hyperplane rounding, random refinement, greedy peeling, and max-cut.
Source: §1 · pp. 2–3, §4.1 · pp. 6–7Results
Average-Linkage is limited to 1/3 and 2/3 in the worst case, while the paper achieves 1/3 + ϵ and 2/3 + δ for constants ϵ, δ > 0.
Source: §1 · pp. 2–3Takeaways & Limitations
The results show that both objectives can be beaten algorithmically, while also raising whether they are the right measures of Average-Linkage performance.
Source: §1 · p. 3, §6 · p. 15The paper concludes that further research is needed to identify HC objectives that yield high-quality outcomes and distinguish Average-Linkage more effectively.
Source: §1 · p. 3, §6 · p. 15
Abstract
from arXiv · showhide
Hierarchical Clustering (HC) is a widely studied problem in exploratory data analysis, usually tackled by simple agglomerative procedures like average-linkage, single-linkage or complete-linkage. In this paper we focus on two objectives, introduced recently to give insight into the performance of average-linkage clustering: a similarity based HC objective proposed by [Moseley and Wang, 2017] and a dissimilarity based HC objective proposed by [Cohen-Addad et al., 2018]. In both cases, we present tight counterexamples showing that average-linkage cannot obtain better than 1/3 and 2/3 approximations respectively (in the worst-case), settling an open question raised in [Moseley and Wang, 2017]. This matches the approximation ratio of a random solution, raising a natural question: can we beat average-linkage for these objectives? We answer this in the affirmative, giving two new algorithms based on semidefinite programming with provably better guarantees.
1 Introduction
HC is widely used but historically lacked objective-based guarantees; this paper studies two objectives for explaining Average-Linkage and shows both its worst-case limits and ways to improve on them.
1 Introduction
- HC represents datapoints as leaves in a dendrogram, providing information across granularities without requiring a fixed number of clusters.Average-Linkage is a widely used agglomerative procedure.Source: §1 · p. 1
- Dasgupta’s similarity objective initiated objective-driven analysis of HC by favoring heavy edges being cut deeper in the tree.Moseley and Wang introduced a related objective, while Cohen-Addad et al. studied a dissimilarity-based maximization variant.Source: §1 · pp. 1–2
- Average-Linkage achieves at most 1/3 for the Moseley–Wang similarity objective and at most 2/3 for the Cohen-Addad et al. dissimilarity objective in the worst case.These guarantees match those of a random solution.Source: §1 · p. 2
- The matching random-solution ratios raise whether these objectives are approximation resistant or whether algorithms can strictly outperform Average-Linkage.The question is motivated by assessing how well the objectives explain Average-Linkage’s performance.Source: §1 · pp. 2–3
- The paper gives a 1/3 + ϵ approximation for the similarity objective and a 2/3 + δ approximation for the dissimilarity objective, for constants ϵ, δ > 0.The similarity algorithm uses an SDP-guided initial partition followed by random refinement; the dissimilarity algorithm uses greedy peeling followed by max-cut.Source: §1 · p. 3
- The results also question whether these objectives are the right measures for evaluating Average-Linkage clustering.The authors frame objective design as an unresolved issue requiring further research.Source: §1 · p. 3
2 Notations and Basics
The paper distinguishes Average-Linkage’s objective values from its produced trees and names the similarity- and dissimilarity-based HC objectives.
2 Notations and Basics
- OPT denotes either the optimal hierarchical-clustering solution or its objective value, while Average-Linkage denotes both its tree and objective value.For similarity weights, Average-Linkage maximizes average similarity; for dissimilarity weights, it minimizes average dissimilarity.Source: §2 · pp. 3–4
- The paper calls HC-OBJ-2 similarity-HC and HC-OBJ-3 dissimilarity-HC, and uses W for the graph’s total edge weight.These conventions support the later approximation analyses.Source: §2 · p. 4
3 Tight Instances for Average Linkage Analysis
The paper constructs tight instances showing that average-linkage achieves only 1/3 for similarity-HC and 2/3 for dissimilarity-HC in the worst case.
