Research map / Learning theory and algorithms / Clustering
Modified K-means Algorithm with Local Optimality Guarantees
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Shows that K-means need not converge to a locally optimal solution (via a 1-D counterexample) and proposes LO-K-means, which adds C-local and D-local checks after convergence while keeping K-means per-iteration complexity.
Problem
K-means (Lloyd's algorithm) is widely assumed to converge to a locally optimal solution, but this local optimality has not been rigorously established, especially for weighted K-means with Bregman divergences.
Approach
Derives necessary and sufficient conditions for C-local and D-local optimality of K-means solutions under Bregman divergences, and adds post-convergence checks (C-LO, D-LO, Min-D-LO) that move a point to strictly decrease the loss whenever the converged solution is not locally optimal, so the algorithm ends at a C-local or D-local solution at the same per-iteration complexity.
Measured effects reported in the paper
| What was changed | Where | Measured | Effect |
|---|---|---|---|
| Add D-local search to K-means++ | K-means++ · News20, K=10 | clustering loss: 697,527 ± 32,211 -> 634,216 ± 5,596 | Helped |
| Use minimum-loss D-local move instead of the first improving D-local move (ablation) | D-LO · News20, K=10 | computation time: 6.18 -> 2.55 | Helped |
| Use minimum-loss D-local move instead of the first improving D-local move (ablation) | D-LO · News20, K=10 | clustering loss: 634,216 ± 5,596 -> 634,293 ± 6,477 | No clear effect |
| Add continuous-locality check after K-means convergence (ablation) | K-means · real-world datasets | clustering loss | No clear effect |
| Add discrete-locality search after K-means convergence | K-means · real-world datasets | clustering loss | Helped |
Surprising findings
- The widely cited K-means convergence-to-local-optimum claim is false: a simple 1-D counterexample shows K-means can stop at a non-locally-optimal solution.
- On real-world datasets, K-means almost always converges to a C-local solution, so C-LO rarely changes the output.
Limitations
- Improvements over K-means appear mainly for D-local variants, which may need many more iterations (e.g., News20 K=25 D-LO takes over 3000 iterations).
- Experiments are limited to squared Euclidean and a few Bregman divergences on small benchmarks, with synthetic data restricted to integer grids.
Experimental setup
Datasets: Iris Wine Quality News20 synthetic integer points in [1,10]^d
Benchmarks: Iris Wine Quality News20
Metrics: clustering loss computation time number of iterations improvement ratio
Baselines: K-means K-means++ D-LO-P&X
Builds on: Lloyd's algorithm K-means++ Bregman divergence
Closest papers by meaning
- Clustering with Bregman Divergences: an Asymptotic Analysis (NeurIPS 2016 · similarity 0.89)
- Improved Guarantees for k-means++ and k-means++ Parallel (NeurIPS 2020 · similarity 0.88)
- Bregman Power k-Means for Clustering Exponential Family Data (ICML 2022 · similarity 0.88)
- Statistically Optimal $K$-means Clustering via Nonnegative Low-rank Semidefinite Programming (ICLR 2024 · similarity 0.86)
- An Objective for Hierarchical Clustering in Euclidean Space and Its Connection to Bisecting K-means (AAAI 2020 · similarity 0.86)
- Relax and Merge: A Simple Yet Effective Framework for Solving Fair $k$-Means and $k$-sparse Wasserstein Barycenter Problems (ICLR 2025 · similarity 0.85)
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