Present perspectives on the automated classification of the G-protein coupled receptors (GPCRs) at the protein sequence level

The G-protein coupled receptors--or GPCRs--comprise simultaneously one of the largest and one of the most multi-functional protein families known to modern-day molecular bioscience. From a drug discovery and pharmaceutical industry perspective, the GPCRs constitute one of the most commercially and economically important groups of proteins known. The GPCRs undertake numerous vital metabolic functions and interact with a hugely diverse range of small and large ligands. Many different methodologies have been developed to efficiently and accurately classify the GPCRs. These range from motif-based techniques to machine learning as well as a variety of alignment-free techniques based on the physiochemical properties of sequences. We review here the available methodologies for the classification of GPCRs. Part of this work focuses on how we have tried to build the intrinsically hierarchical nature of sequence relations, implicit within the family, into an adaptive approach to classification. Importantly, we also allude to some of the key innate problems in developing an effective approach to classifying the GPCRs: the lack of sequence similarity between the six classes that comprise the GPCR family and the low sequence similarity to other family members evinced by many newly revealed members of the family.

Using secondary knowledge to support decision tree classification of retrospective clinical data

Retrospective clinical data presents many challenges for data mining and machine learning. The transcription of patient records from paper charts and subsequent manipulation of data often results in high volumes of noise as well as a loss of other important information. In addition, such datasets often fail to represent expert medical knowledge and reasoning in any explicit manner. In this research we describe applying data mining methods to retrospective clinical data to build a prediction model for asthma exacerbation severity for pediatric patients in the emergency department. Difficulties in building such a model forced us to investigate alternative strategies for analyzing and processing retrospective data. This paper describes this process together with an approach to mining retrospective clinical data by incorporating formalized external expert knowledge (secondary knowledge sources) into the classification task. This knowledge is used to partition the data into a number of coherent sets, where each set is explicitly described in terms of the secondary knowledge source. Instances from each set are then classified in a manner appropriate for the characteristics of the particular set. We present our methodology and outline a set of experiential results that demonstrate some advantages and some limitations of our approach. © 2008 Springer-Verlag Berlin Heidelberg.

Proteomic applications of automated GPCR classification

The G-protein coupled receptor (GPCR) superfamily fulfils various metabolic functions and interacts with a diverse range of ligands. There is a lack of sequence similarity between the six classes that comprise the GPCR superfamily. Moreover, most novel GPCRs found have low sequence similarity to other family members which makes it difficult to infer properties from related receptors. Many different approaches have been taken towards developing efficient and accurate methods for GPCR classification, ranging from motif-based systems to machine learning as well as a variety of alignment-free techniques based on the physiochemical properties of their amino acid sequences. This review describes the inherent difficulties in developing a GPCR classification algorithm and includes techniques previously employed in this area.

A Comparative Analysis of Predictive Learning Algorithms on High-Dimensional Microarray Cancer Data

This research evaluates pattern recognition techniques on a subclass of big data where the dimensionality of the input space (p) is much larger than the number of observations (n). Specifically, we evaluate massive gene expression microarray cancer data where the ratio κ is less than one. We explore the statistical and computational challenges inherent in these high dimensional low sample size (HDLSS) problems and present statistical machine learning methods used to tackle and circumvent these difficulties. Regularization and kernel algorithms were explored in this research using seven datasets where κ < 1. These techniques require special attention to tuning necessitating several extensions of cross-validation to be investigated to support better predictive performance. While no single algorithm was universally the best predictor, the regularization technique produced lower test errors in five of the seven datasets studied.

Learning user and product distributed representations using a sequence model for sentiment analysis

In product reviews, it is observed that the distribution of polarity ratings over reviews written by different users or evaluated based on different products are often skewed in the real world. As such, incorporating user and product information would be helpful for the task of sentiment classification of reviews. However, existing approaches ignored the temporal nature of reviews posted by the same user or evaluated on the same product. We argue that the temporal relations of reviews might be potentially useful for learning user and product embedding and thus propose employing a sequence model to embed these temporal relations into user and product representations so as to improve the performance of document-level sentiment analysis. Specifically, we first learn a distributed representation of each review by a one-dimensional convolutional neural network. Then, taking these representations as pretrained vectors, we use a recurrent neural network with gated recurrent units to learn distributed representations of users and products. Finally, we feed the user, product and review representations into a machine learning classifier for sentiment classification. Our approach has been evaluated on three large-scale review datasets from the IMDB and Yelp. Experimental results show that: (1) sequence modeling for the purposes of distributed user and product representation learning can improve the performance of document-level sentiment classification; (2) the proposed approach achieves state-of-The-Art results on these benchmark datasets.

