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Discovery of atomistic systems with desirable properties is a major challenge in chemistry and material science. Here we introduce a novel, autoregressive, convolutional deep neural network architecture that generates molecular equilibrium…

Machine Learning · Statistics 2018-10-29 Niklas W. A. Gebauer , Michael Gastegger , Kristof T. Schütt

To implement quantum algorithms on a quantum computer, we must overcome the twin problems of fault-tolerance -- how can we realize a relatively noiseless computation by cleverly combining noisy components? -- and compilation -- how can we…

Quantum Physics · Physics 2026-04-29 Jack Weinberg , Narayanan Rengaswamy

Industrial manipulators have extensively collaborated with human operators to execute tasks, e.g., disassembly of end-of-use products, in intelligent remanufacturing. A safety task execution requires real-time path planning for the…

Robotics · Computer Science 2024-06-13 Wansong Liu , Chang Liu , Xiao Liang , Minghui Zheng

Simulations of quantum chemistry and quantum materials are believed to be among the most important potential applications of quantum information processors, but realizing practical quantum advantage for such problems is challenging. Here,…

We present a quantum algorithm for simulating the time evolution generated by any bounded, time-dependent operator $-A$ with non-positive logarithmic norm, thereby serving as a natural generalization of the Hamiltonian simulation problem.…

Quantum Physics · Physics 2025-09-15 Guang Hao Low , Rolando D. Somma

This paper considers an optimization problem for a dynamical system whose evolution depends on a collection of binary decision variables. We develop scalable approximation algorithms with provable suboptimality bounds to provide…

Optimization and Control · Mathematics 2016-10-31 Insoon Yang , Samuel A. Burden , Ram Rajagopal , S. Shankar Sastry , Claire J. Tomlin

Optically trapped mixed-species single atom arrays with arbitrary geometries are an attractive and promising platform for various applications, because tunable quantum systems with multiple components provide extra degrees of freedom for…

Many inverse problems and signal processing problems involve low-rank regularizers based on the nuclear norm. Commonly, proximal gradient methods (PGM) are adopted to solve this type of non-smooth problems as they can offer fast and…

Signal Processing · Electrical Eng. & Systems 2025-11-25 Rodrigo A. Lobos , Javier Salazar Cavazos , Raj Rao Nadakuditi , Jeffrey A. Fessler

The quantum approximate optimisation algorithm was proposed as a heuristic method for solving combinatorial optimisation problems on near-term quantum computers and may be among the first algorithms to perform useful computations in the…

Quantum Physics · Physics 2022-11-10 David Headley , Thorge Müller , Ana Martin , Enrique Solano , Mikel Sanz , Frank K. Wilhelm

We provide a noisy intermediate-scale quantum framework for simulating the dynamics of open quantum systems, generalized time evolution, non-linear differential equations and Gibbs state preparation. Our algorithm does not require any…

Quantum Physics · Physics 2023-01-31 Tobias Haug , Kishor Bharti

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…

An effective, accessible abstraction hierarchy has made using and programming computers possible for people across all disciplines. Establishing such a hierarchy for quantum programming is an outstanding challenge, especially due to a…

Deterministic loading of single atoms onto arbitrary two-dimensional lattice points has recently been demonstrated, where by dynamically controlling the optical-dipole potential, atoms from a probabilistically loaded lattice were relocated…

Atomic Physics · Physics 2017-07-27 Woojun Lee , Hyosub Kim , Jaewook Ahn

Given a quantum algorithm, it is highly nontrivial to devise an efficient sequence of physical gates implementing the algorithm on real hardware and incorporating topological quantum error correction. In this paper, we present a first step…

Quantum Physics · Physics 2016-08-10 Alexandru Paler , Simon J. Devitt , Austin G. Fowler

Quantum computing is fast evolving as a technology due to recent advances in hardware, software, as well as the development of promising applications. To use this technology for solving specific problems, a suitable quantum algorithm has to…

Quantum Physics · Physics 2024-06-25 Nils Quetschlich , Lukas Burgholzer , Robert Wille

We present a framework that utilizes quantum algorithms, an architecture aware quantum noise model and an ideal simulator to benchmark quantum computers. The benchmark metrics highlight the difference between the quantum computer evolution…

Quantum Physics · Physics 2021-12-20 Konstantinos Georgopoulos , Clive Emary , Paolo Zuliani

Quantum circuit optimization - the process of transforming a quantum circuit into an equivalent one with reduced time and space requirements - is crucial for maximizing the utility of current and near-future quantum devices. While most…

Quantum Physics · Physics 2026-01-23 Marcin Szyniszewski , Aleks Kissinger , Noah Linden , Paul Skrzypczyk

We present a quantum algorithm for finding the minimum of a function based on multistep quantum computation and apply it for optimization problems with continuous variables, in which the variables of the problem are discretized to form the…

Quantum Physics · Physics 2023-07-03 Hefeng Wang , Hua Xiang

Dynamic multi-objective optimization (DMOO) has recently attracted increasing interest from both academic researchers and engineering practitioners, as numerous real-world applications that evolve over time can be naturally formulated as…

Neural and Evolutionary Computing · Computer Science 2026-01-06 Chang Shao , Qi Zhao , Nana Pu , Shi Cheng , Jing Jiang , Yuhui Shi
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