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The variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm designed for current and near-term quantum devices. Despite its initial success, there is a lack of understanding involving several of its key aspects. There…

Quantum Physics · Physics 2023-03-22 Manpreet Singh Jattana , Fengping Jin , Hans De Raedt , Kristel Michielsen

By design, the variational quantum eigensolver (VQE) strives to recover the lowest-energy eigenvalue of a given Hamiltonian by preparing quantum states guided by the variational principle. In practice, the prepared quantum state is…

Quantum Physics · Physics 2021-06-29 Daniel Claudino , Jerimiah Wright , Alexander J. McCaskey , Travis S. Humble

Variational-Quantum-Eigensolver (VQE) method has been known as the method of chemical calculation using quantum computers and classical computers. This method also can derive the energy levels of excited states by…

Quantum Physics · Physics 2021-09-07 Hikaru Wakaura , Takao Tomono

Neural network quantum states are a promising tool to analyze complex quantum systems given their representative power. It can however be difficult to optimize efficiently and effectively the parameters of this type of ansatz. Here we…

Quantum Physics · Physics 2023-05-10 Wenxuan Zhang , Xiansong Xu , Zheyu Wu , Vinitha Balachandran , Dario Poletti

We propose an adaptive random quantum algorithm to obtain an optimized eigensolver. Specifically, we introduce a general method to parametrize and optimize the probability density function of a random number generator, which is the core of…

Adapting production-level computer vision tools to bespoke scientific datasets is a critical "last mile" bottleneck. Current solutions are impractical: fine-tuning requires large annotated datasets scientists often lack, while manual code…

Computer Vision and Pattern Recognition · Computer Science 2025-12-09 Xuefei , Wang , Kai A. Horstmann , Ethan Lin , Jonathan Chen , Alexander R. Farhang , Sophia Stiles , Atharva Sehgal , Jonathan Light , David Van Valen , Yisong Yue , Jennifer J. Sun

Finding the ground state of a Hamiltonian system is of great significance in many-body quantum physics and quantum chemistry. We propose an improved iterative quantum algorithm to prepare the ground state of a Hamiltonian. The crucial point…

Quantum Physics · Physics 2022-10-25 Jin-Min Liang , Qiao-Qiao Lv , Shu-Qian Shen , Ming Li , Zhi-Xi Wang , Shao-Ming Fei

The variational quantum eigensolver (VQE) is an algorithm to compute ground and excited state energy of quantum many-body systems. A key component of the algorithm and an active research area is the construction of a parametrized trial…

The capabilities of AI-assisted coding are progressing at breakneck speed. Chat-based vibe coding has evolved into fully fledged AI-assisted, agentic software development using agent scaffolds where the human developer creates a plan that…

Software Engineering · Computer Science 2026-04-24 Magnus Palmblad , Jared M. Ragland , Benjamin A. Neely

We propose a new approach to improve the accuracy of ground state estimates in Variational Quantum Eigensolver (VQE) algorithms by employing subspace representations with soft-coded orthogonality constraints. As in other subspace-based VQE…

Quantum Physics · Physics 2026-02-19 Giuseppe Clemente , Marco Intini

Quantum algorithms for probing ground-state properties of quantum systems require good initial states. Projection-based methods such as eigenvalue filtering rely on inputs that have a significant overlap with the low-energy subspace, which…

Quantum Physics · Physics 2024-04-10 Danial Motlagh , Modjtaba Shokrian Zini , Juan Miguel Arrazola , Nathan Wiebe

AI agentic programming is an emerging paradigm where large language model (LLM)-based coding agents autonomously plan, execute, and interact with tools such as compilers, debuggers, and version control systems. Unlike conventional code…

Software Engineering · Computer Science 2025-09-16 Huanting Wang , Jingzhi Gong , Huawei Zhang , Jie Xu , Zheng Wang

Hyper-parameter optimization is one of the most tedious yet crucial steps in training machine learning models. There are numerous methods for this vital model-building stage, ranging from domain-specific manual tuning guidelines suggested…

Machine Learning · Computer Science 2023-03-08 Ahmad Esmaeili , Zahra Ghorrati , Eric T. Matson

Agentic coding tools, such as OpenAI Codex, Claude Code, and Cursor, are transforming the software engineering landscape. These AI-powered systems function as autonomous teammates capable of planning and executing complex development tasks.…

Software Engineering · Computer Science 2025-11-10 Kosei Horikawa , Hao Li , Yutaro Kashiwa , Bram Adams , Hajimu Iida , Ahmed E. Hassan

We present the meta-VQE, an algorithm capable to learn the ground state energy profile of a parametrized Hamiltonian. By training the meta-VQE with a few data points, it delivers an initial circuit parametrization that can be used to…

Quantum Physics · Physics 2021-06-01 Alba Cervera-Lierta , Jakob S. Kottmann , Alán Aspuru-Guzik

Configuring variational quantum algorithms for combinatorial optimization remains a difficult, expert-driven process requiring coordinated choices over solver family, ansatz, objective, and optimizer. We present AutoQResearch, an LLM-guided…

Quantum Physics · Physics 2026-04-28 Monit Sharma , Hoong Chuin Lau

Determining the ground state of a many-body Hamiltonian is a central problem across physics, chemistry, and combinatorial optimization, yet it is often classically intractable due to the exponential growth of Hilbert space with system size.…

Quantum Physics · Physics 2026-02-24 Jungyun Lee , Daniel K. Park

Quantum state preparation, a crucial subroutine in quantum computing, involves generating a target quantum state from initialized qubits. Arbitrary state preparation algorithms can be broadly categorized into arithmetic decomposition (AD)…

In the past year, large language models (LLMs) have had remarkable success in domains outside the traditional natural language processing, and their capacity is further expanded into the so-called LLM agents when connected with external…

Computation and Language · Computer Science 2025-02-17 Weizhe Chen , Sven Koenig , Bistra Dilkina

Recent progress in large-scale language models has enabled breakthroughs in previously intractable computer programming tasks. Prior work in meta-learning and neural architecture search has led to substantial successes across various task…

Artificial Intelligence · Computer Science 2023-02-06 Alex Sheng , Shankar Padmanabhan