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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…
Clustering large spatial databases is an important problem, which tries to find the densely populated regions in a spatial area to be used in data mining, knowledge discovery, or efficient information retrieval. However most algorithms have…
Clustering attempts to partition data instances into several distinctive groups, while the similarities among data belonging to the common partition can be principally reserved. Furthermore, incomplete data frequently occurs in many…
Modern online mass spectrometry generates multi-terabyte data streams critical for understanding Earth's environmental systems. However, extracting actionable chemical insights from these repositories is impeded by a computational…
Scalability issue plays a crucial role in productionizing modern recommender systems. Even lightweight architectures may suffer from high computational overload due to intermediate calculations, limiting their practicality in real-world…
Computer vision and machine learning tools offer an exciting new way for automatically analyzing and categorizing information from complex computer simulations. Here we design an ensemble machine learning framework that can independently…
Uncertainty quantification (UQ) has received much attention in the literature in the past decade. In this context, Sparse Polynomial chaos expansions (PCE) have been shown to be among the most promising methods because of their ability to…
The coupled cluster method (CCM) is a method of quantum many-body theory that may provide accurate results for the ground-state properties of lattice quantum spin systems even in the presence of strong frustration and for lattices of…
This paper presents the first time implementation of the eXtended Finite Element Method (XFEM) in the general purpose commercial software COMSOL Multiphysics. An enrichment strategy is proposed, consistent with the structure of the…
The atomic cluster expansion (ACE) (Drautz, 2019) yields a highly efficient and intepretable parameterisation of symmetric polynomials that has achieved great success in modelling properties of many-particle systems. In the present work we…
The study of alloys using computational methods has been a difficult task due to the usually unknown stoichiometry and local atomic ordering of the different structures experimentally. In order to combat this, first-principles methods have…
Text clustering, as one of the most fundamental challenges in unsupervised learning, aims at grouping semantically similar text segments without relying on human annotations. With the rapid development of deep learning, deep clustering has…
Polynomial chaos expansions (PCE) are well-suited to quantifying uncertainty in models parameterized by independent random variables. The assumption of independence leads to simple strategies for evaluating PCE coefficients. In contrast,…
An exciting development over the past few decades has been the use of high-throughput computational screening as a means of identifying promising candidate materials for a variety of structural or functional properties. Experimentally, it…
Disordered materials are attracting considerable attention because of their enhanced properties compared to their ordered analogs, making them particularly suitable for high-temperature applications. The feasibility of incorporating these…
Clustering has become an indispensable tool in the presence of increasingly large and complex data sets. Most clustering algorithms depend, either explicitly or implicitly, on the sampled density. However, estimated densities are fragile…
We introduce Deep-CEE (Deep Learning for Galaxy Cluster Extraction and Evaluation), a proof of concept for a novel deep learning technique, applied directly to wide-field colour imaging to search for galaxy clusters, without the need for…
Clustering algorithms are fundamental tools across many fields, with density-based methods offering particular advantages in identifying arbitrarily shaped clusters and handling noise. However, their effectiveness is often limited by the…
Cross-section data unavailability for non-water materials in track structure simulation software necessitates nanodosimetric quantity transformation from water to other materials. Cluster dose calculation transformation initially employed…
We study the problem of applying spectral clustering to cluster multi-scale data, which is data whose clusters are of various sizes and densities. Traditional spectral clustering techniques discover clusters by processing a similarity…