EEG-based tinnitus classification is a valuable tool for tinnitus diagnosis, research, and treatments. Most current works are limited to a single dataset where data patterns are similar. But EEG signals are highly non-stationary, resulting in model's poor generalization to new users, sessions or datasets. Thus, designing a model that can generalize to new datasets is beneficial and indispensable. To mitigate distribution discrepancy across datasets, we propose to achieve Disentangled and Side-aware Unsupervised Domain Adaptation (DSUDA) for cross-dataset tinnitus diagnosis. A disentangled auto-encoder is developed to decouple class-irrelevant information from the EEG signals to improve the classifying ability. The side-aware unsupervised domain adaptation module adapts the class-irrelevant information as domain variance to a new dataset and excludes the variance to obtain the class-distill features for the new dataset classification. It also align signals of left and right ears to overcome inherent EEG pattern difference. We compare DSUDA with state-of-the-art methods, and our model achieves significant improvements over competitors regarding comprehensive evaluation criteria. The results demonstrate our model can successfully generalize to a new dataset and effectively diagnose tinnitus.

Graph classification is an important area in both modern research and industry. Multiple applications, especially in chemistry and novel drug discovery, encourage rapid development of machine learning models in this area. To keep up with the pace of new research, proper experimental design, fair evaluation, and independent benchmarks are essential. Design of strong baselines is an indispensable element of such works. In this thesis, we explore multiple approaches to graph classification. We focus on Graph Neural Networks (GNNs), which emerged as a de facto standard deep learning technique for graph representation learning. Classical approaches, such as graph descriptors and molecular fingerprints, are also addressed. We design fair evaluation experimental protocol and choose proper datasets collection. This allows us to perform numerous experiments and rigorously analyze modern approaches. We arrive to many conclusions, which shed new light on performance and quality of novel algorithms. We investigate application of Jumping Knowledge GNN architecture to graph classification, which proves to be an efficient tool for improving base graph neural network architectures. Multiple improvements to baseline models are also proposed and experimentally verified, which constitutes an important contribution to the field of fair model comparison.

Data-driven identification of differential equations is an interesting but challenging problem, especially when the given data are corrupted by noise. When the governing differential equation is a linear combination of various differential terms, the identification problem can be formulated as solving a linear system, with the feature matrix consisting of linear and nonlinear terms multiplied by a coefficient vector. This product is equal to the time derivative term, and thus generates dynamical behaviors. The goal is to identify the correct terms that form the equation to capture the dynamics of the given data. We propose a general and robust framework to recover differential equations using a weak formulation, for both ordinary and partial differential equations (ODEs and PDEs). The weak formulation facilitates an efficient and robust way to handle noise. For a robust recovery against noise and the choice of hyper-parameters, we introduce two new mechanisms, narrow-fit and trimming, for the coefficient support and value recovery, respectively. For each sparsity level, Subspace Pursuit is utilized to find an initial set of support from the large dictionary. Then, we focus on highly dynamic regions (rows of the feature matrix), and error normalize the feature matrix in the narrow-fit step. The support is further updated via trimming of the terms that contribute the least. Finally, the support set of features with the smallest Cross-Validation error is chosen as the result. A comprehensive set of numerical experiments are presented for both systems of ODEs and PDEs with various noise levels. The proposed method gives a robust recovery of the coefficients, and a significant denoising effect which can handle up to $100\%$ noise-to-signal ratio for some equations. We compare the proposed method with several state-of-the-art algorithms for the recovery of differential equations.

Semiconductor lasers have been rapidly evolving to meet the demands of next-generation optical networks. This imposes much more stringent requirements on the laser reliability, which are dominated by degradation mechanisms (e.g., sudden degradation) limiting the semiconductor laser lifetime. Physics-based approaches are often used to characterize the degradation behavior analytically, yet explicit domain knowledge and accurate mathematical models are required. Building such models can be very challenging due to a lack of a full understanding of the complex physical processes inducing the degradation under various operating conditions. To overcome the aforementioned limitations, we propose a new data-driven approach, extracting useful insights from the operational monitored data to predict the degradation trend without requiring any specific knowledge or using any physical model. The proposed approach is based on an unsupervised technique, a conditional variational autoencoder, and validated using vertical-cavity surface-emitting laser (VCSEL) and tunable edge emitting laser reliability data. The experimental results confirm that our model (i) achieves a good degradation prediction and generalization performance by yielding an F1 score of 95.3%, (ii) outperforms several baseline ML based anomaly detection techniques, and (iii) helps to shorten the aging tests by early predicting the failed devices before the end of the test and thereby saving costs

Purpose: Hard-to-interpret Black-box Machine Learning (ML) were often used for early Alzheimer's Disease (AD) detection. Methods: To interpret eXtreme Gradient Boosting (XGBoost), Random Forest (RF), and Support Vector Machine (SVM) black-box models a workflow based on Shapley values was developed. All models were trained on the Alzheimer's Disease Neuroimaging Initiative (ADNI) dataset and evaluated for an independent ADNI test set, as well as the external Australian Imaging and Lifestyle flagship study of Ageing (AIBL), and Open Access Series of Imaging Studies (OASIS) datasets. Shapley values were compared to intuitively interpretable Decision Trees (DTs), and Logistic Regression (LR), as well as natural and permutation feature importances. To avoid the reduction of the explanation validity caused by correlated features, forward selection and aspect consolidation were implemented. Results: Some black-box models outperformed DTs and LR. The forward-selected features correspond to brain areas previously associated with AD. Shapley values identified biologically plausible associations with moderate to strong correlations with feature importances. The most important RF features to predict AD conversion were the volume of the amygdalae, and a cognitive test score. Good cognitive test performances and large brain volumes decreased the AD risk. The models trained using cognitive test scores significantly outperformed brain volumetric models ($p<0.05$). Cognitive Normal (CN) vs. AD models were successfully transferred to external datasets. Conclusion: In comparison to previous work, improved performances for ADNI and AIBL were achieved for CN vs. Mild Cognitive Impairment (MCI) classification using brain volumes. The Shapley values and the feature importances showed moderate to strong correlations.

