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Neural network-based clustering using pairwise constraints (1511.06321v5)

Published 19 Nov 2015 in cs.LG and stat.ML

Abstract: This paper presents a neural network-based end-to-end clustering framework. We design a novel strategy to utilize the contrastive criteria for pushing data-forming clusters directly from raw data, in addition to learning a feature embedding suitable for such clustering. The network is trained with weak labels, specifically partial pairwise relationships between data instances. The cluster assignments and their probabilities are then obtained at the output layer by feed-forwarding the data. The framework has the interesting characteristic that no cluster centers need to be explicitly specified, thus the resulting cluster distribution is purely data-driven and no distance metrics need to be predefined. The experiments show that the proposed approach beats the conventional two-stage method (feature embedding with k-means) by a significant margin. It also compares favorably to the performance of the standard cross entropy loss for classification. Robustness analysis also shows that the method is largely insensitive to the number of clusters. Specifically, we show that the number of dominant clusters is close to the true number of clusters even when a large k is used for clustering.

Citations (80)

Summary

  • The paper introduces a neural network framework that leverages weak pairwise constraints to concurrently learn feature embeddings and perform clustering.
  • The method employs a contrastive KL divergence cost function to minimize distances between similar instances while optimizing clustering purity under variable conditions.
  • Empirical results on MNIST and CIFAR-10 demonstrate superior clustering performance and robustness to noise, highlighting its potential for semi-supervised tasks.

Neural Network-Based Clustering Using Pairwise Constraints: A Comprehensive Overview

The paper presented by Hsu and Kira introduces a sophisticated neural network-based framework for end-to-end clustering, diverging from conventional clustering methods that frequently rely on predefined distance metrics and explicit cluster centers. By leveraging pairwise constraints, the framework aims to perform clustering directly from raw data while concurrently learning useful feature embeddings. This approach challenges the existing paradigms of clustering by emphasizing a purely data-driven methodology devoid of rigid assumptions about the data distribution.

Framework and Methodology

The fundamental innovation of the paper lies in its utilization of weak labels, represented as partial pairwise relationships, to drive the learning process. Through pairwise constraints, the neural network not only learns a suitable feature embedding but also performs clustering concurrently. Here, the authors employ a contrastive KL divergence-based cost function, which serves to minimize the statistical distance between similar instances while maximizing it for dissimilar ones. This formulation aligns with the principles of contrastive learning without requiring the explicit calculation of cluster centers or distance metrics.

A significant advantage of this method is its robustness to variations in the specified number of clusters. The neural network adapts its clustering assignment to the intrinsic data clusters without being constrained by the a priori cluster number, highlighting its adaptability in scenarios where the true number of clusters is unknown or may vary dynamically.

Experimental Results

Empirical validation on datasets such as MNIST and CIFAR-10 demonstrate the method's efficacy. The proposed framework outperforms the traditional two-stage method of feature embedding followed by k-means clustering. Notably, it achieves superior clustering purity and NMI scores with fewer constraints, illustrating its efficiency in utilizing pairwise relationships.

Furthermore, the robustness analysis underscores the insensitivity of the method to the number of clusters and added noise, showing its potential in real-world applications where data might be noisy or incomplete. The authors also show that when full pairwise constraints are available, the clustering accuracy rivals standard classification approaches, thereby indicating the capacity to substitute full labels under certain conditions.

Implications and Future Directions

This approach presents compelling implications for domains where labels are scarce, expensive, or challenging to obtain, suggesting an alternative path for semi-supervised and unsupervised learning endeavors. The framework could further catalyze research into learning feature representations purely from clustering without reliance on heavy labeled data, addressing crucial needs in fields with abundant qualitative data but limited annotations.

Future developments could bolster the deployment of this method on significantly larger and more complex datasets, leveraging deeper network architectures and more advanced optimization strategies. Such explorations may well push the boundaries of unsupervised feature learning, potentially leading to richer representations and more accurate clustering outcomes.

In summary, this paper contributes a novel perspective to neural network-based clustering, fostering future investigations into the confluence of pairwise constraints and data-driven clustering methodologies. The implications for machine learning, especially in terms of reducing dependency on large labeled datasets, make it a valuable reference for contemporary and emerging clustering technologies in artificial intelligence.