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A commonly recurring problem in structural protein studies, is the determination of all heavy atom positions from the knowledge of the central alpha-carbon coordinates. We employ advances in virtual reality to address the problem. The…

Biomolecules · Quantitative Biology 2014-12-30 Xubiao Peng , Alireza Chenani , Shuangwei Hu , Yifan Zhou , Antti J. Niemi

We present an analog version of the quantum approximate optimization algorithm suitable for current quantum annealers. The central idea of this algorithm is to optimize the schedule function, which defines the adiabatic evolution. It is…

Benchmarking the performance of quantum optimization algorithms is crucial for identifying utility for industry-relevant use cases. Benchmarking processes vary between optimization applications and depend on user-specified goals. The…

Recent quantum algorithms pertaining to electronic structure theory primarily focus on threshold-based dynamic construction of ansatz by selectively including important many-body operators. These methods can be made systematically more…

Quantum Physics · Physics 2024-08-26 Chayan Patra , Debaarjun Mukherjee , Sonaldeep Halder , Dibyendu Mondal , Rahul Maitra

We solve robot trajectory planning problems at industry-relevant scales. Our end-to-end solution integrates highly versatile random-key algorithms with model stacking and ensemble techniques, as well as path relinking for solution…

In this paper, we present efficient quantum algorithms that are exponentially faster than classical algorithms for solving the quantum optimal control problem. This problem involves finding the control variable that maximizes a physical…

Quantum Physics · Physics 2023-10-02 Xiantao Li , Chunhao Wang

The Quantum Approximate Optimization Algorithm (QAOA) is a hybrid quantum-classical variational algorithm designed to tackle combinatorial optimization problems. Despite its promise for near-term quantum applications, not much is currently…

Quantum Physics · Physics 2020-06-26 Leo Zhou , Sheng-Tao Wang , Soonwon Choi , Hannes Pichler , Mikhail D. Lukin

Quantum annealing is a heuristic optimization algorithm that exploits quantum evolution to approximately find lowest energy states. Quantum annealers have scaled up in recent years to tackle increasingly larger and more highly connected…

Quantum Physics · Physics 2025-07-04 Humberto Munoz Bauza , Daniel A. Lidar

We propose a hybrid quantum-classical algorithm to compute approximate solutions of binary combinatorial problems. We employ a shallow-depth quantum circuit to implement a unitary and Hermitian operator that block-encodes the weighted…

Quantum Physics · Physics 2023-06-16 Natacha Kuete Meli , Florian Mannel , Jan Lellmann

Quantum computing promises to solve difficult optimization problems in chemistry, physics and mathematics more efficiently than classical computers, but requires fault-tolerant quantum computers with millions of qubits. To overcome errors…

Databases · Computer Science 2021-07-23 Tobias Fankhauser , Marc E. Solèr , Rudolf M. Füchslin , Kurt Stockinger

A pivotal task for quantum computing is to speed up solving problems that are both classically intractable and practically valuable. Among these, combinatorial optimization problems have attracted tremendous attention due to their broad…

To arrive at some viable product design, product development processes frequently use numerical simulations and mathematical programming techniques. Topology optimization, in particular, is one of the most promising techniques for…

Quantum Physics · Physics 2025-05-06 Yuki Sato , Ruho Kondo , Satoshi Koide , Seiji Kajita

Topology optimization is a key methodology in engineering design for finding efficient and robust structures. Due to the enormous size of the design space, evaluating all possible configurations is typically infeasible. In this work, we…

Quantum computing is emerging as a new computing resource that could be superior to conventional computing for certain classes of optimization problems. However, in principle, most existing approaches to quantum optimization are intended to…

Optimization and Control · Mathematics 2022-01-21 Chin-Yao Chang , Eric Jones , Yiyun Yao , Peter Graf , Rishabh Jain

Quantum computing poses a threat to contemporary cryptosystems, with advances to a state in which it will cause problems predicted for the next few decades. Many of the proposed cryptosystems designed to be quantum-secure are based on the…

Quantum Physics · Physics 2025-01-22 Edmund Dable-Heath , Laura Casas , Victor Hertz , Christian Porter , Florian Mintert , Cong Ling

Universal fault-tolerant quantum computers will require error-free execution of long sequences of quantum gate operations, which is expected to involve millions of physical qubits. Before the full power of such machines will be available,…

The logistic network design is an abstract optimization problem that, under the assumption of minimal cost, seeks the optimal configuration of the supply chain's infrastructures and facilities based on customer demand. Key economic…

Quantum Physics · Physics 2021-02-04 Yongcheng Ding , Xi Chen , Lucas Lamata , Enrique Solano , Mikel Sanz

This paper presents a novel Differential Evolution algorithm for protein folding optimization that is applied to a three-dimensional AB off-lattice model. The proposed algorithm includes two new mechanisms. A local search is used to improve…

Artificial Intelligence · Computer Science 2018-05-08 Borko Bošković , Janez Brest

Quantum computing has the potential to revolutionize multiple fields by solving complex problems that can not be solved in reasonable time with current classical computers. Nevertheless, the development of quantum computers is still in its…

One of the problems frequently mentioned as a candidate for quantum advantage is that of selecting a portfolio of financial assets to maximize returns while minimizing risk. In this paper we formulate several real-world constraints for use…

Materials Science · Physics 2022-03-10 Salvatore Certo , Anh Dung Pham , Daniel Beaulieu