FragXsiteDTI: Revealing Responsible Segments in Drug-Target Interaction with Transformer-Driven Interpretation

Drug-Target Interaction (DTI) prediction is vital for drug discovery, yet challenges persist in achieving model interpretability and optimizing performance. We propose a novel transformer-based model, FragXsiteDTI, that aims to address these challenges in DTI prediction. Notably, FragXsiteDTI is the first DTI model to simultaneously leverage drug molecule fragments and protein pockets. Our information-rich representations for both proteins and drugs offer a detailed perspective on their interaction. Inspired by the Perceiver IO framework, our model features a learnable latent array, initially interacting with protein binding site embeddings using cross-attention and later refined through self-attention and used as a query to the drug fragments in the drug's cross-attention transformer block. This learnable query array serves as a mediator and enables seamless information translation, preserving critical nuances in drug-protein interactions. Our computational results on three benchmarking datasets demonstrate the superior predictive power of our model over several state-of-the-art models. We also show the interpretability of our model in terms of the critical components of both target proteins and drug molecules within drug-target pairs.

Probabilistic Model of Narratives Over Topical Trends in Social Media: A Discrete Time Model

Online social media platforms are turning into the prime source of news and narratives about worldwide events. However,a systematic summarization-based narrative extraction that can facilitate communicating the main underlying events is lacking. To address this issue, we propose a novel event-based narrative summary extraction framework. Our proposed framework is designed as a probabilistic topic model, with categorical time distribution, followed by extractive text summarization. Our topic model identifies topics' recurrence over time with a varying time resolution. This framework not only captures the topic distributions from the data, but also approximates the user activity fluctuations over time. Furthermore, we define significance-dispersity trade-off (SDT) as a comparison measure to identify the topic with the highest lifetime attractiveness in a timestamped corpus. We evaluate our model on a large corpus of Twitter data, including more than one million tweets in the domain of the disinformation campaigns conducted against the White Helmets of Syria. Our results indicate that the proposed framework is effective in identifying topical trends, as well as extracting narrative summaries from text corpus with timestamped data.

FePh: An Annotated Facial Expression Dataset for the RWTH-PHOENIX-Weather 2014 Dataset

Facial expressions are important parts of both gesture and sign language recognition systems. Despite the recent advances in both fields, annotated facial expression dataset in the context of sign language are still scarce resources. In this manuscript, we introduce a continuous sign language facial expression dataset, comprising over $3000$ annotated images of the RWTH-PHOENIX-Weather 2014 development set. Unlike the majority of currently existing facial expression datasets, FePh provides sequenced semi-blurry facial images with different head poses, orientations, and movements. In addition, in the majority of images, identities are mouthing the words, which makes the data more challenging. To annotate this dataset we consider primary, secondary, and tertiary dyads of seven basic emotions of "sad", "surprise", "fear", "angry", "neutral", "disgust", and "happy". We also considered the "None" class if the image's facial expression could not be described by any of the aforementioned emotions. Although we provide FePh in the context of facial expression and sign language, it has a wider application in gesture recognition and Human Computer Interaction (HCI) systems. The dataset will be publicly available.

A Comprehensive Survey on Machine Learning Techniques and User Authentication Approaches for Credit Card Fraud Detection

With the increase of credit card usage, the volume of credit card misuse also has significantly increased. As a result, financial organizations are working hard on developing and deploying credit card fraud detection methods, in order to adapt to ever-evolving, increasingly sophisticated defrauding strategies and identifying illicit transactions as quickly as possible to protect themselves and their customers. Compounding on the complex nature of such adverse strategies, credit card fraudulent activities are rare events compared to the number of legitimate transactions. Hence, the challenge to develop fraud detection that are accurate and efficient is substantially intensified and, as a consequence, credit card fraud detection has lately become a very active area of research. In this work, we provide a survey of current techniques most relevant to the problem of credit card fraud detection. We carry out our survey in two main parts. In the first part,we focus on studies utilizing classical machine learning models, which mostly employ traditional transnational features to make fraud predictions. These models typically rely on some static physical characteristics, such as what the user knows (knowledge-based method), or what he/she has access to (object-based method). In the second part of our survey, we review more advanced techniques of user authentication, which use behavioral biometrics to identify an individual based on his/her unique behavior while he/she is interacting with his/her electronic devices. These approaches rely on how people behave (instead of what they do), which cannot be easily forged. By providing an overview of current approaches and the results reported in the literature, this survey aims to drive the future research agenda for the community in order to develop more accurate, reliable and scalable models of credit card fraud detection.

