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In this paper we present a new Monte Carlo Search (MCS) algorithm for finding the ground state energy of proteins in the HP-model. We also compare it briefly to other MCS algorithms not usually used on the HP-model and provide an overview…

Artificial Intelligence · Computer Science 2023-01-26 Milo Roucairol , Tristan Cazenave

The search for quantum algorithms to tackle classical combinatorial optimization problems has long been one of the most attractive yet challenging research topics in quantum computing. In this context, variational quantum algorithms (VQA)…

Quantum Physics · Physics 2025-04-15 Andoni Agirre , Evert Van Nieuwenburg , Matteo M. Wauters

Many quantum many-body wavefunctions, such as Jastrow-Slater, tensor network, and neural quantum states, are studied with the variational Monte Carlo technique, where stochastic optimization is usually performed to obtain a faithful…

Strongly Correlated Electrons · Physics 2025-08-21 Ruojing Peng , Garnet Kin-Lic Chan

Variational algorithms are promising candidates to be implemented on near-term quantum computers. The variational quantum eigensolver (VQE) is a prominent example, where a parametrized trial state of the quantum mechanical wave function is…

We show that neural quantum states based on very deep (4--16-layered) neural networks can outperform state-of-the-art variational approaches on highly frustrated quantum magnets, including quantum-spin-liquid candidates. We focus on group…

Strongly Correlated Electrons · Physics 2023-09-25 Christopher Roth , Attila Szabó , Allan MacDonald

Quantum Monte Carlo methods are first-principle approaches that approximately solve the Schr\"odinger equation stochastically. As compared to traditional quantum chemistry methods, they offer important advantages such as the ability to…

Chemical Physics · Physics 2020-02-11 Jonas Feldt , Claudia Filippi

We provide theoretical convergence bounds for the variational Monte Carlo (VMC) method as applied to optimize neural network wave functions for the electronic structure problem. We study both the energy minimization phase and the supervised…

Machine Learning · Computer Science 2025-03-07 Nilin Abrahamsen , Zhiyan Ding , Gil Goldshlager , Lin Lin

Deep neural networks can represent very different sorts of functions, including complex quantum many-body states. Tensor networks can also represent these states, have more structure and are easier to optimize. However, they can be…

Strongly Correlated Electrons · Physics 2026-04-22 Miha Srdinšek , Xavier Waintal

Many high dimensional optimization problems can be reformulated into a problem of finding theoptimal state path under an equivalent state space model setting. In this article, we present a general emulation strategy for developing a state…

Methodology · Statistics 2019-11-19 Chencheng Cai , Rong Chen

Many probabilistic models of interest in scientific computing and machine learning have expensive, black-box likelihoods that prevent the application of standard techniques for Bayesian inference, such as MCMC, which would require access to…

Machine Learning · Statistics 2018-11-30 Luigi Acerbi

We present a quantum algorithm for simulating complex many-body systems and finding their ground states, combining the use of tensor networks and density matrix renormalization group (DMRG) techniques. The algorithm is based on von…

Quantum Physics · Physics 2026-03-06 Younes Javanmard

A quantum Monte Carlo method with non-local update scheme is presented. The method is based on a path-integral decomposition and a worm operator which is local in imaginary time. It generates states with a fixed number of particles and…

Statistical Mechanics · Physics 2009-11-11 Kris Van Houcke , Stefan Rombouts , Lode Pollet

Neural Network-based Quantum Monte Carlo (NNQMC), an emerging method for solving many-body quantum systems with high accuracy, has been limitedly applied to small systems due to demanding computation requirements. In this work, we introduce…

The quantum many-body problem lies at the center of the most important open challenges in condensed matter, quantum chemistry, atomic, nuclear, and high-energy physics. While quantum Monte Carlo, when applicable, remains the most powerful…

Strongly Correlated Electrons · Physics 2022-06-30 Hongwei Chen , Douglas Hendry , Phillip Weinberg , Adrian E. Feiguin

Quantum computing and quantum Monte Carlo (QMC) are respectively the state-of-the-art quantum and classical computing methods for understanding many-body quantum systems. Here, we propose a hybrid quantum-classical algorithm that integrates…

Quantum Physics · Physics 2025-11-17 Yukun Zhang , Yifei Huang , Jinzhao Sun , Dingshun Lv , Xiao Yuan

The performance of Variational Quantum Algorithms (VQAs) strongly depends on the choice of the parameterized quantum circuit to optimize. One of the biggest challenges in VQAs is designing quantum circuits tailored to the particular…

Quantum Physics · Physics 2026-05-06 Vincenzo Lipardi , Domenica Dibenedetto , Georgios Stamoulis , Mark H. M. Winands

Owing to their great expressivity and versatility, neural networks have gained attention for simulating large two-dimensional quantum many-body systems. However, their expressivity comes with the cost of a challenging optimization due to…

Disordered Systems and Neural Networks · Physics 2025-03-26 Hannah Lange , Guillaume Bornet , Gabriel Emperauger , Cheng Chen , Thierry Lahaye , Stefan Kienle , Antoine Browaeys , Annabelle Bohrdt

Variational quantum algorithms (VQAs) have emerged in recent years as a promise to obtain quantum advantage. These task-oriented algorithms work in a hybrid loop combining a quantum processor and classical optimization. Using a specific…

This work introduces optimization strategies to continuous variable measurement based quantum computation (MBQC) at different levels. We provide a recipe for mitigating the effects of finite squeezing, which affect the production of cluster…

Quantum Physics · Physics 2016-05-11 G. Ferrini , J. Roslund , F. Arzani , Y. Cai , C. Fabre , N. Treps

The Markov Chain Monte Carlo method is at the heart of efficient approximation schemes for a wide range of problems in combinatorial enumeration and statistical physics. It is therefore very natural and important to determine whether…

Quantum Physics · Physics 2009-11-13 Pawel Wocjan , Anura Abeyesinghe