Learning from Geometry

Subspaces and manifolds are two powerful models for high dimensional signals. Subspaces model linear correlation and are a good fit to signals generated by physical systems, such as frontal images of human faces and multiple sources impinging at an antenna array. Manifolds model sources that are not linearly correlated, but where signals are determined by a small number of parameters. Examples are images of human faces under different poses or expressions, and handwritten digits with varying styles. However, there will always be some degree of model mismatch between the subspace or manifold model and the true statistics of the source. This dissertation exploits subspace and manifold models as prior information in various signal processing and machine learning tasks.

A near-low-rank Gaussian mixture model measures proximity to a union of linear or affine subspaces. This simple model can effectively capture the signal distribution when each class is near a subspace. This dissertation studies how the pairwise geometry between these subspaces affects classification performance. When model mismatch is vanishingly small, the probability of misclassification is determined by the product of the sines of the principal angles between subspaces. When the model mismatch is more significant, the probability of misclassification is determined by the sum of the squares of the sines of the principal angles. Reliability of classification is derived in terms of the distribution of signal energy across principal vectors. Larger principal angles lead to smaller classification error, motivating a linear transform that optimizes principal angles. This linear transformation, termed TRAIT, also preserves some specific features in each class, being complementary to a recently developed Low Rank Transform (LRT). Moreover, when the model mismatch is more significant, TRAIT shows superior performance compared to LRT.

The manifold model enforces a constraint on the freedom of data variation. Learning features that are robust to data variation is very important, especially when the size of the training set is small. A learning machine with large numbers of parameters, e.g., deep neural network, can well describe a very complicated data distribution. However, it is also more likely to be sensitive to small perturbations of the data, and to suffer from suffer from degraded performance when generalizing to unseen (test) data.

From the perspective of complexity of function classes, such a learning machine has a huge capacity (complexity), which tends to overfit. The manifold model provides us with a way of regularizing the learning machine, so as to reduce the generalization error, therefore mitigate overfiting. Two different overfiting-preventing approaches are proposed, one from the perspective of data variation, the other from capacity/complexity control. In the first approach, the learning machine is encouraged to make decisions that vary smoothly for data points in local neighborhoods on the manifold. In the second approach, a graph adjacency matrix is derived for the manifold, and the learned features are encouraged to be aligned with the principal components of this adjacency matrix. Experimental results on benchmark datasets are demonstrated, showing an obvious advantage of the proposed approaches when the training set is small.

Stochastic optimization makes it possible to track a slowly varying subspace underlying streaming data. By approximating local neighborhoods using affine subspaces, a slowly varying manifold can be efficiently tracked as well, even with corrupted and noisy data. The more the local neighborhoods, the better the approximation, but the higher the computational complexity. A multiscale approximation scheme is proposed, where the local approximating subspaces are organized in a tree structure. Splitting and merging of the tree nodes then allows efficient control of the number of neighbourhoods. Deviation (of each datum) from the learned model is estimated, yielding a series of statistics for anomaly detection. This framework extends the classical {\em changepoint detection} technique, which only works for one dimensional signals. Simulations and experiments highlight the robustness and efficacy of the proposed approach in detecting an abrupt change in an otherwise slowly varying low-dimensional manifold.

N-opcode analysis for android malware classification and categorization

Malware detection is a growing problem particularly on the Android mobile platform due to its increasing popularity and accessibility to numerous third party app markets. This has also been made worse by the increasingly sophisticated detection avoidance techniques employed by emerging malware families. This calls for more effective techniques for detection and classification of Android malware. Hence, in this paper we present an n-opcode analysis based approach that utilizes machine learning to classify and categorize Android malware. This approach enables automated feature discovery that eliminates the need for applying expert or domain knowledge to define the needed features. Our experiments on 2520 samples that were performed using up to 10-gram opcode features showed that an f-measure of 98% is achievable using this approach.

