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Application-based benchmarks are increasingly used to quantify and compare quantum computers' performance. However, because contemporary quantum computers cannot run utility-scale computations, these benchmarks currently test this…

Variational optimization of neural-network representations of quantum states has been successfully applied to solve interacting fermionic problems. Despite rapid developments, significant scalability challenges arise when considering…

Chemical Physics · Physics 2022-08-12 Tianchen Zhao , James Stokes , Shravan Veerapaneni

This paper presents a novel approach to quantum architecture search by integrating the techniques of ZX-calculus with Genetic Programming (GP) to optimize the structure of parameterized quantum circuits employed in Quantum Machine Learning…

Quantum Physics · Physics 2025-03-21 Tom Ewen , Ivica Turkalj , Patrick Holzer , Mark-Oliver Wolf

Generating novel active molecules for a given protein is an extremely challenging task for generative models that requires an understanding of the complex physical interactions between the molecule and its environment. In this paper, we…

Quantum generative modeling is a rapidly evolving discipline at the intersection of quantum computing and machine learning. Contemporary quantum machine learning is generally limited to toy examples or heavily restricted datasets with few…

Quantum Physics · Physics 2026-03-03 Jonas Jäger , Florian J. Kiwit , Carlos A. Riofrío

The concepts of topology and geometry are of critical importance in exploring exotic phases of quantum matter. Though they have been investigated on various experimental platforms, to date a direct probe of topological and geometric…

Quantum Physics · Physics 2024-06-07 Tianqi Chen , Hai-Tao Ding , Ruizhe Shen , Shi-Liang Zhu , Jiangbin Gong

Quantum routers (QRouters) are essential components of bucket-brigade quantum random access memory (QRAM), enabling quantum applications such as Grover's search and quantum machine learning. Despite significant theoretical advances,…

State-of-the-art models for 3D molecular generation are based on significant inductive biases, SE(3), permutation equivariance to respect symmetry and graph message-passing networks to capture local chemistry, yet the generated molecules…

Machine Learning · Computer Science 2025-07-02 Carlos Vonessen , Charles Harris , Miruna Cretu , Pietro Liò

We propose a scheme for scalable and robust quantum computing on two-dimensional arrays of qubits with fixed longitudinal coupling. This opens the possibility for bypassing the device complexity associated with tunable couplers required in…

Quantum Physics · Physics 2023-03-08 Nguyen H. Le , Max Cykiert , Eran Ginossar

The representation of a quantum wave function as a neural network quantum state (NQS) provides a powerful variational ansatz for finding the ground states of many-body quantum systems. Nevertheless, due to the complex variational landscape,…

Quantum Physics · Physics 2023-12-06 Eimantas Ledinauskas , Egidijus Anisimovas

Quantum computers are promising powerful computers for solving complex problems, but access to real quantum hardware remains limited due to high costs. Although the software simulators on CPUs/GPUs such as Qiskit, ProjectQ, and Qsun offer…

Quantum Physics · Physics 2025-03-19 Tuan Hai Vu , Vu Trung Duong Le , Hoai Luan Pham , Quoc Chuong Nguyen , Yasuhiko Nakashima

Quantum computers leverage the unique advantages of quantum mechanics to achieve acceleration over classical computers for certain problems. Currently, various quantum simulators provide powerful tools for researchers, but simulating…

Quantum Physics · Physics 2024-10-31 Shuangxiang Zhou , Ronghang Chen , Zheng An , Shi-Yao Hou

Data representation in quantum state space offers an alternative function space for machine learning tasks. However, benchmarking these algorithms at a practical scale has been limited by ineffective simulation methods. We develop a quantum…

Quantum Physics · Physics 2024-11-15 Mekena Metcalf , Pablo Andrés-Martínez , Nathan Fitzpatrick

Classical simulations of quantum circuits are vital for assessing potential quantum advantage and benchmarking devices, yet they require sophisticated methods to avoid the exponential growth of resources. Tensor network approaches, in…

Hybrid quantum-classical models represent a crucial step toward leveraging near-term quantum devices for sequential data processing. We present Quantum Recurrent Neural Networks (QRNNs) and Quantum Convolutional Neural Networks (QCNNs) as…

Quantum Physics · Physics 2025-12-16 Stefan Balauca , Ada-Astrid Balauca , Adrian Iftene

$\mathtt{StochasticGW}$ is a code for computing accurate Quasi-Particle (QP) energies of molecules and material systems in the GW approximation. $\mathtt{StochasticGW}$ utilizes the stochastic Resolution of the Identity (sROI) technique to…

A key requirement to perform simulations of large quantum systems on near-term quantum hardware is the design of quantum algorithms with short circuit depth that finish within the available coherence time. A way to stay within the limits of…

Optical quantum computing is a promising approach for achieving large-scale quantum computation. While Gaussian operations have been successfully scaled, the inherently weak nonlinearity in optics makes generating highly non-Gaussian states…

We optimize matrix-product state-based algorithms for simulating quantum circuits with finite fidelity, specifically the time-evolving block decimation (TEBD) and the density-matrix renormalization group (DMRG) algorithms, by exploiting the…

We use the Lipkin-Meshkov-Glick (LMG) model and the valence-space nuclear shell model to examine the likely performance of variational quantum eigensolvers in nuclear-structure theory. The LMG model exhibits both a phase transition and…

Nuclear Theory · Physics 2022-06-30 A. M. Romero , J. Engel , Ho Lun Tang , Sophia E. Economou