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It is a common practice in modern medicine to prescribe multiple medications simultaneously to treat diseases. However, these medications could have adverse reactions between them, known as Drug-Drug Interactions (DDI), which have the…

Machine Learning · Computer Science 2024-12-10 Azwad Tamir , Jiann-Shiun Yuan

The simulation of quantum dynamics on a digital quantum computer with parameterized circuits has widespread applications in fundamental and applied physics and chemistry. In this context, using the hybrid quantum-classical algorithm,…

Quantum Physics · Physics 2023-07-19 Tangyou Huang , Yongcheng Ding , Léonce Dupays , Yue Ban , Man-Hong Yung , Adolfo del Campo , Xi Chen

Designing scalable, noise-tolerant control protocols for multipartite entanglement is a central challenge for quantum technologies, and it naturally calls for \emph{algorithmic} synthesis of interaction parameters rather than handcrafted…

Quantum Physics · Physics 2026-02-10 Duc-Kha Vu , Minh Tam Nguyen , Özgür E. Müstecaplıoğlu , Fatih Ozaydin

Thanks to the increasing availability of drug-drug interactions (DDI) datasets and large biomedical knowledge graphs (KGs), accurate detection of adverse DDI using machine learning models becomes possible. However, it remains largely an…

Machine Learning · Computer Science 2021-05-10 Yue Yu , Kexin Huang , Chao Zhang , Lucas M. Glass , Jimeng Sun , Cao Xiao

We introduce a method for solving combinatorial optimization problems on digital quantum computers, where we incorporate auxiliary counterdiabatic (CD) terms into the adiabatic Hamiltonian, while integrating bias terms derived from an…

Early phase, personalized dose-finding trials for combination therapies seek to identify patient-specific optimal biological dose (OBD) combinations, which are defined as safe dose combinations which maximize therapeutic benefit for a…

Methodology · Statistics 2024-04-18 James Willard , Shirin Golchi , Erica EM Moodie

Drug-drug interactions (DDIs) are a major concern in clinical practice, as they can lead to reduced therapeutic efficacy or severe adverse effects. Traditional computational approaches often struggle to capture the complex relationships…

Machine Learning · Computer Science 2025-08-27 Hongbo Liu , Siyi Li , Zheng Yu

Drug-side effect research is vital for understanding adverse reactions arising in complex multi-drug therapies. However, the scarcity of higher-order datasets that capture the combinatorial effects of multiple drugs severely limits progress…

Machine Learning · Computer Science 2025-02-11 Zhaoying Wang , Yingdan Shi , Xiang Liu , Can Chen , Jun Wen , Ren Wang

Trying to solve hard optimisation problems with quantum techniques requires transformations of domain objectives and constraints into formats compatible with a chosen quantum algorithm. This often introduces inefficiencies and overheads…

Quantum Physics · Physics 2026-05-19 Simon Thelen , Wolfgang Mauerer

Drug-drug interactions (DDIs) remain a major source of preventable harm, and many clinically important mechanisms are still unknown. Existing models either rely on pharmacologic knowledge graphs (KGs), which fail on unseen drugs, or on…

Machine Learning · Computer Science 2025-11-11 Franklin Lee , Tengfei Ma

The purpose of this paper is to study the mixed linear quadratic Gaussian (LQG) and $H_\infty$ optimal control problem for linear quantum stochastic systems, where the controller itself is also a quantum system, often referred to as…

Quantum Physics · Physics 2016-11-15 Lei Cui , Zhiyuan Dong , Guofeng Zhang , Heung Wing Joseph Lee

Manipulate and control of the complex quantum system with high precision are essential for achieving universal fault tolerant quantum computing. For a physical system with restricted control resources, it is a challenge to control the…

Quantum Physics · Physics 2021-01-20 Zheng An , Qi-Kai He , Hai-Jing Song , D. L. Zhou

Feedback-based methods have gained significant attention as an alternative training paradigm for the Quantum Approximate Optimization Algorithm (QAOA) in solving combinatorial optimization problems such as MAX-CUT. In particular, Quantum…

Quantum Physics · Physics 2026-02-16 Masih Mozakka , Mohsen Heidari

Complex or co-existing diseases are commonly treated using drug combinations, which can lead to higher risk of adverse side effects. The detection of polypharmacy side effects is usually done in Phase IV clinical trials, but there are still…

Machine Learning · Statistics 2019-05-03 Andreea Deac , Yu-Hsiang Huang , Petar Veličković , Pietro Liò , Jian Tang

We consider the optimal design problem for identifying effective dose combinations within drug combination studies where the effect of the combination of two drugs is investigated. Drug combination studies are becoming increasingly…

Understanding the interaction between different drugs (drug-drug interaction or DDI) is critical for ensuring patient safety and optimizing therapeutic outcomes. Existing DDI datasets primarily focus on textual information, overlooking…

Machine Learning · Computer Science 2025-06-03 Tung-Lam Ngo , Ba-Hoang Tran , Duy-Cat Can , Trung-Hieu Do , Oliver Y. Chén , Hoang-Quynh Le

Effective epidemic control is crucial for mitigating the spread of infectious diseases, particularly when pharmaceutical interventions such as vaccines or treatments are limited. Non-pharmaceutical strategies, including mobility…

Physics and Society · Physics 2025-12-03 Deborah Volpe , Giacomo Orlandi , Mattia Boggio , Carlo Novara , Lorenzo Zino , Giovanna Turvani

The systematic discovery of effective drug combinations is a challenging problem in modern pharmacology, driven by the combinatorial growth of potential pairings and dosage configurations. Network medicine, modeling diseases and drugs as…

Quantum Physics · Physics 2025-12-24 Diogo Ramos , Bruno Coutinho , Duarte Magano

We present a formulation of feedback in quantum systems in which the best estimates of the dynamical variables are obtained continuously from the measurement record, and fed back to control the system. We apply this method to the problem of…

Quantum Physics · Physics 2009-10-31 A. C. Doherty , K. Jacobs

Many patients with chronic diseases resort to multiple medications to relieve various symptoms, which raises concerns about the safety of multiple medication use, as severe drug-drug antagonism can lead to serious adverse effects or even…

Machine Learning · Computer Science 2023-03-07 Tian Bian , Yuli Jiang , Jia Li , Tingyang Xu , Yu Rong , Yi Su , Timothy Kwok , Helen Meng , Hong Cheng