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Drug discovery is adapting to novel technologies such as data science, informatics, and artificial intelligence (AI) to accelerate effective treatment development while reducing costs and animal experiments. AI is transforming drug…

Artificial Intelligence · Computer Science 2023-07-14 Catrin Hasselgren , Tudor I. Oprea

Automated drug dispensing systems (ADDSs) are increasingly in demand in today's pharmacies, primarily driven by the growing ageing population. Recognizing the practical challenges faced by pharmacies implementing ADDSs, this study aims to…

Systems and Control · Electrical Eng. & Systems 2024-01-17 Mengge Yuan , Kan Wu , Ning Zhao

Polypharmacy, most often defined as the simultaneous consumption of five or more drugs at once, is a prevalent phenomenon in the older population. Some of these polypharmacies, deemed inappropriate, may be associated with adverse health…

Machine Learning · Computer Science 2023-04-06 Alexandre Larouche , Audrey Durand , Richard Khoury , Caroline Sirois

Recent technological developments and advances in Artificial Intelligence (AI) have enabled sophisticated capabilities to be a part of Digital Twin (DT), virtually making it possible to introduce automation into all aspects of work…

Software Engineering · Computer Science 2022-01-19 Ashwin Agrawal , Martin Fischer , Vishal Singh

Maintaining high data quality is crucial for reliable data analysis and machine learning (ML). However, existing data quality management tools often lack automation, interactivity, and integration with ML workflows. This demonstration paper…

Databases · Computer Science 2025-01-29 Mohamed Abdelaal , Samuel Lokadjaja , Arne Kreuz , Harald Schöning

Synthesizing high-quality tabular data is an important topic in many data science tasks, ranging from dataset augmentation to privacy protection. However, developing expressive generative models for tabular data is challenging due to its…

Machine Learning · Computer Science 2025-02-18 Juntong Shi , Minkai Xu , Harper Hua , Hengrui Zhang , Stefano Ermon , Jure Leskovec

The development of modern civil industry, energy and information technology is inseparable from the rapid explorations of new materials, which are hampered by months to years of painstaking attempts, resulting in only a small fraction of…

Chemical Physics · Physics 2023-03-22 Zhilong Wang , Junfei Cai , An Chen , Yanqiang Han , Kehao Tao , Simin Ye , Shiwei Wang , Imran Ali , Jinjin Li

Drug discovery is the most expensive, time demanding and challenging project in biopharmaceutical companies which aims at the identification and optimization of lead compounds from large-sized chemical libraries. The lead compounds should…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-12-02 Natarajan Arul Murugan , Artur Podobas , Davide Gadioli , Emanuele Vitali , Gianluca Palermo , Stefano Markidis

The automation of chemical research through self-driving laboratories (SDLs) promises to accelerate scientific discovery, yet the reliability and granular performance of the underlying AI agents remain critical, under-examined challenges.…

Artificial Intelligence · Computer Science 2025-10-01 Gihan Panapitiya , Emily Saldanha , Heather Job , Olivia Hess

The rapidly growing demand for high-quality data in Large Language Models (LLMs) has intensified the need for scalable, reliable, and semantically rich data preparation pipelines. However, current practices remain dominated by ad-hoc…

Mobile health has the potential to revolutionize health care delivery and patient engagement. In this work, we discuss how integrating Artificial Intelligence into digital health applications-focused on supply chain, patient management, and…

Machine Learning · Computer Science 2024-11-22 África Periáñez , Ana Fernández del Río , Ivan Nazarov , Enric Jané , Moiz Hassan , Aditya Rastogi , Dexian Tang

In recent years, interest has arisen in using machine learning to improve the efficiency of automatic medical consultation and enhance patient experience. In this article, we propose two frameworks to support automatic medical consultation,…

Computation and Language · Computer Science 2022-12-27 Wei Chen , Zhiwei Li , Hongyi Fang , Qianyuan Yao , Cheng Zhong , Jianye Hao , Qi Zhang , Xuanjing Huang , Jiajie Peng , Zhongyu Wei

This paper proposes a framework for developing forecasting models by streamlining the connections between core components of the developmental process. The proposed framework enables swift and robust integration of new datasets,…

Machine Learning · Computer Science 2023-04-14 Jonathan Hans Soeseno , Sergio González , Trista Pei-Chun Chen

Current approaches to scheduling workloads on heterogeneous systems with specialized accelerators often rely on manual partitioning, offloading tasks with specific compute patterns to accelerators. This method requires extensive…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-02-12 Zhenyu Bai , Dan Wu , Pranav Dangi , Dhananjaya Wijerathne , Venkata Pavan Kumar Miriyala , Tulika Mitra

This paper highlights the design philosophy and architecture of the Health Guardian, a platform developed by the IBM Digital Health team to accelerate discoveries of new digital biomarkers and development of digital health technologies. The…

The number of biomedical research articles published has doubled in the past 20 years. Search engine based systems naturally center around searching, but researchers may not have a clear goal in mind, or the goal may be expressed in a query…

Digital Libraries · Computer Science 2017-10-25 Jessica Perrie , Yanqi Hao , Zack Hayat , Recep Colak , Kelly Lyons , Shankar Vembu , Sam Molyneux

This work presents a multi-layered methodology for efficiently accelerating multimodal foundation models (MFMs). It combines hardware and software co-design of transformer blocks with an optimization pipeline that reduces computational and…

The advent of 3D printing has transformed the pharmaceutical industry, enabling precision drug manufacturing with controlled release profiles, dosing, and structural complexity. Additive manufacturing (AM) addresses the growing demand for…

Systems and Control · Electrical Eng. & Systems 2024-09-19 Rahul Kumar , Vikram Singh , Priya Gupta

AI-powered autonomous experimentation (AI/AE) can accelerate materials discovery but its effectiveness for electronic materials is hindered by data scarcity from lengthy and complex design-fabricate-test-analyze cycles. Unlike experienced…

A modern smart factory runs a manufacturing procedure using a collection of programmable machines. Typically, materials are ferried between these machines using a team of mobile robots. To embed a manufacturing procedure in a smart factory,…

Robotics · Computer Science 2025-03-03 Christopher Leet , Aidan Sciortino , Sven Koenig