Partial label learning (PLL) is a significant weakly supervised learning framework, where each training example corresponds to a set of candidate labels and only one label is the ground-truth label. For the first time, this paper investigates the partial label clustering problem, which takes advantage of the limited available partial labels to improve the clustering performance. Specifically, we first construct a weight matrix of examples based on their relationships in the feature space and disambiguate the candidate labels to estimate the ground-truth label based on the weight matrix. Then, we construct a set of must-link and cannot-link constraints based on the disambiguation results. Moreover, we propagate the initial must-link and cannot-link constraints based on an adversarial prior promoted dual-graph learning approach. Finally, we integrate weight matrix construction, label disambiguation, and pairwise constraints propagation into a joint model to achieve mutual enhancement. We also theoretically prove that a better disambiguated label matrix can help improve clustering performance. Comprehensive experiments demonstrate our method realizes superior performance when comparing with state-of-the-art constrained clustering methods, and outperforms PLL and semi-supervised PLL methods when only limited samples are annotated. The code is publicly available at https://github.com/xyt-ml/PLC.
Martian terrain recognition is pivotal for advancing our understanding of topography, geomorphology, paleoclimate, and habitability. While deep clustering methods have shown promise in learning semantically homogeneous feature embeddings from Martian rover imagery, the natural variations in intensity, scale, and rotation pose significant challenges for accurate terrain classification. To address these limitations, we propose Deep Constrained Clustering with Metric Learning (DCCML), a novel algorithm that leverages multiple constraint types to guide the clustering process. DCCML incorporates soft must-link constraints derived from spatial and depth similarities between neighboring patches, alongside hard constraints from stereo camera pairs and temporally adjacent images. Experimental evaluation on the Curiosity rover dataset (with 150 clusters) demonstrates that DCCML increases homogeneous clusters by 16.7 percent while reducing the Davies-Bouldin Index from 3.86 to 1.82 and boosting retrieval accuracy from 86.71 percent to 89.86 percent. This improvement enables more precise classification of Martian geological features, advancing our capacity to analyze and understand the planet's landscape.
Auscultation plays a pivotal role in early respiratory and pulmonary disease diagnosis. Despite the emergence of deep learning-based methods for automatic respiratory sound classification post-Covid-19, limited datasets impede performance enhancement. Distinguishing between normal and abnormal respiratory sounds poses challenges due to the coexistence of normal respiratory components and noise components in both types. Moreover, different abnormal respiratory sounds exhibit similar anomalous features, hindering their differentiation. Besides, existing state-of-the-art models suffer from excessive parameter size, impeding deployment on resource-constrained mobile platforms. To address these issues, we design a lightweight network CycleGuardian and propose a framework based on an improved deep clustering and contrastive learning. We first generate a hybrid spectrogram for feature diversity and grouping spectrograms to facilitating intermittent abnormal sound capture.Then, CycleGuardian integrates a deep clustering module with a similarity-constrained clustering component to improve the ability to capture abnormal features and a contrastive learning module with group mixing for enhanced abnormal feature discernment. Multi-objective optimization enhances overall performance during training. In experiments we use the ICBHI2017 dataset, following the official split method and without any pre-trained weights, our method achieves Sp: 82.06 $\%$, Se: 44.47$\%$, and Score: 63.26$\%$ with a network model size of 38M, comparing to the current model, our method leads by nearly 7$\%$, achieving the current best performances. Additionally, we deploy the network on Android devices, showcasing a comprehensive intelligent respiratory sound auscultation system.
This paper considers the problem of model selection under domain shift. Motivated by principles from distributionally robust optimisation (DRO) and domain adaptation theory, it is proposed that the training-validation split should maximise the distribution mismatch between the two sets. By adopting the maximum mean discrepancy (MMD) as the measure of mismatch, it is shown that the partitioning problem reduces to kernel k-means clustering. A constrained clustering algorithm, which leverages linear programming to control the size, label, and (optionally) group distributions of the splits, is presented. The algorithm does not require additional metadata, and comes with convergence guarantees. In experiments, the technique consistently outperforms alternative splitting strategies across a range of datasets and training algorithms, for both domain generalisation (DG) and unsupervised domain adaptation (UDA) tasks. Analysis also shows the MMD between the training and validation sets to be strongly rank-correlated ($\rho=0.63$) with test domain accuracy, further substantiating the validity of this approach.
