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Since Grover's seminal work, quantum search has been studied in great detail. In the usual search problem, we have a collection of n items and we would like to find a marked item. We consider a new variant of this problem in which…

Quantum Physics · Physics 2007-05-23 Andris Ambainis

Accurately predicting protein-ligand binding free energies (BFEs) remains a central challenge in drug discovery, particularly because the most reliable methods, such as free energy perturbation (FEP), are computationally intensive and…

Chemical Physics · Physics 2025-12-09 Farzad Molani , Art E. Cho

Most of the existing point-to-mesh distance query solvers, such as Proximity Query Package (PQP), Embree and Fast Closest Point Query (FCPW), are based on bounding volume hierarchy (BVH). The hierarchical organizational structure enables…

Graphics · Computer Science 2023-08-31 Chen Zong , Jiacheng Xu , Jiantao Song , Shuangmin Chen , Shiqing Xin , Wenping Wang , Changhe Tu

We present three quantum algorithms for clustering graphs based on higher-order patterns, known as motif clustering. One uses a straightforward application of Grover search, the other two make use of quantum approximate counting, and all of…

Quantum Physics · Physics 2023-07-05 Chris Cade , Farrokh Labib , Ido Niesen

Learning with large-scale datasets and information-critical applications, such as in High Energy Physics (HEP), demands highly complex, large-scale models that are both robust and accurate. To tackle this issue and cater to the learning…

Machine Learning · Computer Science 2026-04-20 Abhishek Sawaika , Durga Pritam Suggisetti , Udaya Parampalli , Rajkumar Buyya

The use of mid-circuit measurement and qubit reset within quantum programs has been introduced recently and several applications demonstrated that perform conditional branching based on these measurements. In this work, we go a step further…

We consider the problem of finding the minimum element in a list of length $N$ using a noisy comparator. The noise is modelled as follows: given two elements to compare, if the values of the elements differ by at least $\alpha$ by some…

Quantum Physics · Physics 2020-03-31 Yihui Quek , Clement Canonne , Patrick Rebentrost

Given the query, key and value matrices $Q, K, V\in \mathbb{R}^{n\times d}$, the attention module is defined as $\mathrm{Att}(Q, K, V)=D^{-1}AV$ where $A=\exp(QK^\top/\sqrt{d})$ with $\exp(\cdot)$ applied entrywise, $D=\mathrm{diag}(A{\bf…

Quantum Physics · Physics 2026-02-03 Zhao Song , Jianfei Xue , Jiahao Zhang , Lichen Zhang

Shor's algorithm is one of the most prominent quantum algorithms, yet finding efficient implementations remains an active research challenge. While many approaches focus on low-level modular arithmetic optimizations, a broader perspective…

Quantum Physics · Physics 2025-12-23 Moritz Schmidt , Abhoy Kole , Leon Wichette , Rolf Drechsler , Frank Kirchner , Elie Mounzer

We use energies and forces predicted within response operator based quantum machine learning (OQML) to perform geometry optimization and transition state search calculations with legacy optimizers. For randomly sampled initial coordinates…

Chemical Physics · Physics 2022-07-25 S. Heinen , G. F. von Rudorff , O. A. von Lilienfeld

We introduce a novel deterministic quantum search algorithm that provides a practical alternative to conventional probabilistic search approaches. Our scheme eliminates the inherent uncertainty of quantum search without relying on arbitrary…

Quantum Physics · Physics 2025-07-22 John Burke , Ciaran McGoldrick

Quantum advantage is the core of quantum computing. Grover's search algorithm is the only quantum algorithm with proven advantage to any possible classical search algorithm. However, realizing this quantum advantage in practice is quite…

Quantum Physics · Physics 2023-06-21 Jian Leng , Fan Yang , Xiang-Bin Wang

Range Minimum Query (RMQ) is an important building brick of many compressed data structures and string matching algorithms. Although this problem is essentially solved in theory, with sophisticated data structures allowing for constant time…

Data Structures and Algorithms · Computer Science 2017-11-29 Tomasz Kowalski , Szymon Grabowski

Deep Neural Networks (DNNs) are vulnerable to deliberately crafted adversarial examples. In the past few years, many efforts have been spent on exploring query-optimisation attacks to find adversarial examples of either black-box or…

Cryptography and Security · Computer Science 2019-10-16 Derui , Wang , Chaoran Li , Sheng Wen , Surya Nepal , Yang Xiang

Motivated by limitations on the depth of near-term quantum devices, we study the depth-computation trade-off in the query model, where the depth corresponds to the number of adaptive query rounds and the computation per layer corresponds to…

Quantum Physics · Physics 2023-12-08 Uma Girish , Makrand Sinha , Avishay Tal , Kewen Wu

Quantum crosstalk which stems from unwanted interference of quantum operations with nearby qubits is a major source of noise or errors in a quantum processor. In the context of shared quantum computing, it is challenging to mitigate the…

Quantum Physics · Physics 2025-08-18 Haiyue Kang , Benjamin Harper , Muhammad Usman , Martin Sevior

We propose a quantum algorithm for closest pattern matching which allows us to search for as many distinct patterns as we wish in a given string (database), requiring a query function per symbol of the pattern alphabet. This represents a…

Quantum Physics · Physics 2007-05-23 P. Mateus , Y. Omar

Quantum error mitigation (QEM) is essential for extracting reliable results from near-term quantum devices, yet practical deployments must balance mitigation strength against runtime overhead under time-varying noise. We introduce…

First-order methods in convex optimization offer low per-iteration cost but often suffer from slow convergence, while second-order methods achieve fast local convergence at the expense of costly Hessian inversions. In this paper, we…

Machine Learning · Statistics 2025-07-08 Qiang Heng , Caixing Wang

This thesis aims to use intelligent systems to extend and improve performance and security of cryptographic techniques. Genetic algorithms framework for cryptanalysis problem is addressed. A novel extension to the differential cryptanalysis…

Neural and Evolutionary Computing · Computer Science 2014-01-16 Ayman M. Bahaa-Eldin