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We introduce a novel criterion in clustering that seeks clusters with limited range of values associated with each cluster's elements. In clustering or classification the objective is to partition a set of objects into subsets, called…
Cross-validation plays a fundamental role in Machine Learning, enabling robust evaluation of model performance and preventing overestimation on training and validation data. However, one of its drawbacks is the potential to create data…
Clustering and estimating cluster means are core problems in statistics and machine learning, with k-means and Expectation Maximization (EM) being two widely used algorithms. In this work, we provide a theoretical explanation for the…
A support vector machine (SVM) is an algorithm that finds a hyperplane which optimally separates labeled data points in $\mathbb{R}^n$ into positive and negative classes. The data points on the margin of this separating hyperplane are…
Machine learning is a vital part of many real-world systems, but several concerns remain about the lack of interpretability, explainability and robustness of black-box AI systems. Concept Bottleneck Models (CBM) address some of these…
Clustering is a popular machine learning technique for data mining that can process and analyze datasets to automatically reveal sample distribution patterns. Since the ubiquitous categorical data naturally lack a well-defined metric space…
Unsupervised machine learning methods are used to identify structural changes using the melting point transition in classical molecular dynamics simulations as an example application of the approach. Dimensionality reduction and clustering…
We establish a generic theoretical tool to construct probabilistic bounds for algorithms where the output is a subset of objects from an initial pool of candidates (or more generally, a probability distribution on said pool). This general…
We propose a graph-based clustering method based on Cluster Catch Digraphs (CCDs) that extends their applicability to moderate-dimensional data settings. Existing CCD variants, such as RK-CCDs, rely on spatial randomness tests based on…
Estimating the number of communities is a fundamental problem in network analysis under the stochastic block model (SBM). In this paper, we study penalized estimators for this task based on normalized likelihood criteria. We show that a…
The Minimal Learning Machine (MLM) is a nonlinear supervised approach based on learning a linear mapping between distance matrices computed in the input and output data spaces, where distances are calculated using a subset of points called…
Community detection is a fundamental unsupervised learning problem for unlabeled networks which has a broad range of applications. Many community detection algorithms assume that the number of clusters $r$ is known apriori. In this paper,…
In this paper, we propose MADCluster, a novel model-agnostic anomaly detection framework utilizing self-supervised clustering. MADCluster is applicable to various deep learning architectures and addresses the 'hypersphere collapse' problem…
We develop a general method for estimating a finite mixture of non-normalized models. Here, a non-normalized model is defined to be a parametric distribution with an intractable normalization constant. Existing methods for estimating…
We propose a theoretical framework to analyze semi-supervised classification under the low density separation assumption in a high-dimensional regime. In particular, we introduce QLDS, a linear classification model, where the low density…
Many of the proposed machine learning (ML) based network intrusion detection systems (NIDSs) achieve near perfect detection performance when evaluated on synthetic benchmark datasets. Though, there is no record of if and how these results…
This research investigates how Machine Learning (ML) algorithms can assist in workload allocation strategies by detecting tasks with node affinity operators (referred to as constraint operators), which constrain their execution to a limited…
We consider the situation where the observed sample contains some observations whose class of origin is known (that is, they are classified with respect to the g underlying classes of interest), and where the remaining observations in the…
In this paper, we investigate the problem of classifying feature vectors with mutually independent but non-identically distributed elements. First, we show the importance of this problem. Next, we propose a classifier and derive an…
The combination of Markov state modeling (MSM) and molecular dynamics (MD) simulations has been shown in recent years to be a valuable approach to unravel the slow processes of molecular systems with increasing complexity. While the…