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This thesis addresses the problem of developing a quantum counter-part of the well established classical theory of control. We dwell on the fundamental fact that quantum states are generally not perfectly distinguishable, and quantum…

Quantum Physics · Physics 2009-08-21 Paulo E. M. F. Mendonca

Predicting drug-target interactions (DTI) via reliable computational methods is an effective and efficient way to mitigate the enormous costs and time of the drug discovery process. Structure-based drug similarities and sequence-based…

Machine Learning · Computer Science 2021-07-12 Bin Liu , Konstantinos Pliakos , Celine Vens , Grigorios Tsoumakas

Partitioning transportation networks into balanced and spatially coherent traffic zones is a fundamental yet computationally challenging task in intelligent transportation systems. The resulting optimization problem exhibits dense…

Quantum Physics · Physics 2026-05-19 Ruimin Ke , Talha Azfar , Kaicong Huang , Shuyang Li

Quantum computing holds the potential for quantum advantage in optimization problems, which requires advances in quantum algorithms and hardware specifications. Adiabatic quantum optimization is conceptually a valid solution that suffers…

This paper studies the linear quadratic regulation (LQR) problem of unknown discrete-time systems via dynamic output feedback learning control. In contrast to the state feedback, the optimality of the dynamic output feedback control for…

Systems and Control · Electrical Eng. & Systems 2025-05-29 Kedi Xie , Martin Guay , Shimin Wang , Fang Deng , Maobin Lu

Aggregating pharmaceutical data in the drug-target interaction (DTI) domain has the potential to deliver life-saving breakthroughs. It is, however, notoriously difficult due to regulatory constraints and commercial interests. This work…

Machine Learning · Computer Science 2023-10-19 Gianluca Mittone , Filip Svoboda , Marco Aldinucci , Nicholas D. Lane , Pietro Lio

The development of tailored materials for specific applications is an active field of research in chemistry, material science and drug discovery. The number of possible molecules that can be obtained from a set of atomic species grow…

Drug resistance is still a major challenge in cancer therapy. Drug combination is expected to overcome drug resistance. However, the number of possible drug combinations is enormous, and thus it is infeasible to experimentally screen all…

Genomics · Quantitative Biology 2018-11-20 Tianyu Zhang , Liwei Zhang , Philip R. O. Payne , Fuhai Li

Drug-target interaction (DTI) prediction plays a crucial role in drug discovery, and deep learning approaches have achieved state-of-the-art performance in this field. We introduce an ensemble of deep learning models (EnsembleDLM) for DTI…

Biomolecules · Quantitative Biology 2022-01-19 Po-Yu Kao , Shu-Min Kao , Nan-Lan Huang , Yen-Chu Lin

By leveraging quantum-mechanical properties like superposition, entanglement, and interference, quantum computing (QC) offers promising solutions for problems that classical computing has not been able to solve efficiently, such as drug…

Human-Computer Interaction · Computer Science 2025-02-14 Hyeok Kim , Mingyoung J. Jeng , Kaitlin N. Smith

In the last decades, people have been consuming and combining more drugs than before, increasing the number of Drug-Drug Interactions (DDIs). To predict unknown DDIs, recently, studies started incorporating Knowledge Graphs (KGs) since they…

Artificial Intelligence · Computer Science 2023-08-14 Lizzy Farrugia , Lilian M. Azzopardi , Jeremy Debattista , Charlie Abela

Quantum computing (QC) has gained popularity due to its unique capabilities that are quite different from that of classical computers in terms of speed and methods of operations. This paper proposes hybrid models and methods that…

Quantum Physics · Physics 2019-11-12 Akshay Ajagekar , Travis Humble , Fengqi You

We address the generic problem of optimal quantum state preparation for open quantum systems. It is well known that open quantum systems can be simulated by quantum trajectories described by a stochastic Schr\"odinger equation. In this…

Quantum Physics · Physics 2025-01-31 Aarón Villanueva , Hilbert Kappen

This work investigates the impact of time rescaling on the performance of Feedback Quantum Algorithms (FQA) and their variant for optimization tasks, FALQON. We introduce TR-FQA and TR-FALQON, time-rescaled versions of FQA and FALQON,…

Quantum Physics · Physics 2025-11-11 L. A. M. Rattighieri , G. E. L. Pexe , B. L. Bernado , F. F. Fanchini

Identifying and discovering drug-target interactions(DTIs) are vital steps in drug discovery and development. They play a crucial role in assisting scientists in finding new drugs and accelerating the drug development process. Recently,…

Quantitative Methods · Quantitative Biology 2023-11-15 Wenting Ye , Chen Li , Yang Xie , Wen Zhang , Hong-Yu Zhang , Bowen Wang , Debo Cheng , Zaiwen Feng

Despite significant progress in theoretical and laboratory quantum control, engineering quantum systems remains principally challenging due to manifestation of noise and uncertainties associated with the field and Hamiltonian parameters. In…

Quantum Physics · Physics 2021-12-15 Andrew Koswara , Vaibhav Bhutoria , Raj Chakrabarti

This paper offers a unified perspective on different approaches to the solution of optimal control problems through the lens of constrained sequential quadratic programming. In particular, it allows us to find the relationships between…

Optimization and Control · Mathematics 2025-10-07 Abhijeet , Suman Chakravorty

In a quantum processor, the device design and external controls together contribute to the quality of the target quantum operations. As we continuously seek better alternative qubit platforms, we explore the increasingly large device and…

Quantum Physics · Physics 2023-12-08 Xiaotong Ni , Hui-Hai Zhao , Lei Wang , Feng Wu , Jianxin Chen

As brain-computer interfacing (BCI) systems transition from assistive technology to more diverse applications, their speed, reliability, and user experience become increasingly important. Dynamic stopping methods enhance BCI system speed by…

Human-Computer Interaction · Computer Science 2024-06-18 Sara Ahmadi , Peter Desain , Jordy Thielen

Decoded Quantum Interferometry (DQI) is a recently proposed quantum optimization algorithm that exploits sparsity in the Fourier spectrum of objective functions, with the potential for exponential speedups over classical algorithms on…

Quantum Physics · Physics 2026-03-09 Kaifeng Bu , Weichen Gu , Dax Enshan Koh , Xiang Li