3 Tight Instances for Average Linkage Analysis
- The two constructions establish that the previously known average-linkage bounds are tight for both hierarchical-clustering objectives.The section explicitly presents these examples as constructions proving tightness of the known performance bounds.Source: §3 · p. 4, §3.1 · p. 5, §3.2 · p. 5
3.1 Average-Linkage for similarity-HC is a tight 1 3-approximation
- The similarity-HC instance uses n^1/3 vertical cliques of size n^2/3 and n^2/3 horizontal cliques of size n^1/3, with horizontal edges weighted 1 + ϵ.The construction augments unit-weight vertical cliques with same-order horizontal cliques whose slightly larger weights steer average-linkage toward the unfavorable decomposition.Source: §3.1 · pp. 4–5
- 1/3 + o(1) is a tight approximation ratio for average-linkage on the similarity-HC objective.The construction makes most weight lie in subclusters that an optimal tree merges low, while average-linkage cuts it higher, reducing the HC-OBJ-2 multiplier.Source: §3.1 · pp. 4–5
3.2 Average-Linkage for dissimilarity-HC is a tight 2 3-approximation
- 2/3 + o(1) is a tight approximation ratio for average-linkage on the dissimilarity-HC objective.The tight instance starts from a complete bipartite graph with unit weights and removes a perfect matching.Source: §3.2 · p. 5
4 Beating Average-Linkage for Similarity-HC
The paper develops an SDP-based algorithm for similarity-HC that uses hyperplane rounding for an initial cut and random recursive cuts afterward. It proves a 0.336379 approximation, exceeding average-linkage’s 1/3 ratio.
4.1 SDP relaxation for similarity-HC
- The similarity-HC method formulates an SDP relaxation and uses vector geometry with spreading constraints to guide a hyperplane-rounded initial partition.The spreading constraints force vectors to remain separated, while monotonicity constraints preserve separation across levels.Source: §4 · p. 5, §4.1 · pp. 6–7
4.2 Combining SDP rounding and random to beat average-linkage
- After the initial SDP-based cut, the algorithm recursively applies uniformly random cuts to each resulting piece until singleton clusters are reached.Random-always provides the comparison algorithm, while SDP-first-then-random uses the SDP only to choose the first partition.Source: §4.2 · p. 7
- 0.336379 > 1/3 is the approximation guarantee achieved by the better of SDP-first-then-random and random-always algorithms for similarity-HC.The guarantee is obtained by balancing two cases according to the optimum value and setting ϵ2 ≈ 0.139.Source: §4.2 · p. 7, §4.3 · p. 11
4.3 Analysis (Proof of Theorem 4.2)
- The analysis decomposes the objective into edge–vertex triplets and derives explicit separation probabilities from the angles between SDP vectors.A closed-form expression for P[Ei,j|k] avoids the direct three-dimensional geometric calculation and supports the approximation bound.Source: §4.3 · pp. 8–9
5 Beating Average-Linkage for Dissimilarity-HC
For dissimilarity-HC, average-linkage and random cutting cannot beat a 2/3 approximation in the worst case, but a peel-off-first, max-cut-next algorithm improves this factor to 0.667078. Its proof combines peeling high-weighted-degree vertices, max-cutting the remaining graph, and a two-case analysis against the optimum tree.
5 Beating Average-Linkage for Dissimilarity-HC
- 2/3: average-linkage and random always fail to obtain a better worst-case approximation factor for dissimilarity-HC.Random always has objective value 2/3 nW on every instance, while a bipartite graph can have optimum nW.Source: §5 · p. 11
5.1 The “Peel-off First, Max-cut Next” Algorithm
- Peeling high weighted-degree vertices before applying max-cut avoids instances where max-cut splits a small dense clique into nearly symmetric halves.The algorithm then recursively completes the two sides with random trees.Source: §5.1 · p. 11
- 0.667078 > 2/3: combining “peel-off first, max-cut next” with “random always” yields an α-approximation for dissimilarity-HC.The guarantee is obtained for a suitable parameter γ.Source: §5.1 · p. 11
- The algorithm peels vertices, applies Goemans-Williamson max-cut to the remainder, and uses random always within the resulting two pieces.The peeling phase adds singleton cuts; the max-cut phase supplies the top-level partition.Source: §5.1 · p. 12
5.2 Analysis (Proof of Theorem 5.1)
- The proof splits into OPT below or above (1−ϵ)nW, using random always in the low-OPT case and structural charging in the high-OPT case.In the high-OPT case, the optimum tree is decomposed into layered clusters and the algorithm’s contributions are charged to red and blue edge classes.Source: §5.2 · p. 12
- In the charging analysis, peeling controls red-edge contributions, while max-cut controls blue cut contributions and at least half of the blue-chain contribution.Blue-chain contributions are small because they involve low-degree vertices in small pieces.Source: §5.2 · pp. 13–14
- The proof bounds the remaining internal weights, incorporates the ρGW ≈ 0.878 max-cut guarantee, and optimizes γ, ϵ, and δ to obtain Theorem 5.1.The final comparison balances the guarantees from the two cases.Source: §5.2 · pp. 14–15
6 Conclusion - Discussion
The conclusion presents the algorithms as improving on Average-Linkage while emphasizing that identifying a genuinely good hierarchical-clustering objective remains unresolved. It argues that objective design must better distinguish useful tree structures and real-world conditions.
