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A computationally efficient protocol for machine learning in chemical space using Boltzmann ensembles of conformers as input is proposed; the method is based on rewriting Kernel Ridge Regression expressions in terms of Structured Orthogonal…

Chemical Physics · Physics 2025-07-11 Konstantin Karandashev

We investigate the thermodynamic properties of a Restricted Boltzmann Machine (RBM), a simple energy-based generative model used in the context of unsupervised learning. Assuming the information content of this model to be mainly reflected…

Disordered Systems and Neural Networks · Physics 2018-08-20 Aurélien Decelle , Giancarlo Fissore , Cyril Furtlehner

We present an efficient classical algorithm for training deep Boltzmann machines (DBMs) that uses rejection sampling in concert with variational approximations to estimate the gradients of the training objective function. Our algorithm is…

Machine Learning · Computer Science 2015-07-10 Nathan Wiebe , Ashish Kapoor , Christopher Granade , Krysta M Svore

Modeling quantum many-body systems is enormously challenging due to the exponential scaling of Hilbert dimension with system size. Finding efficient compressions of the wavefunction is key to building scalable models. Here, we introduce…

Computational Physics · Physics 2020-03-16 Christopher Roth

Restricted Boltzmann Machines (RBMs) are general unsupervised learning devices to ascertain generative models of data distributions. RBMs are often trained using the Contrastive Divergence learning algorithm (CD), an approximation to the…

Machine Learning · Computer Science 2014-04-10 David Buchaca , Enrique Romero , Ferran Mazzanti , Jordi Delgado

The ground-state and low-energy excitations of quantum Hall systems are studied by the density matrix renormalization group (DMRG) method. From the ground-state pair correlation functions and low-energy excitions, the ground-state phase…

Strongly Correlated Electrons · Physics 2009-06-08 Naokazu Shibata

The rotation of trapped molecules offers a promising platform for quantum technologies and quantum information processing. In parallel, quantum error correction codes that can protect quantum information encoded in rotational states of a…

We consider restricted Boltzmann machines with a binary visible layer and a Gaussian hidden layer trained by an unlabelled dataset composed of noisy realizations of a single ground pattern. We develop a statistical mechanics framework to…

Disordered Systems and Neural Networks · Physics 2024-06-17 Alberto Fachechi , Elena Agliari , Miriam Aquaro , Anthony Coolen , Menno Mulder

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

We develop a machine learning method to construct accurate ground-state wave functions of strongly interacting and entangled quantum spin as well as fermionic models on lattices. A restricted Boltzmann machine algorithm in the form of an…

Strongly Correlated Electrons · Physics 2017-11-30 Yusuke Nomura , Andrew S. Darmawan , Youhei Yamaji , Masatoshi Imada

This work analyzes centered binary Restricted Boltzmann Machines (RBMs) and binary Deep Boltzmann Machines (DBMs), where centering is done by subtracting offset values from visible and hidden variables. We show analytically that (i)…

Machine Learning · Statistics 2017-02-08 Jan Melchior , Asja Fischer , Laurenz Wiskott

Rydberg atom arrays have emerged as a powerful platform to simulate a number of exotic quantum ground states and phase transitions. To verify these capabilities numerically, we develop a versatile quantum Monte Carlo sampling technique…

Strongly Correlated Electrons · Physics 2026-01-28 Pranay Patil

Tomographic reconstruction of the many-body quantum state of a scalable qubit system is of paramount importance in quantum computing technologies. However, conventional approaches which use tomographically orthogonal base measurements…

Quantum Physics · Physics 2024-10-31 Kangheun Kim , Jaewook Ahn

The Restricted Boltzmann Machine (RBM), an important tool used in machine learning in particular for unsupervized learning tasks, is investigated from the perspective of its spectral properties. Starting from empirical observations, we…

Disordered Systems and Neural Networks · Physics 2018-01-17 Aurélien Decelle , Giancarlo Fissore , Cyril Furtlehner

Preparation of a target quantum many-body state on quantum simulators is one of the significant steps in quantum science and technology. With a small number of qubits, a few quantum states, such as the Greenberger-Horne-Zeilinger state,…

Quantum Physics · Physics 2023-07-28 Donggyu Kim , Eun-Gook Moon

Deep generative models have become ubiquitous due to their ability to learn and sample from complex distributions. Despite the proliferation of various frameworks, the relationships among these models remain largely unexplored, a gap that…

Machine Learning · Computer Science 2025-10-24 J. Quetzalcóatl Toledo-Marin , Anindita Maiti , Geoffrey C. Fox , Roger G. Melko

The last several decades have seen significant advances in the theoretical modeling of materials within the fields of solid-state physics and materials science, but many methods commonly applied to this problem struggle to capture strong…

Strongly Correlated Electrons · Physics 2025-04-07 Anna O. Schouten , Simon Ewing , David A. Mazziotti

We employ machine learning techniques to provide accurate variational wavefunctions for matrix quantum mechanics, with multiple bosonic and fermionic matrices. Variational quantum Monte Carlo is implemented with deep generative flows to…

High Energy Physics - Theory · Physics 2020-04-01 Xizhi Han , Sean A. Hartnoll

Complete characterization of states and processes that occur within quantum devices is crucial for understanding and testing their potential to outperform classical technologies for communications and computing. However, solving this task…

Quantum Physics · Physics 2020-05-07 E. S. Tiunov , V. V. Tiunova , A. E. Ulanov , A. I. Lvovsky , A. K. Fedorov

We investigate how Restricted Boltzmann Machines (RBMs) encode antiferromagnetic order when trained as variational ans\"atze for one-dimensional Heisenberg spin rings with periodic boundary conditions. Through systematic hidden unit…

Strongly Correlated Electrons · Physics 2026-03-26 Bharadwaj Chowdary Mummaneni , Manas Sajjan
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