DeepFork: Supervised Prediction of Information Diffusion in GitHub

Information spreads on complex social networks extremely fast, in other words, a piece of information can go viral within no time. Often it is hard to barricade this diffusion prior to the significant occurrence of chaos, be it a social media or an online coding platform. GitHub is one such trending online focal point for any business to reach their potential contributors and customers, simultaneously. By exploiting such software development paradigm, millions of free software emerged lately in diverse communities. To understand human influence, information spread and evolution of transmitted information among assorted users in GitHub, we developed a deep neural network model: DeepFork, a supervised machine learning based approach that aims to predict information diffusion in complex social networks; considering node as well as topological features. In our empirical studies, we observed that information diffusion can be detected by link prediction using supervised learning. DeepFork outperforms other machine learning models as it better learns the discriminative patterns from the input features. DeepFork aids in understanding information spread and evolution through a bipartite network of users and repositories i.e., information flow from a user to repository to user.

Multi-Task Learning Using Neighborhood Kernels

This paper introduces a new and effective algorithm for learning kernels in a Multi-Task Learning (MTL) setting. Although, we consider a MTL scenario here, our approach can be easily applied to standard single task learning, as well. As shown by our empirical results, our algorithm consistently outperforms the traditional kernel learning algorithms such as uniform combination solution, convex combinations of base kernels as well as some kernel alignment-based models, which have been proven to give promising results in the past. We present a Rademacher complexity bound based on which a new Multi-Task Multiple Kernel Learning (MT-MKL) model is derived. In particular, we propose a Support Vector Machine-regularized model in which, for each task, an optimal kernel is learned based on a neighborhood-defining kernel that is not restricted to be positive semi-definite. Comparative experimental results are showcased that underline the merits of our neighborhood-defining framework in both classification and regression problems.

Local Rademacher Complexity-based Learning Guarantees for Multi-Task Learning

We show a Talagrand-type concentration inequality for Multi-Task Learning (MTL), using which we establish sharp excess risk bounds for MTL in terms of distribution- and data-dependent versions of the Local Rademacher Complexity (LRC). We also give a new bound on the LRC for norm regularized as well as strongly convex hypothesis classes, which applies not only to MTL but also to the standard i.i.d. setting. Combining both results, one can now easily derive fast-rate bounds on the excess risk for many prominent MTL methods, including---as we demonstrate---Schatten-norm, group-norm, and graph-regularized MTL. The derived bounds reflect a relationship akeen to a conservation law of asymptotic convergence rates. This very relationship allows for trading off slower rates w.r.t. the number of tasks for faster rates with respect to the number of available samples per task, when compared to the rates obtained via a traditional, global Rademacher analysis.

Multi-Task Learning with Group-Specific Feature Space Sharing

When faced with learning a set of inter-related tasks from a limited amount of usable data, learning each task independently may lead to poor generalization performance. Multi-Task Learning (MTL) exploits the latent relations between tasks and overcomes data scarcity limitations by co-learning all these tasks simultaneously to offer improved performance. We propose a novel Multi-Task Multiple Kernel Learning framework based on Support Vector Machines for binary classification tasks. By considering pair-wise task affinity in terms of similarity between a pair's respective feature spaces, the new framework, compared to other similar MTL approaches, offers a high degree of flexibility in determining how similar feature spaces should be, as well as which pairs of tasks should share a common feature space in order to benefit overall performance. The associated optimization problem is solved via a block coordinate descent, which employs a consensus-form Alternating Direction Method of Multipliers algorithm to optimize the Multiple Kernel Learning weights and, hence, to determine task affinities. Empirical evaluation on seven data sets exhibits a statistically significant improvement of our framework's results compared to the ones of several other Clustered Multi-Task Learning methods.