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Clustering in Deep Stochastic Transformers

Fedorov, Lev, Sander, Michaël E., Elie, Romuald, Marion, Pierre, Laurière, Mathieu

arXiv.org Machine Learning

Transformers have revolutionized deep learning across various domains but understanding the precise token dynamics remains a theoretical challenge. Existing theories of deep Transformers with layer normalization typically predict that tokens cluster to a single point; however, these results rely on deterministic weight assumptions, which fail to capture the standard initialization scheme in Transformers. In this work, we show that accounting for the intrinsic stochasticity of random initialization alters this picture. More precisely, we analyze deep Transformers where noise arises from the random initialization of value matrices. Under diffusion scaling and token-wise RMS normalization, we prove that, as the number of Transformer layers goes to infinity, the discrete token dynamics converge to an interacting-particle system on the sphere where tokens are driven by a \emph{common} matrix-valued Brownian noise. In this limit, we show that initialization noise prevents the collapse to a single cluster predicted by deterministic models. For two tokens, we prove a phase transition governed by the interaction strength and the token dimension: unlike deterministic attention flows, antipodal configurations become attracting with positive probability. Numerical experiments confirm the predicted transition, reveal that antipodal formations persist for more than two tokens, and demonstrate that suppressing the intrinsic noise degrades accuracy.


Efficient Clustering in Stochastic Bandits

Chandran, G Dhinesh, Reddy, Kota Srinivas, Bhashyam, Srikrishna

arXiv.org Machine Learning

We study the Bandit Clustering (BC) problem under the fixed confidence setting, where the objective is to group a collection of data sequences (arms) into clusters through sequential sampling from adaptively selected arms at each time step while ensuring a fixed error probability at the stopping time. We consider a setting where arms in a cluster may have different distributions. Unlike existing results in this setting, which assume Gaussian-distributed arms, we study a broader class of vector-parametric distributions that satisfy mild regularity conditions. Existing asymptotically optimal BC algorithms require solving an optimization problem as part of their sampling rule at each step, which is computationally costly. We propose an Efficient Bandit Clustering algorithm (EBC), which, instead of solving the full optimization problem, takes a single step toward the optimal value at each time step, making it computationally efficient while remaining asymptotically optimal. We also propose a heuristic variant of EBC, called EBC-H, which further simplifies the sampling rule, with arm selection based on quantities computed as part of the stopping rule. We highlight the computational efficiency of EBC and EBC-H by comparing their per-sample run time with that of existing algorithms. The asymptotic optimality of EBC is supported through simulations on the synthetic datasets. Through simulations on both synthetic and real-world datasets, we show the performance gain of EBC and EBC-H over existing approaches.


Simple, Scalable and Effective Clustering via One-Dimensional Projections

Neural Information Processing Systems

Clustering is a fundamental problem in unsupervised machine learning with many applications in data analysis. Popular clustering algorithms such as Lloyd's algorithm and $k$-means++ can take $\Omega(ndk)$ time when clustering $n$ points in a $d$-dimensional space (represented by an $n\times d$ matrix $X$) into $k$ clusters. On massive datasets with moderate to large $k$, the multiplicative $k$ factor can become very expensive. We introduce a simple randomized clustering algorithm that provably runs in expected time $O(\mathsf{nnz}(X) + n\log n)$ for arbitrary $k$. Here $\mathsf{nnz}(X)$ is the total number of non-zero entries in the input dataset $X$, which is upper bounded by $nd$ and can be significantly smaller for sparse datasets. We prove that our algorithm achieves approximation ratio $\widetilde{O}(k^4)$ on any input dataset for the $k$-means objective, and our experiments show that the quality of the clusters found by our algorithm is usually much better than this worst-case bound. We use our algorithm for $k$-means clustering and for coreset construction; our experiments show that it gives a new tradeoff between running time and cluster quality compared to previous state-of-the-art methods for these tasks. Our theoretical analysis is based on novel results of independent interest. We show that the approximation ratio achieved after a random one-dimensional projection can be lifted to the original points and that $k$-means++ seeding can be implemented in expected time $O(n\log n)$ in one dimension.


Data-Driven Clustering via Parameterized Lloyd's Families

Neural Information Processing Systems

Algorithms for clustering points in metric spaces is a long-studied area of research. Clustering has seen a multitude of work both theoretically, in understanding the approximation guarantees possible for many objective functions such as k-median and k-means clustering, and experimentally, in finding the fastest algorithms and seeding procedures for Lloyd's algorithm. The performance of a given clustering algorithm depends on the specific application at hand, and this may not be known up front. For example, a typical instance may vary depending on the application, and different clustering heuristics perform differently depending on the instance. In this paper, we define an infinite family of algorithms generalizing Lloyd's algorithm, with one parameter controlling the the initialization procedure, and another parameter controlling the local search procedure. This family of algorithms includes the celebrated k-means++ algorithm, as well as the classic farthest-first traversal algorithm. We design efficient learning algorithms which receive samples from an application-specific distribution over clustering instances and learn a near-optimal clustering algorithm from the class. We show the best parameters vary significantly across datasets such as MNIST, CIFAR, and mixtures of Gaussians. Our learned algorithms never perform worse than k-means++, and on some datasets we see significant improvements.


Fair Clustering Under a Bounded Cost

Neural Information Processing Systems

Clustering is a fundamental unsupervised learning problem where a dataset is partitioned into clusters that consist of nearby points in a metric space. A recent variant, fair clustering, associates a color with each point representing its group membership and requires that each color has (approximately) equal representation in each cluster to satisfy group fairness.


Simple and Scalable Sparse k-means Clustering via Feature Ranking

Neural Information Processing Systems

Clustering, a fundamental activity in unsupervised learning, is notoriously difficult when the feature space is high-dimensional. Fortunately, in many realistic scenarios, only a handful of features are relevant in distinguishing clusters. This has motivated the development of sparse clustering techniques that typically rely on k-means within outer algorithms of high computational complexity. Current techniques also require careful tuning of shrinkage parameters, further limiting their scalability. In this paper, we propose a novel framework for sparse k-means clustering that is intuitive, simple to implement, and competitive with state-of-the-art algorithms. We show that our algorithm enjoys consistency and convergence guarantees. Our core method readily generalizes to several task-specific algorithms such as clustering on subsets of attributes and in partially observed data settings.


Align then Fusion: Generalized Large-scale Multi-view Clustering with Anchor Matching Correspondences

Neural Information Processing Systems

Multi-view anchor graph clustering selects representative anchors to avoid full pair-wise similarities and therefore reduce the complexity of graph methods. Although widely applied in large-scale applications, existing approaches do not pay sufficient attention to establishing correct correspondences between the anchor sets across views. To be specific, anchor graphs obtained from different views are not aligned column-wisely. Such an Anchor-Unaligned Problem (AUP) would cause inaccurate graph fusion and degrade the clustering performance. Under multi-view scenarios, generating correct correspondences could be extremely difficult since anchors are not consistent in feature dimensions.