A wide range of (multivariate) temporal (1D) and spatial (2D) data analysis tasks, such as grouping vehicle sensor trajectories, can be formulated as clustering with given metric constraints. Existing metric-constrained clustering algorithms overlook the rich correlation between feature similarity and metric distance, i.e., metric autocorrelation. The model-based variations of these clustering algorithms (e.g. TICC and STICC) achieve SOTA performance, yet suffer from computational instability and complexity by using a metric-constrained Expectation-Maximization procedure. In order to address these two problems, we propose a novel clustering algorithm, MC-GTA (Model-based Clustering via Goodness-of-fit Tests with Autocorrelations). Its objective is only composed of pairwise weighted sums of feature similarity terms (square Wasserstein-2 distance) and metric autocorrelation terms (a novel multivariate generalization of classic semivariogram). We show that MC-GTA is effectively minimizing the total hinge loss for intra-cluster observation pairs not passing goodness-of-fit tests, i.e., statistically not originating from the same distribution. Experiments on 1D/2D synthetic and real-world datasets demonstrate that MC-GTA successfully incorporates metric autocorrelation. It outperforms strong baselines by large margins (up to 14.3% in ARI and 32.1% in NMI) with faster and stabler optimization (>10x speedup).
We study the problem of privacy-preserving $k$-means clustering in the horizontally federated setting. Existing federated approaches using secure computation suffer from substantial overheads and do not offer output privacy. At the same time, differentially private (DP) $k$-means algorithms either assume a trusted central curator or significantly degrade utility by adding noise in the local DP model. Naively combining the secure and central DP solutions results in a protocol with impractical overhead. Instead, our work provides enhancements to both the DP and secure computation components, resulting in a design that is faster, more private, and more accurate than previous work. By utilizing the computational DP model, we design a lightweight, secure aggregation-based approach that achieves five orders of magnitude speed-up over state-of-the-art related work. Furthermore, we not only maintain the utility of the state-of-the-art in the central model of DP, but we improve the utility further by designing a new DP clustering mechanism.
The domain of explainable AI is of interest in all Machine Learning fields, and it is all the more important in clustering, an unsupervised task whose result must be validated by a domain expert. We aim at finding a clustering that has high quality in terms of classic clustering criteria and that is explainable, and we argue that these two dimensions must be considered when building the clustering. We consider that a good global explanation of a clustering should give the characteristics of each cluster taking into account their abilities to describe its objects (coverage) while distinguishing it from the other clusters (discrimination). Furthermore, we aim at leveraging expert knowledge, at different levels, on the structure of the expected clustering or on its explanations. In our framework an explanation of a cluster is a set of patterns, and we propose a novel interpretable constrained clustering method called ECS for declarative clustering with Explainabilty-driven Cluster Selection that integrates structural or domain expert knowledge expressed by means of constraints. It is based on the notion of coverage and discrimination that are formalized at different levels (cluster / clustering), each allowing for exceptions through parameterized thresholds. Our method relies on four steps: generation of a set of partitions, computation of frequent patterns for each cluster, pruning clusters that violates some constraints, and selection of clusters and associated patterns to build an interpretable clustering. This last step is combinatorial and we have developed a Constraint-Programming (CP) model to solve it. The method can integrate prior knowledge in the form of user constraints, both before or in the CP model.
In the first part of this study, a convex-constrained penalized formulation was studied for a class of constant modulus (CM) problems. In particular, the error bound techniques were shown to play a vital role in providing exact penalization results. In this second part of the study, we continue our error bound analysis for the cases of partial permutation matrices, size-constrained assignment matrices and non-negative semi-orthogonal matrices. We develop new error bounds and penalized formulations for these three cases, and the new formulations possess good structures for building computationally efficient algorithms. Moreover, we provide numerical results to demonstrate our framework in a variety of applications such as the densest k-subgraph problem, graph matching, size-constrained clustering, non-negative orthogonal matrix factorization and sparse fair principal component analysis.
