Research map / Learning theory and algorithms / Combinatorial and search optimization
OneBatchPAM: A Fast and Frugal K-Medoids Algorithm
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Proposes OneBatchPAM, a k-medoids local-search that estimates swap objectives with a single random batch of size O(log n), cutting dissimilarity computations to O(n log n) while approximating FasterPAM's solutions.
Problem
Scalable k-medoids clustering: PAM-style local search needs O(n^2) pairwise dissimilarities and memory, which is infeasible for large n with expensive dissimilarities.
Approach
Compute dissimilarities only between all n points and one uniformly drawn batch of size m=O(log n), and use the batch-estimated objective to pick swaps over the full candidate set X_n (not just the batch), with a Hoeffding-based theorem showing the same swaps as FasterPAM w.h.p.; adds debiasing and nearest-neighbor importance weighting.
Key results
- OneBatchPAM-nniw reduces running time to about 15.5% of FasterPAM on small-scale datasets (roughly 7x faster on average) with 1.7% objective penalty relative to FasterPAM.
- On large-scale datasets where FasterPAM and BanditPAM++ fail, OneBatchPAM-nniw achieves the best objective (ΔRO 0.0) while FasterCLARA-5 is about 7x faster but 8.0% worse.
- Debiasing and NNIW give modest gains over uniform sampling (about 0.2% and 1.2% objective improvement respectively), and LWCS degrades performance.
Measured effects reported in the paper
| What was changed | Where | Measured | Effect |
|---|---|---|---|
| use nearest-neighbor importance weighting instead of uniform sampling (ablation) | OneBatchPAM · Small scale | ΔRO (%): above 1.2% over uniform sampling | Helped |
| use nearest-neighbor importance weighting instead of uniform sampling (ablation) | OneBatchPAM · Large scale | ΔRO (%): 1.2 -> 0.0 | Helped |
| set sampled-point self-dissimilarity to infinity (ablation) | OneBatchPAM · Small and large scale | ΔRO (%): 3.9 -> 3.7; 1.2 -> 0.8 | Helped |
| use lightweight coreset sampling instead of uniform sampling (ablation) | OneBatchPAM · Small scale | ΔRO (%): 3.9 -> 12.3 | Hurt |
| use lightweight coreset sampling instead of uniform sampling (ablation) | OneBatchPAM · Large scale | ΔRO (%): 1.2 -> 2.8 | Hurt |
Surprising findings
- The lightweight coreset (LWCS) sampling variant degrades objective quality relative to uniform sampling, which the authors attribute to LWCS being designed for k-means++ rather than PAM.
Limitations
- Theoretical sample size depends on 1/Δ^2 and D^2, so close objectives may require larger batches; the empirical choice m=100 log(kn) is not derived from it.
- Potential overfitting on highly imbalanced datasets where distant points may not be covered by the batch.
- Memory usage is O(n log n), higher than BanditPAM's O(n).
Experimental setup
Datasets: MNIST CIFAR-10 abalone bankruptcy mapping drybean letter dota2 gas covertype
Benchmarks: MNIST CIFAR-10 abalone bankruptcy mapping drybean letter dota2 gas covertype
Metrics: relative objective (ΔRO) relative time (RT)
Baselines: FasterPAM BanditPAM++ FasterCLARA k-means++ kmc2 LS-k-means++ Alternate Random
Builds on: PAM FastPAM FasterPAM CLARA BanditPAM
Closest papers by meaning
- BanditPAM: Almost Linear Time k-Medoids Clustering via Multi-Armed Bandits (NeurIPS 2020 · similarity 0.90)
- Accelerating data-driven algorithm selection for combinatorial partitioning problems (NeurIPS 2025 · similarity 0.82)
- k-HyperEdge Medoids for Clustering Ensemble (AAAI 2025 · similarity 0.82)
- Accelerating Matroid Optimization through Fast Imprecise Oracles (NeurIPS 2024 · similarity 0.81)
- Geometric Median (GM) Matching for Robust k-Subset Selection from Noisy Data (ICML 2025 · similarity 0.81)
- Parameterized Approximation Algorithms for Sum of Radii Clustering and Variants (AAAI 2024 · similarity 0.81)
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