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Quantum computing offers potential solutions for finding ground states in condensed-matter physics and chemistry. However, achieving effective ground state preparation is also computationally hard for arbitrary Hamiltonians. It is necessary…

Subspace methods are powerful, noise-resilient methods that can effectively prepare ground states on quantum computers. The challenge is to get a subspace with a small condition number that spans the states of interest using minimal quantum…

Quantum Physics · Physics 2025-05-07 Anjali A. Agrawal , João C. Getelina , Akhil Francis , A. F. Kemper

Fully automated self-driving laboratories are promising to enable high-throughput and large-scale scientific discovery by reducing repetitive labour. However, effective automation requires deep integration of laboratory knowledge, which is…

Artificial Intelligence · Computer Science 2025-09-30 Shuxiang Cao , Zijian Zhang , Mohammed Alghadeer , Simone D Fasciati , Michele Piscitelli , Mustafa Bakr , Peter Leek , Alán Aspuru-Guzik

Recent advances in large language models (LLMs) have given rise to powerful coding agents, making it possible for code assistants to evolve into code engineers. However, existing methods still face significant challenges in achieving…

Software Engineering · Computer Science 2025-12-10 Zongwei Li , Zhonghang Li , Zirui Guo , Xubin Ren , Chao Huang

Quantum algorithms are promising candidates for the enhancement of computational efficiency for a variety of computational tasks, allowing for the numerical study of physical systems intractable to classical computers. In the Noisy…

Quantum Physics · Physics 2021-05-13 Marco Majland , Nikolaj Thomas Zinner

Quantum hardware and quantum-inspired algorithms are becoming increasingly popular for combinatorial optimization. However, these algorithms may require careful hyperparameter tuning for each problem instance. We use a reinforcement…

Machine Learning · Computer Science 2021-03-22 Dmitrii Beloborodov , A. E. Ulanov , Jakob N. Foerster , Shimon Whiteson , A. I. Lvovsky

The variational quantum eigensolver (VQE) is a hybrid algorithm that has the potential to provide a quantum advantage in practical chemistry problems that are currently intractable on classical computers. VQE trains parameterized quantum…

Quantum Physics · Physics 2023-11-10 Quoc Hoan Tran , Shinji Kikuchi , Hirotaka Oshima

Quantum optimization algorithms offer a promising route to finding the ground states of target Hamiltonians on near-term quantum devices. None the less, it remains necessary to limit the evolution time and circuit depth as much as possible,…

Quantum Physics · Physics 2022-11-01 Chenfeng Cao , Yunlong Yu , Zipeng Wu , Nic Shannon , Bei Zeng , Robert Joynt

This work studies the applicability of automatic AI agent optimization methods to real-world agents in formal verification settings, focusing on automated theorem proving in Rocq as a representative and challenging domain. We evaluate how…

Artificial Intelligence · Computer Science 2026-02-06 Andrei Kozyrev , Nikita Khramov , Denis Lochmelis , Valerio Morelli , Gleb Solovev , Anton Podkopaev

Even a minor boost in solving combinatorial optimization problems can greatly benefit multiple industries. Quantum computers, with their unique information processing capabilities, hold promise for delivering such enhancements. The…

Quantum Physics · Physics 2025-05-15 Gabriel Marin-Sanchez , David Amaro

Agentic workflows, where multiple AI agents collaborate to accomplish complex tasks like reasoning or planning, play a substantial role in many cutting-edge commercial applications, and continue to fascinate researchers across fields for…

Computation and Language · Computer Science 2025-11-10 Deepak Pandita , Tharindu Cyril Weerasooriya , Ankit Parag Shah , Isabelle Diana May-Xin Ng , Christopher M. Homan , Wei Wei

Recent advancements in Large Language Models (LLMs) have spurred interest in deploying LLM agents to undertake tasks in the world. LLMs are often deployed in agent systems: code that orchestrates LLM calls and provides them with tools. We…

Artificial Intelligence · Computer Science 2025-05-20 Maxime Robeyns , Martin Szummer , Laurence Aitchison

Estimation of physical observables for unknown quantum states is an important problem that underlies a wide range of fields, including quantum information processing, quantum physics, and quantum chemistry. In the context of quantum…

Quantum Physics · Physics 2024-05-21 Yuma Nakamura , Yoshichika Yano , Nobuyuki Yoshioka

The Variational Quantum Eigensolver (VQE) is a promising candidate for quantum applications on near-term Noisy Intermediate-Scale Quantum (NISQ) computers. Despite a lot of empirical studies and recent progress in theoretical understanding…

Quantum Physics · Physics 2022-05-26 Xuchen You , Shouvanik Chakrabarti , Xiaodi Wu

Advances in inference methods have enabled language models to improve their predictions without additional training. These methods often prioritize raw performance over cost-effective compute usage. However, computational efficiency is key…

Artificial Intelligence · Computer Science 2026-05-05 Florian Valentin Wunderlich , Lars Benedikt Kaesberg , Jan Philip Wahle , Terry Ruas , Bela Gipp

We propose a method to efficiently learn diverse strategies in reinforcement learning for query reformulation in the tasks of document retrieval and question answering. In the proposed framework an agent consists of multiple specialized…

Machine Learning · Computer Science 2018-12-27 Rodrigo Nogueira , Jannis Bulian , Massimiliano Ciaramita

As new advancements in the field of quantum computing lead to the development of increasingly complex programs, approaches to validate and debug these programs are becoming more important. To this end, methods employed in classical…

Quantum Physics · Physics 2024-12-20 Damian Rovara , Lukas Burgholzer , Robert Wille

Quantum annealing is a heuristic algorithm for searching the ground state of an Ising model. Heuristic algorithms aim to obtain near-optimal solutions with a reasonable computation time. Accordingly, many algorithms have so far been…

Quantum Physics · Physics 2022-11-09 Shuntaro Okada , Masayuki Ohzeki

As the demand for computational power grows, optimizing code through compilers becomes increasingly crucial. In this context, we focus on fully automatic code optimization techniques that automate the process of selecting and applying code…

Programming Languages · Computer Science 2025-11-11 Yacine Hakimi , Riyadh Baghdadi

Variational quantum eigensolver (VQE), which attracts attention as a promising application of noisy intermediate-scale quantum devices, finds a ground state of a given Hamiltonian by variationally optimizing the parameters of quantum…

Quantum Physics · Physics 2022-05-12 Fumiyoshi Kobayashi , Kosuke Mitarai , Keisuke Fujii
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