The use of hyperspectral imaging to investigate food samples has grown due to the improved performance and lower cost of instrumentation. Food engineers use hyperspectral images to classify the type and quality of a food sample, typically using classification methods. In order to train these methods, every pixel in each training image needs to be labelled. Typically, computationally cheap threshold-based approaches are used to label the pixels, and classification methods are trained based on those labels. However, threshold-based approaches are subjective and cannot be generalized across hyperspectral images taken in different conditions and of different foods. Here a consensus-constrained parsimonious Gaussian mixture model (ccPGMM) is proposed to label pixels in hyperspectral images using a model-based clustering approach. The ccPGMM utilizes information that is available on some pixels and specifies constraints on those pixels belonging to the same or different clusters while clustering the rest of the pixels in the image. A latent variable model is used to represent the high-dimensional data in terms of a small number of underlying latent factors. To ensure computational feasibility, a consensus clustering approach is employed, where the data are divided into multiple randomly selected subsets of variables and constrained clustering is applied to each data subset; the clustering results are then consolidated across all data subsets to provide a consensus clustering solution. The ccPGMM approach is applied to simulated datasets and real hyperspectral images of three types of puffed cereal, corn, rice, and wheat. Improved clustering performance and computational efficiency are demonstrated when compared to other current state-of-the-art approaches.
Given a network, allocating resources at clusters level, rather than at each node, enhances efficiency in resource allocation and usage. In this paper, we study the problem of finding fully connected disjoint clusters to minimize the intra-cluster distances and maximize the number of nodes assigned to the clusters, while also ensuring that no two nodes within a cluster exceed a threshold distance. While the problem can easily be formulated using a binary linear model, traditional combinatorial optimization solvers struggle when dealing with large-scale instances. We propose an approach to solve this constrained clustering problem via reinforcement learning. Our method involves training an agent to generate both feasible and (near) optimal solutions. The agent learns problem-specific heuristics, tailored to the instances encountered in this task. In the results section, we show that our algorithm finds near optimal solutions, even for large scale instances.
This paper investigates the application of advanced image segmentation techniques to analyze C-fos immediate early gene expression, a crucial marker for neural activity. Due to the complexity and high variability of neural circuits, accurate segmentation of C-fos images is paramount for the development of new insights into neural function. Amidst this backdrop, this research aims to improve accuracy and minimize manual intervention in C-fos image segmentation by leveraging the capabilities of CNNs and the Unet model. We describe the development of a novel workflow for the segmentation process involving Convolutional Neural Networks (CNNs) and the Unet model, demonstrating their efficiency in various image segmentation tasks. Our workflow incorporates pre-processing steps such as cropping, image feature extraction, and clustering for the training dataset selection. We used an AutoEncoder model to extract features and implement constrained clustering to identify similarities and differences in image types. Additionally, we utilized manual and automatic labeling approaches to enhance the performance of our model. We demonstrated the effectiveness of our method in distinguishing areas with significant C-fos expression from normal tissue areas. Lastly, we implemented a modified Unet network for the detection of C-fos expressions. This research contributes to the development of more efficient and automated image segmentation methods, advancing the understanding of neural function in neuroscience research.
Constrained clustering allows the training of classification models using pairwise constraints only, which are weak and relatively easy to mine, while still yielding full-supervision-level model performance. While they perform well even in the absence of the true underlying class labels, constrained clustering models still require large amounts of binary constraint annotations for training. In this paper, we propose a semi-supervised context whereby a large amount of \textit{unconstrained} data is available alongside a smaller set of constraints, and propose \textit{ConstraintMatch} to leverage such unconstrained data. While a great deal of progress has been made in semi-supervised learning using full labels, there are a number of challenges that prevent a naive application of the resulting methods in the constraint-based label setting. Therefore, we reason about and analyze these challenges, specifically 1) proposing a \textit{pseudo-constraining} mechanism to overcome the confirmation bias, a major weakness of pseudo-labeling, 2) developing new methods for pseudo-labeling towards the selection of \textit{informative} unconstrained samples, 3) showing that this also allows the use of pairwise loss functions for the initial and auxiliary losses which facilitates semi-constrained model training. In extensive experiments, we demonstrate the effectiveness of ConstraintMatch over relevant baselines in both the regular clustering and overclustering scenarios on five challenging benchmarks and provide analyses of its several components.
