We consider the problem of inferring an unknown number of clusters in replicated multinomial data. Under a model based clustering point of view, this task can be treated by estimating finite mixtures of multinomial distributions with or without covariates. Both Maximum Likelihood (ML) as well as Bayesian estimation are taken into account. Under a Maximum Likelihood approach, we provide an Expectation--Maximization (EM) algorithm which exploits a careful initialization procedure combined with a ridge--stabilized implementation of the Newton--Raphson method in the M--step. Under a Bayesian setup, a stochastic gradient Markov chain Monte Carlo (MCMC) algorithm embedded within a prior parallel tempering scheme is devised. The number of clusters is selected according to the Integrated Completed Likelihood criterion in the ML approach and estimating the number of non-empty components in overfitting mixture models in the Bayesian case. Our method is illustrated in simulated data and applied to two real datasets. An R package is available at //github.com/mqbssppe/multinomialLogitMix.
Support Vector Machines (SVM) have gathered significant acclaim as classifiers due to their successful implementation of Statistical Learning Theory. However, in the context of multiclass and multilabel settings, the reliance on vector-based formulations in existing SVM-based models poses limitations regarding flexibility and ease of incorporating additional terms to handle specific challenges. To overcome these limitations, our research paper focuses on introducing a matrix formulation for SVM that effectively addresses these constraints. By employing the Accelerated Gradient Descent method in the dual, we notably enhance the efficiency of solving the Matrix-SVM problem. Experimental evaluations on multilabel and multiclass datasets demonstrate that Matrix SVM achieves superior time efficacy while delivering similar results to Binary Relevance SVM. Moreover, our matrix formulation unveils crucial insights and advantages that may not be readily apparent in traditional vector-based notations. We emphasize that numerous multilabel models can be viewed as extensions of SVM, with customised modifications to meet specific requirements. The matrix formulation presented in this paper establishes a solid foundation for developing more sophisticated models capable of effectively addressing the distinctive challenges encountered in multilabel learning.
We introduce the nested stochastic block model (NSBM) to cluster a collection of networks while simultaneously detecting communities within each network. NSBM has several appealing features including the ability to work on unlabeled networks with potentially different node sets, the flexibility to model heterogeneous communities, and the means to automatically select the number of classes for the networks and the number of communities within each network. This is accomplished via a Bayesian model, with a novel application of the nested Dirichlet process (NDP) as a prior to jointly model the between-network and within-network clusters. The dependency introduced by the network data creates nontrivial challenges for the NDP, especially in the development of efficient samplers. For posterior inference, we propose several Markov chain Monte Carlo algorithms including a standard Gibbs sampler, a collapsed Gibbs sampler, and two blocked Gibbs samplers that ultimately return two levels of clustering labels from both within and across the networks. Extensive simulation studies are carried out which demonstrate that the model provides very accurate estimates of both levels of the clustering structure. We also apply our model to two social network datasets that cannot be analyzed using any previous method in the literature due to the anonymity of the nodes and the varying number of nodes in each network.
The molten sand, a mixture of calcia, magnesia, alumina, and silicate, known as CMAS, is characterized by its high viscosity, density, and surface tension. The unique properties of CMAS make it a challenging material to deal with in high-temperature applications, requiring innovative solutions and materials to prevent its buildup and damage to critical equipment. Here, we use multiphase many-body dissipative particle dynamics (mDPD) simulations to study the wetting dynamics of highly viscous molten CMAS droplets. The simulations are performed in three dimensions, with varying initial droplet sizes and equilibrium contact angles. We propose a coarse parametric ordinary differential equation (ODE) that captures the spreading radius behavior of the CMAS droplets. The ODE parameters are then identified based on the Physics-Informed Neural Network (PINN) framework. Subsequently, the closed form dependency of parameter values found by PINN on the initial radii and contact angles are given using symbolic regression. Finally, we employ Bayesian PINNs (B-PINNs) to assess and quantify the uncertainty associated with the discovered parameters. In brief, this study provides insight into spreading dynamics of CMAS droplets by fusing simple parametric ODE modeling and state-of-the-art machine learning techniques.
We generalize signature Gr\"obner bases, previously studied in the free algebra over a field or polynomial rings over a ring, to ideals in the mixed algebra $R[x_1,...,x_k]\langle y_1,\dots,y_n \rangle$ where $R$ is a principal ideal domain. We give an algorithm for computing them, combining elements from the theory of commutative and noncommutative (signature) Gr\"obner bases, and prove its correctness. Applications include extensions of the free algebra with commutative variables, e.g., for homogenization purposes or for performing ideal theoretic operations such as intersections, and computations over $\mathbb{Z}$ as universal proofs over fields of arbitrary characteristic. By extending the signature cover criterion to our setting, our algorithm also lifts some technical restrictions from previous noncommutative signature-based algorithms, now allowing, e.g., elimination orderings. We provide a prototype implementation for the case when $R$ is a field, and show that our algorithm for the mixed algebra is more efficient than classical approaches using existing algorithms.
Mixed sample data augmentation (MSDA) is a widely used technique that has been found to improve performance in a variety of tasks. However, in this paper, we show that the effects of MSDA are class-dependent, with some classes seeing an improvement in performance while others experience a decline. To reduce class dependency, we propose the DropMix method, which excludes a specific percentage of data from the MSDA computation. By training on a combination of MSDA and non-MSDA data, the proposed method not only improves the performance of classes that were previously degraded by MSDA, but also increases overall average accuracy, as shown in experiments on two datasets (CIFAR-100 and ImageNet) using three MSDA methods (Mixup, CutMix and PuzzleMix).
