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Neural network-based clustering using pairwise constraints

arXiv.org Machine Learning

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.


A Classification-Based Approach to Semi-Supervised Clustering with Pairwise Constraints

arXiv.org Machine Learning

A Classification-Based Approach to Semi-Supervised Clustering with Pairwise Constraints Marek Smieja a,, Łukasz Struski a, Mário A. T. Figueiredo b a Faculty of Mathematics and Computer Science, Jagiellonian University, Kraków, Poland b Instituto de T elecomunicações, Instituto Superior Técnico, Universidade de Lisboa, Lisbon, PortugalAbstract In this paper, we introduce a neural network framework for semi-supervised clustering (SSC) with pairwise (must-link or cannot-link) constraints. In contrast to existing approaches, we decompose SSC into two simpler classification tasks/stages: the first stage uses a pair of Siamese neural networks to label the unlabeled pairs of points as must-link or cannot-link; the second stage uses the fully pairwise-labeled dataset produced by the first stage in a supervised neural-network-based clustering method. The proposed approach, S 3 C 2 (Semi-Supervised Siamese C lassifiers for C lustering), is motivated by the observation that binary classification (such as assigning pairwise relations) is usually easier than multi-class clustering with partial supervision. On the other hand, being classification-based, our method solves only well-defined classification problems, rather than less well specified clustering tasks. Extensive experiments on various datasets demonstrate the high performance of the proposed method. Keywords: semi-supervised clustering, deep learning, neural networks, pairwise constraints 1. Introduction Clustering is an important unsupervised learning tool often used to analyze the structure of complex high-dimensional data. Semi-supervised clustering (SSC) methods tackle this issue by leveraging partial prior information about class labels, with the goal of obtaining partitions that are better aligned with true classes [1, 2, 3, 4, 5, 6]. One typical way of injecting class label information into clustering is in the form of pairwise constraints (typically, must-link and cannot-link constraints), or pairwise preferences (e.g., should-link and shouldn't-link), which indicate whether a given pair of points is believed to belong to the same or different classes. Most SSC approaches rely on adapting existing unsupervised clustering methods to handle partial (namely, pairwise) information [7, 8, 4, 5, 6, 9].


Deep Unsupervised Clustering Using Mixture of Autoencoders

arXiv.org Machine Learning

Unsupervised clustering is one of the most fundamental challenges in machine learning. A popular hypothesis is that data are generated from a union of low-dimensional nonlinear manifolds; thus an approach to clustering is identifying and separating these manifolds. In this paper, we present a novel approach to solve this problem by using a mixture of autoencoders. Our model consists of two parts: 1) a collection of autoencoders where each autoencoder learns the underlying manifold of a group of similar objects, and 2) a mixture assignment neural network, which takes the concatenated latent vectors from the autoencoders as input and infers the distribution over clusters. By jointly optimizing the two parts, we simultaneously assign data to clusters and learn the underlying manifolds of each cluster.


Deep Temporal Clustering : Fully Unsupervised Learning of Time-Domain Features

arXiv.org Machine Learning

Unsupervised learning of time series data, also known as temporal clustering, is a challenging problem in machine learning. Here we propose a novel algorithm, Deep Temporal Clustering (DTC), to naturally integrate dimensionality reduction and temporal clustering into a single end-to-end learning framework, fully unsupervised. The algorithm utilizes an autoencoder for temporal dimensionality reduction and a novel temporal clustering layer for cluster assignment. Then it jointly optimizes the clustering objective and the dimensionality reduction objec tive. Based on requirement and application, the temporal clustering layer can be customized with any temporal similarity metric. Several similarity metrics and state-of-the-art algorithms are considered and compared. To gain insight into temporal features that the network has learned for its clustering, we apply a visualization method that generates a region of interest heatmap for the time series. The viability of the algorithm is demonstrated using time series data from diverse domains, ranging from earthquakes to spacecraft sensor data. In each case, we show that the proposed algorithm outperforms traditional methods. The superior performance is attributed to the fully integrated temporal dimensionality reduction and clustering criterion.


Semi-Supervised Class Discovery

arXiv.org Machine Learning

One promising approach to dealing with datapoints that are outside of the initial training distribution (OOD) is to create new classes that capture similarities in the datapoints previously rejected as uncategorizable. Systems that generate labels can be deployed against an arbitrary amount of data, discovering classification schemes that through training create a higher quality representation of data. We introduce the Dataset Reconstruction Accuracy, a new and important measure of the effectiveness of a model's ability to create labels. We introduce benchmarks against this Dataset Reconstruction metric. We apply a new heuristic, class learnability, for deciding whether a class is worthy of addition to the training dataset. We show that our class discovery system can be successfully applied to vision and language, and we demonstrate the value of semi-supervised learning in automatically discovering novel classes.