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The widespread digitization of patient data via electronic health records (EHRs) has created an unprecedented opportunity to use machine learning algorithms to better predict disease risk at the patient level. Although predictive models…

Drug discovery using deep learning has attracted a lot of attention of late as it has obvious advantages like higher efficiency, less manual guessing and faster process time. In this paper, we present a novel neural network for generating…

Biomolecules · Quantitative Biology 2021-10-08 Abhinav Sagar

Predicting business process behaviour is an important aspect of business process management. Motivated by research in natural language processing, this paper describes an application of deep learning with recurrent neural networks to the…

Machine Learning · Computer Science 2017-05-05 Joerg Evermann , Jana-Rebecca Rehse , Peter Fettke

Recent progress in machine learning has sparked increased interest in utilizing this technology to predict the outcomes of chemical reactions. The ultimate aim of such endeavors is to develop a universal model that can predict products for…

Chemical Physics · Physics 2025-07-03 Daniel Julian , Jesús Pérez-Ríos

This paper introduces the OPIAID algorithm, a novel approach for predicting and recommending personalized opioid dosages for individual patients. The algorithm optimizes pain management while minimizing opioid related adverse events (ORADE)…

Human reasoning can distill principles from observed patterns and generalize them to explain and solve novel problems. The most powerful artificial intelligence systems lack explainability and symbolic reasoning ability, and have therefore…

Machine Learning · Computer Science 2021-11-17 Paul J. Blazek , Kesavan Venkatesh , Milo M. Lin

In this review, we highlight recent developments in the application of machine learning for molecular modeling and simulation. After giving a brief overview of the foundations, components, and workflow of a typical supervised learning…

Data Analysis, Statistics and Probability · Physics 2019-02-21 Mojtaba Haghighatlari , Johannes Hachmann

With the developments in machine learning, there has been a surge in interest and results focused on algorithms utilizing predictions, not least in online algorithms where most new results incorporate the prediction aspect for concrete…

Data Structures and Algorithms · Computer Science 2026-02-02 Magnus Berg , Joan Boyar , Lene M. Favrholdt , Kim S. Larsen

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…

Artificial Intelligence · Computer Science 2024-11-12 Khartik Uppalapati , Eeshan Dandamudi , S. Nick Ice , Gaurav Chandra , Kirsten Bischof , Christian L. Lorson , Kamal Singh

Automated service classification plays a crucial role in service discovery, selection, and composition. Machine learning has been widely used for service classification in recent years. However, the performance of conventional machine…

Machine Learning · Computer Science 2020-12-25 Yilong Yang , Nafees Qamar , Peng Liu , Katarina Grolinger , Weiru Wang , Zhi Li , Zhifang Liao

The appearance of a new dangerous and contagious disease requires the development of a drug therapy faster than what is foreseen by usual mechanisms. Many drug therapy developments consist in investigating through different clinical trials…

Quantitative Methods · Quantitative Biology 2020-03-31 Ezequiel Alvarez , Federico Lamagna , Manuel Szewc

Research around AI for Science has seen significant success since the rise of deep learning models over the past decade, even with longstanding challenges such as protein structure prediction. However, this fast development inevitably made…

Artificial Intelligence · Computer Science 2022-12-27 Kieran Didi , Matej Zečević

In recent years, the pen and paper RPG market has experienced significant growth. As a result, companies are increasingly exploring the integration of AI technologies to enhance player experience and gain a competitive edge. One of the key…

Machine Learning · Computer Science 2025-11-04 Jolanta Śliwa

The development by machine learning of models predicting materials' properties usually requires the use of a large number of consistent data for training. However, quality experimental datasets are not always available or self-consistent.…

Materials Science · Physics 2019-01-29 Kai Yang , Xinyi Xu , Benjamin Yang , Brian Cook , Herbert Ramos , Mathieu Bauchy

Applying DevOps practices to machine learning system is termed as MLOps and machine learning systems evolve on new data unlike traditional systems on requirements. The objective of MLOps is to establish a connection between different…

Software Engineering · Computer Science 2024-02-21 Pir Sami Ullah Shah , Naveed Ahmad , Mirza Omer Beg

In this chapter, we provide a brief overview of applying machine learning techniques for clinical prediction tasks. We begin with a quick introduction to the concepts of machine learning and outline some of the most common machine learning…

Machine Learning · Computer Science 2019-09-23 Wei-Hung Weng

Malware classification is a difficult problem, to which machine learning methods have been applied for decades. Yet progress has often been slow, in part due to a number of unique difficulties with the task that occur through all stages of…

Cryptography and Security · Computer Science 2020-11-17 Edward Raff , Charles Nicholas

Predicting drug properties is key in drug discovery to enable de-risking of assets before expensive clinical trials, and to find highly active compounds faster. Interest from the Machine Learning community has led to the release of a…

The application of deep learning techniques on aroma-chemicals has resulted in models more accurate than human experts at predicting olfactory qualities. However, public research in this domain has been limited to predicting the qualities…

Machine Learning · Computer Science 2024-06-06 Laura Sisson , Aryan Amit Barsainyan , Mrityunjay Sharma , Ritesh Kumar

Purpose: This study aimed to use deep learning-based dose prediction to assess head and neck (HN) plan quality and identify suboptimal plans. Methods: A total of 245 VMAT HN plans were created using RapidPlan knowledge-based planning (KBP).…

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