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Motivated by the ever-increasing demands for limited communication bandwidth and low-power consumption, we propose a new methodology, named joint Variational Autoencoders with Bernoulli mixture models (VAB), for performing clustering in the…
Most real optimization problems are defined over a mixed search space where the variables are both discrete and continuous. In engineering applications, the objective function is typically calculated with a numerically costly black-box…
Gaussian Mixture Models (GMMs) range among the most frequently used models in machine learning. However, training large, general GMMs becomes computationally prohibitive for datasets that have many data points $N$ of high-dimensionality…
Many physical systems evolve on matrix Lie groups and mixture filtering designed for such manifolds represent an inevitable tool for challenging estimation problems. However, mixture filtering faces the issue of a constantly growing number…
The area of constrained clustering has been extensively explored by researchers and used by practitioners. Constrained clustering formulations exist for popular algorithms such as k-means, mixture models, and spectral clustering but have…
Bayesian non-parametric methods based on Dirichlet process mixtures have seen tremendous success in various domains and are appealing in being able to borrow information by clustering samples that share identical parameters. However, such…
Spectral induced polarization (SIP) is a geophysical method used to characterize subsurface materials. It measures the frequency-dependent complex resistivity of rocks and soils through the application of a small alternating current in the…
We propose Tree Variational Autoencoder (TreeVAE), a new generative hierarchical clustering model that learns a flexible tree-based posterior distribution over latent variables. TreeVAE hierarchically divides samples according to their…
A model involving Gaussian processes (GPs) is introduced to simultaneously handle multi-task learning, clustering, and prediction for multiple functional data. This procedure acts as a model-based clustering method for functional data as…
The study of the rare transitions that take place between long lived metastable states is a major challenge in molecular dynamics simulations. Many of the methods suggested to address this problem rely on the identification of the slow…
Hierarchical probabilistic models, such as mixture models, are used for cluster analysis. These models have two types of variables: observable and latent. In cluster analysis, the latent variable is estimated, and it is expected that…
Deep learning approaches process data in a layer-by-layer way with intermediate (or latent) features. We aim at designing a general solution to optimize the latent manifolds to improve the performance on classification, segmentation,…
In the contrastive analysis (CA) setting, machine learning practitioners are specifically interested in discovering patterns that are enriched in a target dataset as compared to a background dataset generated from sources of variation…
Generative Adversarial networks (GANs) have obtained remarkable success in many unsupervised learning tasks and unarguably, clustering is an important unsupervised learning problem. While one can potentially exploit the latent-space…
Biased enhanced sampling methods utilizing collective variables (CVs) are powerful tools for sampling conformational ensembles. Due to high intrinsic dimensions, efficiently generating conformational ensembles for complex systems requires…
The conditional extremes (CE) framework has proven useful for analysing the joint tail behaviour of random vectors. However, when applied across many locations or variables, it can be difficult to interpret or compare the resulting extremal…
Bayesian methods for learning Gaussian graphical models offer a principled framework for quantifying model uncertainty and incorporating prior knowledge. However, their scalability is constrained by the computational cost of jointly…
Efficient methods for large-scale security constrained unit commitment (SCUC) problems have long been an important research topic and a challenge especially in market clearing computation. For large-scale SCUC, the Lagrangian relaxation…
The dynamics associated with the time series of the iteration scheme of coupled cluster theory has been analysed. The phase space analysis indicates the presence of a few significant cluster amplitudes, mostly involving valence excitations,…
Traditional clustering techniques often rely solely on similarity in the input data, limiting their ability to capture structural or semantic constraints that are critical in many domains. We introduce the Domain Aware Rule Triggered…