The recent integration of deep learning and pairwise similarity annotation-based constrained clustering -- i.e., $\textit{deep constrained clustering}$ (DCC) -- has proven effective for incorporating weak supervision into massive data clustering: Less than 1% of pair similarity annotations can often substantially enhance the clustering accuracy. However, beyond empirical successes, there is a lack of understanding of DCC. In addition, many DCC paradigms are sensitive to annotation noise, but performance-guaranteed noisy DCC methods have been largely elusive. This work first takes a deep look into a recently emerged logistic loss function of DCC, and characterizes its theoretical properties. Our result shows that the logistic DCC loss ensures the identifiability of data membership under reasonable conditions, which may shed light on its effectiveness in practice. Building upon this understanding, a new loss function based on geometric factor analysis is proposed to fend against noisy annotations. It is shown that even under $\textit{unknown}$ annotation confusions, the data membership can still be $\textit{provably}$ identified under our proposed learning criterion. The proposed approach is tested over multiple datasets to validate our claims.
Coresets for $k$-means and $k$-median problems yield a small summary of the data, which preserve the clustering cost with respect to any set of $k$ centers. Recently coresets have also been constructed for constrained $k$-means and $k$-median problems. However, the notion of coresets has the drawback that (i) they can only be applied in settings where the input points are allowed to have weights, and (ii) in general metric spaces, the size of the coresets can depend logarithmically on the number of points. The notion of weak coresets, which have less stringent requirements than coresets, has been studied in the context of classical $k$-means and $k$-median problems. A weak coreset is a pair $(J,S)$ of subsets of points, where $S$ acts as a summary of the point set and $J$ as a set of potential centers. This pair satisfies the properties that (i) $S$ is a good summary of the data as long as the $k$ centers are chosen from $J$ only, and (ii) there is a good choice of $k$ centers in $J$ with cost close to the optimal cost. We develop this framework, which we call universal weak coresets, for constrained clustering settings. In conjunction with recent coreset constructions for constrained settings, our designs give greater data compression, are conceptually simpler, and apply to a wide range of constrained $k$-median and $k$-means problems.
Clustering is a well-known unsupervised machine learning approach capable of automatically grouping discrete sets of instances with similar characteristics. Constrained clustering is a semi-supervised extension to this process that can be used when expert knowledge is available to indicate constraints that can be exploited. Well-known examples of such constraints are must-link (indicating that two instances belong to the same group) and cannot-link (two instances definitely do not belong together). The research area of constrained clustering has grown significantly over the years with a large variety of new algorithms and more advanced types of constraints being proposed. However, no unifying overview is available to easily understand the wide variety of available methods, constraints and benchmarks. To remedy this, this study presents in-detail the background of constrained clustering and provides a novel ranked taxonomy of the types of constraints that can be used in constrained clustering. In addition, it focuses on the instance-level pairwise constraints, and gives an overview of its applications and its historical context. Finally, it presents a statistical analysis covering 307 constrained clustering methods, categorizes them according to their features, and provides a ranking score indicating which methods have the most potential based on their popularity and validation quality. Finally, based upon this analysis, potential pitfalls and future research directions are provided.