The use of supervised Machine Learning (ML) to enhance Intrusion Detection Systems has been the subject of significant research. Supervised ML is based upon learning by example, demanding significant volumes of representative instances for effective training and the need to re-train the model for every unseen cyber-attack class. However, retraining the models in-situ renders the network susceptible to attacks owing to the time-window required to acquire a sufficient volume of data. Although anomaly detection systems provide a coarse-grained defence against unseen attacks, these approaches are significantly less accurate and suffer from high false-positive rates. Here, a complementary approach referred to as 'One-Shot Learning', whereby a limited number of examples of a new attack-class is used to identify a new attack-class (out of many) is detailed. The model grants a new cyber-attack classification without retraining. A Siamese Network is trained to differentiate between classes based on pairs similarities, rather than features, allowing to identify new and previously unseen attacks. The performance of a pre-trained model to classify attack-classes based only on one example is evaluated using three datasets. Results confirm the adaptability of the model in classifying unseen attacks and the trade-off between performance and the need for distinctive class representation.

Structural alterations have been thoroughly investigated in the brain during the early onset of schizophrenia (SCZ) with the development of neuroimaging methods. The objective of the paper is an efficient classification of SCZ in 2 different classes: Cognitive Normal (CN), and SCZ using magnetic resonance imaging (MRI) images. This paper proposed a lightweight 3D convolutional neural network (CNN) based framework for SCZ diagnosis using MRI images. In the proposed model, lightweight 3D CNN is used to extract both spatial and spectral features simultaneously from 3D volume MRI scans, and classification is done using an ensemble bagging classifier. Ensemble bagging classifier contributes to preventing overfitting, reduces variance, and improves the model's accuracy. The proposed algorithm is tested on datasets taken from three benchmark databases available as open-source: MCICShare, COBRE, and fBRINPhase-II. These datasets have undergone preprocessing steps to register all the MRI images to the standard template and reduce the artifacts. The model achieves the highest accuracy 92.22%, sensitivity 94.44%, specificity 90%, precision 90.43%, recall 94.44%, F1-score 92.39% and G-mean 92.19% as compared to the current state-of-the-art techniques. The performance metrics evidenced the use of this model to assist the clinicians for automatic accurate diagnosis of SCZ.

Proteins play a central role in biology from immune recognition to brain activity. While major advances in machine learning have improved our ability to predict protein structure from sequence, determining protein function from structure remains a major challenge. Here, we introduce Holographic Convolutional Neural Network (H-CNN) for proteins, which is a physically motivated machine learning approach to model amino acid preferences in protein structures. H-CNN reflects physical interactions in a protein structure and recapitulates the functional information stored in evolutionary data. H-CNN accurately predicts the impact of mutations on protein function, including stability and binding of protein complexes. Our interpretable computational model for protein structure-function maps could guide design of novel proteins with desired function.

Volatile organic compounds (VOCs) are chemicals emitted by various groups, such as foods, bacteria, and plants. While there are specific pathways and biological features significantly related to such VOCs, detection of these is achieved mostly by human odor testing or high-end methods such as gas chromatography–mass spectrometry that can analyze the gaseous component. However, odor characterization can be quite helpful in the rapid classification of some samples in sufficient concentrations. Lower-cost metal-oxide gas sensors have the potential to allow the same type of detection with less training required. Here, we report a portable, battery-powered electronic nose system that utilizes multiple metal-oxide gas sensors and machine learning algorithms to detect and classify VOCs. An in-house circuit was designed with ten metal-oxide sensors and voltage dividers; an STM32 microcontroller was used for data acquisition with 12-bit analog-to-digital conversion. For classification of target samples, a supervised machine learning algorithm such as support vector machine (SVM) was applied to classify the VOCs based on the measurement results. The coefficient of variation (standard deviation divided by mean) of 8 of the 10 sensors stayed below 10%, indicating the excellent repeatability of these sensors. As a proof of concept, four different types of wine samples and three different oil samples were classified, and the training model reported 100% and 98% accuracy based on the confusion matrix analysis, respectively. When the trained model was challenged against new sets of data, sensitivity and specificity of 98.5% and 98.6% were achieved for the wine test and 96.3% and 93.3% for the oil test, respectively, when the SVM classifier was used. These results suggest that the metal-oxide sensors are suitable for usage in food authentication applications.

We show that it is possible to predict which deep network has generated a given logit vector with accuracy well above chance. We utilize a number of networks on a dataset, initialized with random weights or pretrained weights, as well as fine-tuned networks. A classifier is then trained on the logit vectors of the trained set of this dataset to map the logit vector to the network index that has generated it. The classifier is then evaluated on the test set of the dataset. Results are better with randomly initialized networks, but also generalize to pretrained networks as well as fine-tuned ones. Classification accuracy is higher using unnormalized logits than normalized ones. We find that there is little transfer when applying a classifier to the same networks but with different sets of weights. In addition to help better understand deep networks and the way they encode uncertainty, we anticipate our finding to be useful in some applications (e.g. tailoring an adversarial attack for a certain type of network). Code is available at https://github.com/aliborji/logits.