Attention-based clustering

Abstract: Transformers have emerged as a powerful neural network architecture capable of tackling a wide range of learning tasks. In this work, we provide a theoretical analysis of their ability to automatically extract structure from data in an unsupervised setting. In particular, we demonstrate their suitability for clustering when the input data is generated from a Gaussian mixture model. To this end, we study a simplified two-head attention layer and define a population risk whose minimization with unlabeled data drives the head parameters to align with the true mixture centroids. This phenomenon highlights the ability of attention-based layers to capture underlying distributional structure. We further examine an attention layer with key, query, and value matrices fixed to the identity, and show that, even without any trainable parameters, it can perform in-context quantization, revealing the surprising capacity of transformer-based methods to adapt dynamically to input-specific distributions.