Recent work on deep clustering has found new promising methods also for constrained clustering problems. Their typically pairwise constraints often can be used to guide the partitioning of the data. Many problems however, feature cluster-level constraints, e.g. the Capacitated Clustering Problem (CCP), where each point has a weight and the total weight sum of all points in each cluster is bounded by a prescribed capacity. In this paper we propose a new method for the CCP, Neural Capacited Clustering, that learns a neural network to predict the assignment probabilities of points to cluster centers from a data set of optimal or near optimal past solutions of other problem instances. During inference, the resulting scores are then used in an iterative k-means like procedure to refine the assignment under capacity constraints. In our experiments on artificial data and two real world datasets our approach outperforms several state-of-the-art mathematical and heuristic solvers from the literature. Moreover, we apply our method in the context of a cluster-first-route-second approach to the Capacitated Vehicle Routing Problem (CVRP) and show competitive results on the well-known Uchoa benchmark.
Constrained clustering is a semi-supervised task that employs a limited amount of labelled data, formulated as constraints, to incorporate domain-specific knowledge and to significantly improve clustering accuracy. Previous work has considered exact optimization formulations that can guarantee optimal clustering while satisfying all constraints, however these approaches lack interpretability. Recently, decision-trees have been used to produce inherently interpretable clustering solutions, however existing approaches do not support clustering constraints and do not provide strong theoretical guarantees on solution quality. In this work, we present a novel SAT-based framework for interpretable clustering that supports clustering constraints and that also provides strong theoretical guarantees on solution quality. We also present new insight into the trade-off between interpretability and satisfaction of such user-provided constraints. Our framework is the first approach for interpretable and constrained clustering. Experiments with a range of real-world and synthetic datasets demonstrate that our approach can produce high-quality and interpretable constrained clustering solutions.
Creating separable representations via representation learning and clustering is critical in analyzing large unstructured datasets with only a few labels. Separable representations can lead to supervised models with better classification capabilities and additionally aid in generating new labeled samples. Most unsupervised and semisupervised methods to analyze large datasets do not leverage the existing small amounts of labels to get better representations. In this paper, we propose a spatiotemporal clustering paradigm that uses spatial and temporal features combined with a constrained loss to produce separable representations. We show the working of this method on the newly published dataset ReaLSAT, a dataset of surface water dynamics for over 680,000 lakes across the world, making it an essential dataset in terms of ecology and sustainability. Using this large unlabelled dataset, we first show how a spatiotemporal representation is better compared to just spatial or temporal representation. We then show how we can learn even better representation using a constrained loss with few labels. We conclude by showing how our method, using few labels, can pick out new labeled samples from the unlabeled data, which can be used to augment supervised methods leading to better classification.
A keyword search on constrained clustering on Web-of-Science returned just under 3,000 documents. We ran automatic analyses of those, and compiled our own bibliography of 183 papers which we analysed in more detail based on their topic and experimental study, if any. This paper presents general trends of the area and its sub-topics by Pareto analysis, using citation count and year of publication. We list available software and analyse the experimental sections of our reference collection. We found a notable lack of large comparison experiments. Among the topics we reviewed, applications studies were most abundant recently, alongside deep learning, active learning and ensemble learning.
Despite the fact that many anomaly detection approaches have been developed for multivariate time series data, limited effort has been made on federated settings in which multivariate time series data are heterogeneously distributed among different edge devices while data sharing is prohibited. In this paper, we investigate the problem of federated unsupervised anomaly detection and present a Federated Exemplar-based Deep Neural Network (Fed-ExDNN) to conduct anomaly detection for multivariate time series data on different edge devices. Specifically, we first design an Exemplar-based Deep Neural network (ExDNN) to learn local time series representations based on their compatibility with an exemplar module which consists of hidden parameters learned to capture varieties of normal patterns on each edge device. Next, a constrained clustering mechanism (FedCC) is employed on the centralized server to align and aggregate the parameters of different local exemplar modules to obtain a unified global exemplar module. Finally, the global exemplar module is deployed together with a shared feature encoder to each edge device and anomaly detection is conducted by examining the compatibility of testing data to the exemplar module. Fed-ExDNN captures local normal time series patterns with ExDNN and aggregates these patterns by FedCC, and thus can handle the heterogeneous data distributed over different edge devices simultaneously. Thoroughly empirical studies on six public datasets show that ExDNN and Fed-ExDNN can outperform state-of-the-art anomaly detection algorithms and federated learning techniques.