Sentiment classification with case-base approach

L’augmentation de la croissance des réseaux, des blogs et des utilisateurs des sites d’examen sociaux font d’Internet une énorme source de données, en particulier sur la façon dont les gens pensent, sentent et agissent envers différentes questions. Ces jours-ci, les opinions des gens jouent un rôle important dans la politique, l’industrie, l’éducation, etc. Alors, les gouvernements, les grandes et petites industries, les instituts universitaires, les entreprises et les individus cherchent à étudier des techniques automatiques fin d’extraire les informations dont ils ont besoin dans les larges volumes de données. L’analyse des sentiments est une véritable réponse à ce besoin. Elle est une application de traitement du langage naturel et linguistique informatique qui se compose de techniques de pointe telles que l’apprentissage machine et les modèles de langue pour capturer les évaluations positives, négatives ou neutre, avec ou sans leur force, dans des texte brut. Dans ce mémoire, nous étudions une approche basée sur les cas pour l’analyse des sentiments au niveau des documents. Notre approche basée sur les cas génère un classificateur binaire qui utilise un ensemble de documents classifies, et cinq lexiques de sentiments différents pour extraire la polarité sur les scores correspondants aux commentaires. Puisque l’analyse des sentiments est en soi une tâche dépendante du domaine qui rend le travail difficile et coûteux, nous appliquons une approche «cross domain» en basant notre classificateur sur les six différents domaines au lieu de le limiter à un seul domaine. Pour améliorer la précision de la classification, nous ajoutons la détection de la négation comme une partie de notre algorithme. En outre, pour améliorer la performance de notre approche, quelques modifications innovantes sont appliquées. Il est intéressant de mentionner que notre approche ouvre la voie à nouveaux développements en ajoutant plus de lexiques de sentiment et ensembles de données à l’avenir.

Detecting social patterns within 20th century documentary photos: a deep learning based approach

The job of a historian is to understand what happened in the past, resorting in many cases to written documents as a firsthand source of information. Text, however, does not amount to the only source of knowledge. Pictorial representations, in fact, have also accompanied the main events of the historical timeline. In particular, the opportunity of visually representing circumstances has bloomed since the invention of photography, with the possibility of capturing in real-time the occurrence of a specific events. Thanks to the widespread use of digital technologies (e.g. smartphones and digital cameras), networking capabilities and consequent availability of multimedia content, the academic and industrial research communities have developed artificial intelligence (AI) paradigms with the aim of inferring, transferring and creating new layers of information from images, videos, etc. Now, while AI communities are devoting much of their attention to analyze digital images, from an historical research standpoint more interesting results may be obtained analyzing analog images representing the pre-digital era. Within the aforementioned scenario, the aim of this work is to analyze a collection of analog documentary photographs, building upon state-of-the-art deep learning techniques. In particular, the analysis carried out in this thesis aims at producing two following results: (a) produce the date of an image, and, (b) recognizing its background socio-cultural context,as defined by a group of historical-sociological researchers. Given these premises, the contribution of this work amounts to: (i) the introduction of an historical dataset including images of “Family Album” among all the twentieth century, (ii) the introduction of a new classification task regarding the identification of the socio-cultural context of an image, (iii) the exploitation of different deep learning architectures to perform the image dating and the image socio-cultural context classification.

Supporting Scientific Research Through Machine and Deep Learning: Fluorescence Microscopy and Operational Intelligence Use Cases

Although the debate of what data science is has a long history and has not reached a complete consensus yet, Data Science can be summarized as the process of learning from data. Guided by the above vision, this thesis presents two independent data science projects developed in the scope of multidisciplinary applied research. The first part analyzes fluorescence microscopy images typically produced in life science experiments, where the objective is to count how many marked neuronal cells are present in each image. Aiming to automate the task for supporting research in the area, we propose a neural network architecture tuned specifically for this use case, cell ResUnet (c-ResUnet), and discuss the impact of alternative training strategies in overcoming particular challenges of our data. The approach provides good results in terms of both detection and counting, showing performance comparable to the interpretation of human operators. As a meaningful addition, we release the pre-trained model and the Fluorescent Neuronal Cells dataset collecting pixel-level annotations of where neuronal cells are located. In this way, we hope to help future research in the area and foster innovative methodologies for tackling similar problems. The second part deals with the problem of distributed data management in the context of LHC experiments, with a focus on supporting ATLAS operations concerning data transfer failures. In particular, we analyze error messages produced by failed transfers and propose a Machine Learning pipeline that leverages the word2vec language model and K-means clustering. This provides groups of similar errors that are presented to human operators as suggestions of potential issues to investigate. The approach is demonstrated on one full day of data, showing promising ability in understanding the message content and providing meaningful groupings, in line with previously reported incidents by human operators.

