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Controlling infectious diseases is a major health priority because they can spread and infect humans, thus evolving into epidemics or pandemics. Therefore, early detection of infectious diseases is a significant need, and many researchers…
Predicting whether a molecule can cross the blood-brain barrier (BBB) is a key step in early-stage neuro-pharmaceutical design, directly influencing the efficiency and success rate of drug development. Traditional methods based on…
In a world where Machine Learning (ML) is increasingly deployed to support decision-making in critical domains, providing decision-makers with explainable, stable, and relevant inputs becomes fundamental. Understanding how machine learning…
The provision of social care applications is crucial for elderly people to improve their quality of life and enables operators to provide early interventions. Accurate predictions of user dropouts in healthy ageing applications are…
This study explores the application and performance of Transformational Machine Learning (TML) in drug discovery. TML, a meta learning algorithm, excels in exploiting common attributes across various domains, thus developing composite…
Inference attacks against Machine Learning (ML) models allow adversaries to learn sensitive information about training data, model parameters, etc. While researchers have studied, in depth, several kinds of attacks, they have done so in…
Most modern supervised statistical/machine learning (ML) methods are explicitly designed to solve prediction problems very well. Achieving this goal does not imply that these methods automatically deliver good estimators of causal…
In this article, we discuss some of the recent developments in applying machine learning (ML) techniques to nonlinear dynamical systems. In particular, we demonstrate how to build a suitable ML framework for addressing two specific…
Artificial skin with the sense of touch can support robots to interact with the surrounding environment efficiently and accomplish complex tasks. Traditional multi-layered artificial skins require complex manufacturing processes which can…
The increasing reliance on applications with machine learning (ML) components calls for mature engineering techniques that ensure these are built in a robust and future-proof manner. We aim to empirically determine the state of the art in…
Machine learning (ML) models show strong promise for new biomedical prediction tasks, but concerns about trustworthiness have hindered their clinical adoption. In particular, it is often unclear whether a model relies on true clinical cues…
Recent years have seen a substantial development of quantitative methods, mostly led by the computer science community with the goal of developing better machine learning applications, mainly focused on predictive modeling. However,…
In a world where new domains are constantly discovered and machine learning (ML) is applied to automate new tasks every day, challenges arise with the number of samples available to train ML models. While the traditional ML training relies…
Machine Learning (ML) and its applications have been transforming our lives but it is also creating issues related to the development of fair, accountable, transparent, and ethical Artificial Intelligence. As the ML models are not fully…
DNA-encoded small molecule libraries (DELs) have enabled discovery of novel inhibitors for many distinct protein targets of therapeutic value through screening of libraries with up to billions of unique small molecules. We demonstrate a new…
Machine Learning (ML) has the potential to accelerate discovery of new materials and shed light on useful properties of existing materials. A key difficulty when applying ML in Materials Science is that experimental datasets of material…
Predicting mechanical properties in metal additive manufacturing (MAM) is essential for ensuring the performance and reliability of printed parts, as well as their suitability for specific applications. However, conducting experiments to…
Artificial Intelligence models have demonstrated significant success in diagnosing skin diseases, including cancer, showing the potential to assist clinicians in their analysis. However, the interpretability of model predictions must be…
These lecture notes provide a comprehensive framework for performing global statistical fits in high-energy physics using modern Machine Learning (ML) surrogates. We begin by reviewing the statistical foundations of model building,…
Large language models (LLMs) have substantially advanced machine learning research, including natural language processing, computer vision, data mining, etc., yet they still exhibit critical limitations in explainability, reliability,…