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Materials with bespoke properties have long been identified by computational searches, and their experimental realisation is now coming within reach through autonomous laboratories. Scattering experiments are central to verifying the atomic…
The use of machine learning algorithms is an attractive way to produce very fast detector simulations for scattering reactions that can otherwise be computationally expensive. Here we develop a factorised approach where we deal with each…
The clustering of bounded data presents unique challenges in statistical analysis due to the constraints imposed on the data values. This paper introduces a novel method for model-based clustering specifically designed for bounded data.…
The aim of this work is to propose a meta-algorithm for automatic classification in the presence of discrete binary classes. Classifier learning in the presence of overlapping class distributions is a challenging problem in machine…
Thin nanomaterials are key constituents of modern quantum technologies and materials research. Identifying specimens of these materials with properties required for the development of state of the art quantum devices is usually a complex…
Analog quantum computation offers a route to machine learning using controllable physical dynamics as a computational resource. However, many existing approaches rely on task-specific protocols or observables that are difficult to access…
Feature selection methods have an important role on the readability of data and the reduction of complexity of learning algorithms. In recent years, a variety of efforts are investigated on feature selection problems based on unsupervised…
Subset selection is an important component in evolutionary multiobjective optimization (EMO) algorithms. Clustering, as a classic method to group similar data points together, has been used for subset selection in some fields. However,…
We employ an evolutionary algorithm to automatically optimize different stages of a cold atom experiment without human intervention. This approach closes the loop between computer based experimental control systems and automatic real time…
In this thesis, we propose several modelling strategies to tackle evolving data in different contexts. In the framework of static clustering, we start by introducing a soft kernel spectral clustering (SKSC) algorithm, which can better deal…
We here introduce a novel classification approach adopted from the nonlinear model identification framework, which jointly addresses the feature selection and classifier design tasks. The classifier is constructed as a polynomial expansion…
A modification of the Random Forest algorithm for the categorization of traffic situations is introduced in this paper. The procedure yields an unsupervised machine learning method. The algorithm generates a proximity matrix which contains…
We present a fully automatic method for music classification, based only on compression of strings that represent the music pieces. The method uses no background knowledge about music whatsoever: it is completely general and can, without…
We present a data segmentation method based on a first-order density-induced consensus protocol. We provide a mathematically rigorous analysis of the consensus model leading to the stopping criteria of the data segmentation algorithm. To…
In this work we present a system for the automatic classification of the light curves of eclipsing binaries. This system is based on a classification scheme that aims to separate eclipsing binary sistems according to their geometrical…
Ab initio atomic relaxations often take large numbers of steps and long times to converge. An atomic relaxation method based on on-the-flight force learning and a corresponding new curved line minimization algorithm is presented to…
Unsupervised clustering, also known as natural clustering, stands for the classification of data according to their similarities. Here we study this problem from the perspective of complex networks. Mapping the description of data…
Semi-supervised clustering seeks to augment traditional clustering methods by incorporating side information provided via human expertise in order to increase the semantic meaningfulness of the resulting clusters. However, most current…
Random dynamics in isolated quantum systems is of practical use in quantum information and is of theoretical interest in fundamental physics. Despite a large number of theoretical studies, it has not been addressed how random dynamics can…
Convolutional Neural Networks (CNNs) have gained a remarkable success on many image classification tasks in recent years. However, the performance of CNNs highly relies upon their architectures. For most state-of-the-art CNNs, their…