Development and characterization of deep learning techniques for neuroimaging data

Deep learning methods are extremely promising machine learning tools to analyze neuroimaging data. However, their potential use in clinical settings is limited because of the existing challenges of applying these methods to neuroimaging data. In this study, first a data leakage type caused by slice-level data split that is introduced during training and validation of a 2D CNN is surveyed and a quantitative assessment of the model’s performance overestimation is presented. Second, an interpretable, leakage-fee deep learning software written in a python language with a wide range of options has been developed to conduct both classification and regression analysis. The software was applied to the study of mild cognitive impairment (MCI) in patients with small vessel disease (SVD) using multi-parametric MRI data where the cognitive performance of 58 patients measured by five neuropsychological tests is predicted using a multi-input CNN model taking brain image and demographic data. Each of the cognitive test scores was predicted using different MRI-derived features. As MCI due to SVD has been hypothesized to be the effect of white matter damage, DTI-derived features MD and FA produced the best prediction outcome of the TMT-A score which is consistent with the existing literature. In a second study, an interpretable deep learning system aimed at 1) classifying Alzheimer disease and healthy subjects 2) examining the neural correlates of the disease that causes a cognitive decline in AD patients using CNN visualization tools and 3) highlighting the potential of interpretability techniques to capture a biased deep learning model is developed. Structural magnetic resonance imaging (MRI) data of 200 subjects was used by the proposed CNN model which was trained using a transfer learning-based approach producing a balanced accuracy of 71.6%. Brain regions in the frontal and parietal lobe showing the cerebral cortex atrophy were highlighted by the visualization tools.

Motor Unit Spike Trains Recontruction from sEMG Signals for Gesture Classification on a Low-Power Processing Platform

Hand gesture recognition based on surface electromyography (sEMG) signals is a promising approach for the development of intuitive human-machine interfaces (HMIs) in domains such as robotics and prosthetics. The sEMG signal arises from the muscles' electrical activity, and can thus be used to recognize hand gestures. The decoding from sEMG signals to actual control signals is non-trivial; typically, control systems map sEMG patterns into a set of gestures using machine learning, failing to incorporate any physiological insight. This master thesis aims at developing a bio-inspired hand gesture recognition system based on neuromuscular spike extraction rather than on simple pattern recognition. The system relies on a decomposition algorithm based on independent component analysis (ICA) that decomposes the sEMG signal into its constituent motor unit spike trains, which are then forwarded to a machine learning classifier. Since ICA does not guarantee a consistent motor unit ordering across different sessions, 3 approaches are proposed: 2 ordering criteria based on firing rate and negative entropy, and a re-calibration approach that allows the decomposition model to retain information about previous sessions. Using a multilayer perceptron (MLP), the latter approach results in an accuracy up to 99.4% in a 1-subject, 1-degree of freedom scenario. Afterwards, the decomposition and classification pipeline for inference is parallelized and profiled on the PULP platform, achieving a latency < 50 ms and an energy consumption < 1 mJ. Both the classification models tested (a support vector machine and a lightweight MLP) yielded an accuracy > 92% in a 1-subject, 5-classes (4 gestures and rest) scenario. These results prove that the proposed system is suitable for real-time execution on embedded platforms and also capable of matching the accuracy of state-of-the-art approaches, while also giving some physiological insight on the neuromuscular spikes underlying the sEMG.

SynBA: A contextualized Synonim-Based adversarial Attack for text classification

With the advent of high-performance computing devices, deep neural networks have gained a lot of popularity in solving many Natural Language Processing tasks. However, they are also vulnerable to adversarial attacks, which are able to modify the input text in order to mislead the target model. Adversarial attacks are a serious threat to the security of deep neural networks, and they can be used to craft adversarial examples that steer the model towards a wrong decision. In this dissertation, we propose SynBA, a novel contextualized synonym-based adversarial attack for text classification. SynBA is based on the idea of replacing words in the input text with their synonyms, which are selected according to the context of the sentence. We show that SynBA successfully generates adversarial examples that are able to fool the target model with a high success rate. We demonstrate three advantages of this proposed approach: (1) effective - it outperforms state-of-the-art attacks by semantic similarity and perturbation rate, (2) utility-preserving - it preserves semantic content, grammaticality, and correct types classified by humans, and (3) efficient - it performs attacks faster than other methods.

Hierarchical Multi-Label Text Classification in a Low-Resource Setting

In this thesis we address a multi-label hierarchical text classification problem in a low-resource setting and explore different approaches to identify the best one for our case. The goal is to train a model that classifies English school exercises according to a hierarchical taxonomy with few labeled data. The experiments made in this work employ different machine learning models and text representation techniques: CatBoost with tf-idf features, classifiers based on pre-trained models (mBERT, LASER), and SetFit, a framework for few-shot text classification. SetFit proved to be the most promising approach, achieving better performance when during training only a few labeled examples per class are available. However, this thesis does not consider all the hierarchical taxonomy, but only the first two levels: to address classification with the classes at the third level further experiments should be carried out, exploring methods for zero-shot text classification, data augmentation, and strategies to exploit the hierarchical structure of the taxonomy during training.