Link prediction is a key aspect of graph machine learning, with applications as diverse as disease prediction, social network recommendations, and drug discovery. It involves predicting new links that may form between network nodes. Despite the clear importance of link prediction, existing models have significant shortcomings. Graph Convolutional Networks, for instance, have been proven to be highly efficient for link prediction on a variety of datasets. However, they encounter severe limitations when applied to short-path networks and ego networks, resulting in poor performance. This presents a critical problem space that this work aims to address. In this paper, we present the Node Centrality and Similarity Based Parameterised Model (NCSM), a novel method for link prediction tasks. NCSM uniquely integrates node centrality and similarity measures as edge features in a customised Graph Neural Network (GNN) layer, effectively leveraging the topological information of large networks. This model represents the first parameterised GNN-based link prediction model that considers topological information. The proposed model was evaluated on five benchmark graph datasets, each comprising thousands of nodes and edges. Experimental results highlight NCSM's superiority over existing state-of-the-art models like Graph Convolutional Networks and Variational Graph Autoencoder, as it outperforms them across various metrics and datasets. This exceptional performance can be attributed to NCSM's innovative integration of node centrality, similarity measures, and its efficient use of topological information.

ABSTRACT -- Exploring methods and techniques of machine learning (ML) to address specific challenges in various fields is essential. In this work, we tackle a problem in the domain of Cheminformatics; that is, providing a suitable solution to aid in predicting the activity of a chemical compound to the best extent possible. To address the problem at hand, this study conducts experiments on 100 different combinations of existing techniques. These solutions are then selected based on a set of criteria that includes the G-means, F1-score, and AUC metrics. The results have been tested on a dataset of about 10,000 chemical compounds from PubChem that have been classified according to their activity. I. INTRODUCTION In datasets used in biological experiments for measuring the activity of various compounds against different biological targets, often used in screening, there is usually a significant imbalance between active and inactive compounds, with the number of inactive data points being much larger. Therefore, training requires the use of suitable machine learning models. Additionally, preprocessing before using machine learning methods for training is also a crucial issue. The following issues are approached to address the problem of predicting the activity of chemical compounds using chemistry-related datasets: Investigating the dependency of attributes or features in the dataset to potentially reduce the number of features. This can be done using methods such as ANOVA F-test to assess the dependency of each feature on the target variable or by using correlation coefficients.

The development of large high-quality datasets and high-performing models have led to significant advancements in the domain of Extractive Question Answering (EQA). This progress has sparked considerable interest in exploring unanswerable questions within the EQA domain. Training EQA models with unanswerable questions helps them avoid extracting misleading or incorrect answers for queries that lack valid responses. However, manually annotating unanswerable questions is labor-intensive. To address this, we propose AGent, a novel pipeline that automatically creates new unanswerable questions by re-matching a question with a context that lacks the necessary information for a correct answer. In this paper, we demonstrate the usefulness of this AGent pipeline by creating two sets of unanswerable questions from answerable questions in SQuAD and HotpotQA. These created question sets exhibit low error rates. Additionally, models fine-tuned on these questions show comparable performance with those fine-tuned on the SQuAD 2.0 dataset on multiple EQA benchmarks.

Blinding eye diseases are often correlated with altered retinal morphology, which can be clinically identified by segmenting retinal structures in fundus images. However, current methodologies often fall short in accurately segmenting delicate vessels. Although deep learning has shown promise in medical image segmentation, its reliance on repeated convolution and pooling operations can hinder the representation of edge information, ultimately limiting overall segmentation accuracy. In this paper, we propose a lightweight pixel-level CNN named LMBiS-Net for the segmentation of retinal vessels with an exceptionally low number of learnable parameters \textbf{(only 0.172 M)}. The network used multipath feature extraction blocks and incorporates bidirectional skip connections for the information flow between the encoder and decoder. Additionally, we have optimized the efficiency of the model by carefully selecting the number of filters to avoid filter overlap. This optimization significantly reduces training time and enhances computational efficiency. To assess the robustness and generalizability of LMBiS-Net, we performed comprehensive evaluations on various aspects of retinal images. Specifically, the model was subjected to rigorous tests to accurately segment retinal vessels, which play a vital role in ophthalmological diagnosis and treatment. By focusing on the retinal blood vessels, we were able to thoroughly analyze the performance and effectiveness of the LMBiS-Net model. The results of our tests demonstrate that LMBiS-Net is not only robust and generalizable but also capable of maintaining high levels of segmentation accuracy. These characteristics highlight the potential of LMBiS-Net as an efficient tool for high-speed and accurate segmentation of retinal images in various clinical applications.

Recent rapid advancements in deepfake technology have allowed the creation of highly realistic fake media, such as video, image, and audio. These materials pose significant challenges to human authentication, such as impersonation, misinformation, or even a threat to national security. To keep pace with these rapid advancements, several deepfake detection algorithms have been proposed, leading to an ongoing arms race between deepfake creators and deepfake detectors. Nevertheless, these detectors are often unreliable and frequently fail to detect deepfakes. This study highlights the challenges they face in detecting deepfakes, including (1) the pre-processing pipeline of artifacts and (2) the fact that generators of new, unseen deepfake samples have not been considered when building the defense models. Our work sheds light on the need for further research and development in this field to create more robust and reliable detectors. Figure 1: Illustration of the face detected from different engines.

