Computational strategies for dissecting the high-dimensional complexity of adaptive immune repertoires

The adaptive immune system recognizes antigens via an immense array of antigen-binding antibodies and T-cell receptors, the immune repertoire. The interrogation of immune repertoires is of high relevance for understanding the adaptive immune response in disease and infection (e.g., autoimmunity, cancer, HIV). Adaptive immune receptor repertoire sequencing (AIRR-seq) has driven the quantitative and molecular-level profiling of immune repertoires thereby revealing the high-dimensional complexity of the immune receptor sequence landscape. Several methods for the computational and statistical analysis of large-scale AIRR-seq data have been developed to resolve immune repertoire complexity in order to understand the dynamics of adaptive immunity. Here, we review the current research on (i) diversity, (ii) clustering and network, (iii) phylogenetic and (iv) machine learning methods applied to dissect, quantify and compare the architecture, evolution, and specificity of immune repertoires. We summarize outstanding questions in computational immunology and propose future directions for systems immunology towards coupling AIRR-seq with the computational discovery of immunotherapeutics, vaccines, and immunodiagnostics.Comment: 27 pages, 2 figure

Observer-biased bearing condition monitoring: from fault detection to multi-fault classification

Bearings are simultaneously a fundamental component and one of the principal causes of failure in rotary machinery. The work focuses on the employment of fuzzy clustering for bearing condition monitoring, i.e., fault detection and classification. The output of a clustering algorithm is a data partition (a set of clusters) which is merely a hypothesis on the structure of the data. This hypothesis requires validation by domain experts. In general, clustering algorithms allow a limited usage of domain knowledge on the cluster formation process. In this study, a novel method allowing for interactive clustering in bearing fault diagnosis is proposed. The method resorts to shrinkage to generalize an otherwise unbiased clustering algorithm into a biased one. In this way, the method provides a natural and intuitive way to control the cluster formation process, allowing for the employment of domain knowledge to guiding it. The domain expert can select a desirable level of granularity ranging from fault detection to classification of a variable number of faults and can select a specific region of the feature space for detailed analysis. Moreover, experimental results under realistic conditions show that the adopted algorithm outperforms the corresponding unbiased algorithm (fuzzy c-means) which is being widely used in this type of problems. (C) 2016 Elsevier Ltd. All rights reserved.Grant number: 145602

A Collection of Challenging Optimization Problems in Science, Engineering and Economics

Function optimization and finding simultaneous solutions of a system of nonlinear equations (SNE) are two closely related and important optimization problems. However, unlike in the case of function optimization in which one is required to find the global minimum and sometimes local minima, a database of challenging SNEs where one is required to find stationary points (extrama and saddle points) is not readily available. In this article, we initiate building such a database of important SNE (which also includes related function optimization problems), arising from Science, Engineering and Economics. After providing a short review of the most commonly used mathematical and computational approaches to find solutions of such systems, we provide a preliminary list of challenging problems by writing the Mathematical formulation down, briefly explaning the origin and importance of the problem and giving a short account on the currently known results, for each of the problems. We anticipate that this database will not only help benchmarking novel numerical methods for solving SNEs and function optimization problems but also will help advancing the corresponding research areas.Comment: Accepted as an invited contribution to the special session on Evolutionary Computation for Nonlinear Equation Systems at the 2015 IEEE Congress on Evolutionary Computation (at Sendai International Center, Sendai, Japan, from 25th to 28th May, 2015.

Delay Parameter Selection in Permutation Entropy Using Topological Data Analysis

Permutation Entropy (PE) is a powerful tool for quantifying the predictability of a sequence which includes measuring the regularity of a time series. Despite its successful application in a variety of scientific domains, PE requires a judicious choice of the delay parameter $\tau$. While another parameter of interest in PE is the motif dimension $n$, Typically $n$ is selected between $4$ and $8$ with $5$ or $6$ giving optimal results for the majority of systems. Therefore, in this work we focus solely on choosing the delay parameter. Selecting $\tau$ is often accomplished using trial and error guided by the expertise of domain scientists. However, in this paper, we show that persistent homology, the flag ship tool from Topological Data Analysis (TDA) toolset, provides an approach for the automatic selection of $\tau$. We evaluate the successful identification of a suitable $\tau$ from our TDA-based approach by comparing our results to a variety of examples in published literature

3D printing of optical materials: an investigation of the microscopic properties

3D printing technologies are currently enabling the fabrication of objects with complex architectures and tailored properties. In such framework, the production of 3D optical structures, which are typically based on optical transparent matrices, optionally doped with active molecular compounds and nanoparticles, is still limited by the poor uniformity of the printed structures. Both bulk inhomogeneities and surface roughness of the printed structures can negatively affect the propagation of light in 3D printed optical components. Here we investigate photopolymerization-based printing processes by laser confocal microscopy. The experimental method we developed allows the printing process to be investigated in-situ, with microscale spatial resolution, and in real-time. The modelling of the photo-polymerization kinetics allows the different polymerization regimes to be investigated and the influence of process variables to be rationalized. In addition, the origin of the factors limiting light propagation in printed materials are rationalized, with the aim of envisaging effective experimental strategies to improve optical properties of printed materials.Comment: 8 pages, 3 figure