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Healthcare AI holds the potential to increase patient safety, augment efficiency and improve patient outcomes, yet research is often limited by data access, cohort curation, and tooling for analysis. Collection and translation of electronic…

Software Engineering · Computer Science 2021-12-14 Raphael Y. Cohen , Vesela P. Kovacheva

Modern software systems and products increasingly rely on machine learning models to make data-driven decisions based on interactions with users, infrastructure and other systems. For broader adoption, this practice must (i) accommodate…

Molecular docking is an important tool for structure-based drug design, accelerating the efficiency of drug development. Complex and dynamic binding processes between proteins and small molecules require searching and sampling over a wide…

Chemical Physics · Physics 2024-02-23 Runqiu Shu , Bowen Liu , Zhaoping Xiong , Xiaopeng Cui , Yunting Li , Wei Cui , Man-Hong Yung , Nan Qiao

AI is transforming pharmaceutical search, where traditional systems struggle with multimodal content and manual curation. Finder is a scalable AI-powered framework that unifies retrieval across text, images, audio, and video using hybrid…

Information Retrieval · Computer Science 2026-03-18 Suyash Mishra , Srikanth Patil , Satyanarayan Pati , Sagar Sahu , Baddu Narendra

With almost 50% of annual commercial drug approvals being Personalised Medicine (PM) and its huge potential to improve quality of life, this emerging medical sector has received increased attention from the industry and medical research,…

General Economics · Economics 2021-05-27 Andreea Avramescu , Richard Allmendinger , Manuel López-Ibáñez

The rapid growth in terms of the availability of transportation data provides great potential for the introduction of emerging data-driven methodologies into transportation-related research and development efforts. However, advanced…

Physics and Society · Physics 2024-06-25 Zilin Bian , Dachuan Zuo , Jingqin Gao , Kaan Ozbay , Matthew D. Maggio

The increasingly pressing demand of novel drugs (e.g., gene therapies for personalized cancer care, ever evolving vaccines) with unprecedented levels of personalization, has put a remarkable pressure on the traditionally long time required…

Quantitative Methods · Quantitative Biology 2022-06-29 Wei Xie , Giulia Pedrielli

Manufacturing advanced materials and products with a specific property or combination of properties is often warranted. To achieve that it is crucial to find out the optimum recipe or processing conditions that can generate the ideal…

Machine Learning · Computer Science 2023-04-20 Hamed Khosravi , Taofeeq Olajire , Ahmed Shoyeb Raihan , Imtiaz Ahmed

With increasing interest in adaptive clinical trial designs, challenges are present to drug supply chain management which may offset the benefit of adaptive designs. Thus, it is necessary to develop an optimization tool to facilitate the…

Applications · Statistics 2023-10-16 Jincheng Pang , Hong Yan , Zoe Hua

The integration of artificial intelligence [AI] into clinical trials has revolutionized the process of drug development and personalized medicine. Among these advancements, deep learning and predictive modelling have emerged as…

Machine Learning · Computer Science 2024-12-11 Sydney Anuyah , Mallika K Singh , Hope Nyavor

We investigate adaptive protocols for the elimination or reduction of the use of medications or addictive substances. We formalize this problem as online optimization, minimizing the cumulative dose subject to constraints on well-being. We…

Optimization and Control · Mathematics 2023-09-22 Paula Gradu , Benjamin Recht

Many ML applications and products train on medium amounts of input data but get bottlenecked in real-time inference. When implementing ML systems, conventional wisdom favors segregating ML code into services queried by product code via…

Machine Learning · Computer Science 2023-07-25 Daniel S Johnson , Igor L Markov

Recent years have witnessed a rapid growth of distributed machine learning (ML) frameworks, which exploit the massive parallelism of computing clusters to expedite ML training. However, the proliferation of distributed ML frameworks also…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-05-16 Menglu Yu , Jia Liu , Chuan Wu , Bo Ji , Elizabeth S. Bentley

Quantum computing holds promise for revolutionizing computational chemistry simulations, particularly in drug discovery. However, current quantum hardware is limited by noise and scale, necessitating bridging technologies. This study…

Quantum Physics · Physics 2025-04-16 Marek Kowalik , Ellen Michael , Peter Pogány , Phalgun Lolur

Microgels are cross-linked, colloidal polymer networks with great potential for stimuli-response release in drug-delivery applications, as their size in the nanometer range allows them to pass human cell boundaries. For applications with…

Computational Engineering, Finance, and Science · Computer Science 2023-09-01 Luise F. Kaven , Artur M. Schweidtmann , Jan Keil , Jana Israel , Nadja Wolter , Alexander Mitsos

Dose-finding trials are a key component of the drug development process and rely on a statistical design to help inform dosing decisions. Triallists wishing to choose a design require knowledge of operating characteristics of competing…

Computation · Statistics 2025-03-11 Michael Sweeting , Daniel Slade , Dan Jackson , Kristian Brock

Douglas-Rachford splitting and its equivalent dual formulation ADMM are widely used iterative methods in composite optimization problems arising in control and machine learning applications. The performance of these algorithms depends on…

Optimization and Control · Mathematics 2019-06-28 Jacob H. Seidman , Mahyar Fazlyab , Victor M. Preciado , George J. Pappas

The increasing availability of data and advancements in computational intelligence have accelerated the adoption of data-driven methods (DDMs) in product development. However, their integration into product development remains fragmented.…

The process of electronic approach to writing and sending medical prescription promises to improve patient safety, health outcomes, maintaining patients privacy, promoting clinician acceptance and prescription security when compared with…

Computers and Society · Computer Science 2015-06-12 Adebayo Omotosho , Emuoyibofarhe Justice

Parameterizable machine learning (ML) accelerators are the product of recent breakthroughs in ML. To fully enable their design space exploration (DSE), we propose a physical-design-driven, learning-based prediction framework for…