6 Conclusion - Discussion
- The paper designs hierarchical-clustering algorithms that outperform Average-Linkage and frames this as progress toward understanding suitable HC objectives.The authors state that further research is needed before objectives consistently yield high-quality outcomes.Source: §6 · p. 15
- A central limitation is that every edge is eventually cut in a hierarchical tree, making the choice of cut penalties decisive but difficult to design.The paper notes that current objectives may not fully explain when Average-Linkage performs well in practice.Source: §6 · p. 15
A Deferred Proofs of Section 3
The deferred proofs establish worst-case behavior for Average-Linkage through explicit graph constructions. They compare favorable optimum trees with the much smaller values produced by Average-Linkage under carefully chosen weights and ties.
A Deferred Proofs of Section 3
- A bottom-up strategy that first merges edges inside K_{n^(2/3)} cliques achieves an HC value close to nW, lower-bounding the optimum.The construction relies on many clique edges receiving large non-leaf multipliers.Source: A Deferred Proofs of Section 3 · p. 17
- Average-Linkage can be forced to merge K_{n^(1/3)} structures first, making its initial contribution O(n^(7/3)) before merging weighted supernodes.The later supernode calculation is bounded by 1/6 n^(8/3) + O(n^(7/3)).Source: A Deferred Proofs of Section 3 · pp. 17–18
- A single cut (L, R) can collect all weight and give the optimum value nW in the constructed instance.The remainder of the tree can then be completed arbitrarily.Source: A Deferred Proofs of Section 3 · p. 18
- With many zero-weight edges, Average-Linkage can merge perfect-matching endpoints first; the resulting supernode calculation yields a value based on the 2/3 factor.Small positive perturbations can break ties without changing the overall outcome.Source: A Deferred Proofs of Section 3 · p. 18
B Deferred Proofs of Section 4
The deferred proofs analyze SDP-based lower bounds through symmetry and concavity, then optimize approximation parameters. These calculations produce the final factor for the corresponding algorithmic guarantee.
B Deferred Proofs of Section 4
- The lower-bound program decomposes over angle variables, allowing symmetry to reduce the analysis to a simpler minimization problem.The proof studies the variables associated with two distinguished vertices.Source: B Deferred Proofs of Section 4 · p. 18
- Concavity of cosine forces the first constraint to be tight and implies that an optimum has nearly all relevant angles equal to π/2.Otherwise, redistributing angle mass would create slack while preserving or improving the objective.Source: B Deferred Proofs of Section 4 · p. 18
- The resulting counting argument lower-bounds the optimal value of P_lower-bound using the number of angles equal to π/2.The proof concludes with a bound involving n−2.Source: B Deferred Proofs of Section 4 · p. 18
- The final approximation factor is obtained by balancing two cases, solving for one parameter as a function of another, and numerically maximizing the resulting expression.The function peaks around ϵ_2 ≈ 0.139.Source: B Deferred Proofs of Section 4 · p. 19
C Deferred Proofs of Section 5
The deferred proofs combine bounds from multiple cases and optimize the parameters governing the final guarantee. The optimization yields γ ≈ 11.1 and ϵ ≈ 0.000612.
- Claim 1 bounds contributions from subtrees rooted at L_k and R_k using their sizes being at most (1−δ)n.Source: C Deferred Proofs of Section 5 · p. 19
- The proof combines ALG_peel and ALG_cut using bounds from Lemmas 5.2 and 5.4.Source: C Deferred Proofs of Section 5 · p. 19
- The final parameter choice balances the factors arising from Case 1 and Case 2.Source: C Deferred Proofs of Section 5 · p. 19
- γ ≈ 11.1 and ϵ ≈ 0.000612 are the final optimal parameter values obtained by maximizing over γ.The negative solution is discarded because √ϵ ≥ 0.Source: C Deferred Proofs of Section 5 · p. 20