Related papers: Drug discovery with explainable artificial intelli…

Artificial intelligence (AI) provides many opportunities to improve private and public life. Discovering patterns and structures in large troves of data in an automated manner is a core component of data science, and currently drives…

Machine Learning algorithms are increasingly being used in recent years due to their flexibility in model fitting and increased predictive performance. However, the complexity of the models makes them hard for the data analyst to interpret…

Deep Learning and Machine Learning based models have become extremely popular in text processing and information retrieval. However, the non-linear structures present inside the networks make these models largely inscrutable. A significant…

Artificial intelligence (AI) has sparked immense interest in drug discovery, but most current approaches only digitize existing high-throughput experiments. They remain constrained by conventional pipelines. As a result, they do not address…

Computer-aided design of molecules has the potential to disrupt the field of drug and material discovery. Machine learning, and deep learning, in particular, have been topics where the field has been developing at a rapid pace.…

Traditional drug discovery is a long, expensive, and complex process. Advances in Artificial Intelligence (AI) and Machine Learning (ML) are beginning to change this narrative. Here, we provide a comprehensive overview of different AI and…

Explaining Deep Learning models is becoming increasingly important in the face of daily emerging multimodal models, particularly in safety-critical domains like medical imaging. However, the lack of detailed investigations into the…

Deep learning has taken by storm all fields involved in data analysis, including remote sensing for Earth observation. However, despite significant advances in terms of performance, its lack of explainability and interpretability, inherent…

Deep neural networks (DNN) have achieved unprecedented performance in computer-vision tasks almost ubiquitously in business, technology, and science. While substantial efforts are made to engineer highly accurate architectures and provide…

Machine learning and deep learning techniques are contributing much to the advancement of science. Their powerful predictive capabilities appear in numerous disciplines, including chaotic dynamics, but they miss understanding. The main…

Advanced communication protocols are critical to enable the coexistence of autonomous robots with humans. Thus, the development of explanatory capabilities is an urgent first step toward autonomous robots. This survey provides an overview…

Explainable Artificial Intelligence (XAI) is an emerging area of research in the field of Artificial Intelligence (AI). XAI can explain how AI obtained a particular solution (e.g., classification or object detection) and can also answer…

Machines are being increasingly used in decision-making processes, resulting in the realization that decisions need explanations. Unfortunately, an increasing number of these deployed models are of a 'black-box' nature where the reasoning…

Without any means of interpretation, neural networks that predict molecular properties and bioactivities are merely black boxes. We will unravel these black boxes and will demonstrate approaches to understand the learned representations…

Artificial Intelligence (AI) provides many opportunities to improve private and public life. Discovering patterns and structures in large troves of data in an automated manner is a core component of data science, and currently drives…

Drug addiction is a complex and pervasive global challenge that continues to pose significant public health concerns. Traditional approaches to anti-addiction drug discovery have struggled to deliver effective therapeutics, facing high…

Artificial intelligence models encounter significant challenges due to their black-box nature, particularly in safety-critical domains such as healthcare, finance, and autonomous vehicles. Explainable Artificial Intelligence (XAI) addresses…

Artificial intelligence (AI) has the potential to revolutionize the drug discovery process, offering improved efficiency, accuracy, and speed. However, the successful application of AI is dependent on the availability of high-quality data,…

High-throughput technologies such as next generation sequencing allow biologists to observe cell function with unprecedented resolution, but the resulting datasets are too large and complicated for humans to understand without the aid of…

Deep learning (DL) models have been popular due to their ability to learn directly from the raw data in an end-to-end paradigm, alleviating the concern of a separate error-prone feature extraction phase. Recent DL-based neuroimaging studies…