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Clustering analysis is fundamental in single-cell RNA sequencing (scRNA-seq) data analysis for elucidating cellular heterogeneity and diversity. Recent graph-based scRNA-seq clustering methods, particularly graph neural networks (GNNs),…
Objective: Modelling the associations from high-throughput experimental molecular data has provided unprecedented insights into biological pathways and signalling mechanisms. Graphical models and networks have especially proven to be useful…
Anomaly detection (such as telecom fraud detection and medical image detection) has attracted the increasing attention of people. The complex interaction between multiple entities widely exists in the network, which can reflect specific…
We point out that single electron charging effects such as Coulomb Blockade (CB) and high-bias staircases play a crucial role in transport through single ultrashort molecules. A treatment of Coulomb Blockade through a prototypical molecule,…
We propose a new method to define anomaly scores and apply this to particle physics collider events. Anomalies can be either rare, meaning that these events are a minority in the normal dataset, or different, meaning they have values that…
Like fingerprints, cortical folding patterns are unique to each brain even though they follow a general species-specific organization. Some folding patterns have been linked with neurodevelopmental disorders. However, due to the high…
In many real-world contexts, such as social or transport networks, data exhibit both structural connectivity and node-level attributes. For example, roads in a transport network can be characterized not only by their connectivity but also…
In this paper, we present a novel method for co-clustering, an unsupervised learning approach that aims at discovering homogeneous groups of data instances and features by grouping them simultaneously. The proposed method uses the entropy…
Single-molecule junctions - nanoscale systems where a molecule is connected to metallic electrodes - offer a unique platform for studying charge, spin and energy transport in non-equilibrium many-body quantum systems, with few parallels in…
Recently there has been much interest in graph-based learning, with applications in collaborative filtering for recommender networks, link prediction for social networks and fraud detection. These networks can consist of millions of…
Graphs are commonly used to represent and visualize causal relations. For a small number of variables, this approach provides a succinct and clear view of the scenario at hand. As the number of variables under study increases, the graphical…
We study causal discovery from a single observed sequence of discrete events generated by a stochastic process, as encountered in vehicle logs, manufacturing systems, or patient trajectories. This regime is particularly challenging due to…
We introduce a novel gene regulatory network (GRN) inference method that integrates optimal transport (OT) with a deep-learning structural inference model. Advances in next-generation sequencing enable detailed yet destructive gene…
Single particle tracking allows probing how biomolecules interact physically with their natural environments. A fundamental challenge when analysing recorded single particle trajectories is the inverse problem of inferring the physical…
Single-file transport refers to the motion of particles in a narrow channel, such that they cannot bypass each other. This constraint leads to strong correlations between the particles, described by correlation profiles, which measure the…
Graph clustering is an unsupervised machine learning method that partitions the nodes in a graph into different groups. Despite achieving significant progress in exploiting both attributed and structured data information, graph clustering…
We propose a methodology to explore and measure the pairwise correlations that exist between variables in a dataset. The methodology leverages copulas for encoding dependence between two variables, state-of-the-art optimal transport for…
Missing data in single-cell sequencing datasets poses significant challenges for extracting meaningful biological insights. However, existing imputation approaches, which often assume uniformity and data completeness, struggle to address…
A new method that accurately describes strongly correlated states and captures dynamical correlation is presented. It is derived as a modification of coupled-cluster theory with single and double excitations (CCSD) through consideration of…
This thesis investigates the mechanically controlled break junctions, with a particular emphasis on elucidating the behaviour of molecular currents at room temperature. The core of this experimental investigation involves a detailed…