I introduce a novel algorithm and accompanying Python library, named mlcausality, designed for the identification of nonlinear Granger causal relationships. This novel algorithm uses a flexible plug-in architecture that enables researchers to employ any nonlinear regressor as the base prediction model. Subsequently, I conduct a comprehensive performance analysis of mlcausality when the prediction regressor is the kernel ridge regressor with the radial basis function kernel. The results demonstrate that mlcausality employing kernel ridge regression achieves competitive AUC scores across a diverse set of simulated data. Furthermore, mlcausality with kernel ridge regression yields more finely calibrated $p$-values in comparison to rival algorithms. This enhancement enables mlcausality to attain superior accuracy scores when using intuitive $p$-value-based thresholding criteria. Finally, mlcausality with the kernel ridge regression exhibits significantly reduced computation times compared to existing nonlinear Granger causality algorithms. In fact, in numerous instances, this innovative approach achieves superior solutions within computational timeframes that are an order of magnitude shorter than those required by competing algorithms.

Wireless sensor networks are considered to be among the most significant and innovative technologies in the 21st century due to their wide range of industrial applications. Sensor nodes in these networks are susceptible to a variety of assaults due to their special qualities and method of deployment. In WSNs, denial of service attacks are common attacks in sensor networks. It is difficult to design a detection and prevention system that would effectively reduce the impact of these attacks on WSNs. In order to identify assaults on WSNs, this study suggests using two machine learning models: decision trees and XGBoost. The WSNs dataset was the subject of extensive tests to identify denial of service attacks. The experimental findings demonstrate that the XGBoost model, when applied to the entire dataset, has a higher true positive rate (98.3%) than the Decision tree approach (97.3%) and a lower false positive rate (1.7%) than the Decision tree technique (2.7%). Like this, with selected dataset assaults, the XGBoost approach has a higher true positive rate (99.01%) than the Decision tree technique (97.50%) and a lower false positive rate (0.99%) than the Decision tree technique (2.50%).

Conformal prediction (CP) generates a set of predictions for a given test sample such that the prediction set almost always contains the true label (e.g., 99.5\% of the time). CP provides comprehensive predictions on possible labels of a given test sample, and the size of the set indicates how certain the predictions are (e.g., a set larger than one is `uncertain'). Such distinct properties of CP enable effective collaborations between human experts and medical AI models, allowing efficient intervention and quality check in clinical decision-making. In this paper, we propose a new method called Reliable-Region-Based Conformal Prediction (RR-CP), which aims to impose a stronger statistical guarantee so that the user-specified error rate (e.g., 0.5\%) can be achieved in the test time, and under this constraint, the size of the prediction set is optimized (to be small). We consider a small prediction set size an important measure only when the user-specified error rate is achieved. Experiments on five public datasets show that our RR-CP performs well: with a reasonably small-sized prediction set, it achieves the user-specified error rate (e.g., 0.5\%) significantly more frequently than exiting CP methods.

Quantum-inspired Machine Learning (QiML) is a burgeoning field, receiving global attention from researchers for its potential to leverage principles of quantum mechanics within classical computational frameworks. However, current review literature often presents a superficial exploration of QiML, focusing instead on the broader Quantum Machine Learning (QML) field. In response to this gap, this survey provides an integrated and comprehensive examination of QiML, exploring QiML's diverse research domains including tensor network simulations, dequantized algorithms, and others, showcasing recent advancements, practical applications, and illuminating potential future research avenues. Further, a concrete definition of QiML is established by analyzing various prior interpretations of the term and their inherent ambiguities. As QiML continues to evolve, we anticipate a wealth of future developments drawing from quantum mechanics, quantum computing, and classical machine learning, enriching the field further. This survey serves as a guide for researchers and practitioners alike, providing a holistic understanding of QiML's current landscape and future directions.

Federated Learning (FL) facilitates decentralized machine learning model training, preserving data privacy, lowering communication costs, and boosting model performance through diversified data sources. Yet, FL faces vulnerabilities such as poisoning attacks, undermining model integrity with both untargeted performance degradation and targeted backdoor attacks. Preventing backdoors proves especially challenging due to their stealthy nature. Prominent mitigation techniques against poisoning attacks rely on monitoring certain metrics and filtering malicious model updates. While shown effective in evaluations, we argue that previous works didn't consider realistic real-world adversaries and data distributions. We define a new notion of strong adaptive adversaries, capable of adapting to multiple objectives simultaneously. Through extensive empirical tests, we show that existing defense methods can be easily circumvented in this adversary model. We also demonstrate, that existing defenses have limited effectiveness when no assumptions are made about underlying data distributions. We introduce Metric-Cascades (MESAS), a novel defense method for more realistic scenarios and adversary models. MESAS employs multiple detection metrics simultaneously to identify poisoned model updates, creating a complex multi-objective optimization problem for adaptive attackers. In our extensive evaluation featuring nine backdoors and three datasets, MESAS consistently detects even strong adaptive attackers. Furthermore, MESAS outperforms existing defenses in distinguishing backdoors from data distribution-related distortions within and across clients. MESAS is the first defense robust against strong adaptive adversaries, effective in real-world data scenarios, with an average overhead of just 24.37 seconds.