Time-series clustering serves as a powerful data mining technique for time-series data in the absence of prior knowledge about clusters. A large amount of time-series data with large size has been acquired and used in various research fields. Hence, clustering method with low computational cost is required. Given that a quantum-inspired computing technology, such as a simulated annealing machine, surpasses conventional computers in terms of fast and accurately solving combinatorial optimization problems, it holds promise for accomplishing clustering tasks that are challenging to achieve using existing methods. This study proposes a novel time-series clustering method that leverages an annealing machine. The proposed method facilitates an even classification of time-series data into clusters close to each other while maintaining robustness against outliers. Moreover, its applicability extends to time-series images. We compared the proposed method with a standard existing method for clustering an online distributed dataset. In the existing method, the distances between each data are calculated based on the Euclidean distance metric, and the clustering is performed using the k-means++ method. We found that both methods yielded comparable results. Furthermore, the proposed method was applied to a flow measurement image dataset containing noticeable noise with a signal-to-noise ratio of approximately 1. Despite a small signal variation of approximately 2%, the proposed method effectively classified the data without any overlap among the clusters. In contrast, the clustering results by the standard existing method and the conditional image sampling (CIS) method, a specialized technique for flow measurement data, displayed overlapping clusters. Consequently, the proposed method provides better results than the other two methods, demonstrating its potential as a superior clustering method.
We present a novel Graph-based debiasing Algorithm for Underreported Data (GRAUD) aiming at an efficient joint estimation of event counts and discovery probabilities across spatial or graphical structures. This innovative method provides a solution to problems seen in fields such as policing data and COVID-$19$ data analysis. Our approach avoids the need for strong priors typically associated with Bayesian frameworks. By leveraging the graph structures on unknown variables $n$ and $p$, our method debiases the under-report data and estimates the discovery probability at the same time. We validate the effectiveness of our method through simulation experiments and illustrate its practicality in one real-world application: police 911 calls-to-service data.
The objective of clusterability evaluation is to check whether a clustering structure exists within the data set. As a crucial yet often-overlooked issue in cluster analysis, it is essential to conduct such a test before applying any clustering algorithm. If a data set is unclusterable, any subsequent clustering analysis would not yield valid results. Despite its importance, the majority of existing studies focus on numerical data, leaving the clusterability evaluation issue for categorical data as an open problem. Here we present TestCat, a testing-based approach to assess the clusterability of categorical data in terms of an analytical $p$-value. The key idea underlying TestCat is that clusterable categorical data possess many strongly correlated attribute pairs and hence the sum of chi-squared statistics of all attribute pairs is employed as the test statistic for $p$-value calculation. We apply our method to a set of benchmark categorical data sets, showing that TestCat outperforms those solutions based on existing clusterability evaluation methods for numeric data. To the best of our knowledge, our work provides the first way to effectively recognize the clusterability of categorical data in a statistically sound manner.
Mixtures of factor analysers (MFA) models represent a popular tool for finding structure in data, particularly high-dimensional data. While in most applications the number of clusters, and especially the number of latent factors within clusters, is mostly fixed in advance, in the recent literature models with automatic inference on both the number of clusters and latent factors have been introduced. The automatic inference is usually done by assigning a nonparametric prior and allowing the number of clusters and factors to potentially go to infinity. The MCMC estimation is performed via an adaptive algorithm, in which the parameters associated with the redundant factors are discarded as the chain moves. While this approach has clear advantages, it also bears some significant drawbacks. Running a separate factor-analytical model for each cluster involves matrices of changing dimensions, which can make the model and programming somewhat cumbersome. In addition, discarding the parameters associated with the redundant factors could lead to a bias in estimating cluster covariance matrices. At last, identification remains problematic for infinite factor models. The current work contributes to the MFA literature by providing for the automatic inference on the number of clusters and the number of cluster-specific factors while keeping both cluster and factor dimensions finite. This allows us to avoid many of the aforementioned drawbacks of the infinite models. For the automatic inference on the cluster structure, we employ the dynamic mixture of finite mixtures (MFM) model. Automatic inference on cluster-specific factors is performed by assigning an exchangeable shrinkage process (ESP) prior to the columns of the factor loading matrices. The performance of the model is demonstrated on several benchmark data sets as well as real data applications.
In this paper, we propose a one-stage online clustering method called Contrastive Clustering (CC) which explicitly performs the instance- and cluster-level contrastive learning. To be specific, for a given dataset, the positive and negative instance pairs are constructed through data augmentations and then projected into a feature space. Therein, the instance- and cluster-level contrastive learning are respectively conducted in the row and column space by maximizing the similarities of positive pairs while minimizing those of negative ones. Our key observation is that the rows of the feature matrix could be regarded as soft labels of instances, and accordingly the columns could be further regarded as cluster representations. By simultaneously optimizing the instance- and cluster-level contrastive loss, the model jointly learns representations and cluster assignments in an end-to-end manner. Extensive experimental results show that CC remarkably outperforms 17 competitive clustering methods on six challenging image benchmarks. In particular, CC achieves an NMI of 0.705 (0.431) on the CIFAR-10 (CIFAR-100) dataset, which is an up to 19\% (39\%) performance improvement compared with the best baseline.