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Computing equilibrium states in condensed-matter many-body systems, such as solvated proteins, is a long-standing challenge. Lacking methods for generating statistically independent equilibrium samples in "one shot", vast computational…

Machine Learning · Statistics 2019-07-15 Frank Noé , Simon Olsson , Jonas Köhler , Hao Wu

The generation of equilibrium samples of molecular systems has been a long-standing problem in statistical physics. Boltzmann Generators are a generative machine learning method that addresses this issue by learning a transformation via a…

Machine Learning · Statistics 2025-02-04 Leon Klein , Frank Noé

In this thesis we explore using the D-Wave Advantage 4.1 quantum annealer to sample from quantum Boltzmann distributions and train quantum Boltzmann machines (QBMs). We focus on the real-world problem of using QBMs as generative models to…

Quantum Physics · Physics 2023-02-01 Cameron Perot

The ability to perform ab initio molecular dynamics simulations using potential energies calculated on quantum computers would allow virtually exact dynamics for chemical and biochemical systems, with substantial impacts on the fields of…

The Boltzmann Machine (BM) is a neural network composed of stochastically firing neurons that can learn complex probability distributions by adapting the synaptic interactions between the neurons. BMs represent a very generic class of…

Mesoscale and Nanoscale Physics · Physics 2021-09-16 Brian Kiraly , Elze J. Knol , Hilbert J. Kappen , Alexander A. Khajetoorians

We present transductive Boltzmann machines (TBMs), which firstly achieve transductive learning of the Gibbs distribution. While exact learning of the Gibbs distribution is impossible by the family of existing Boltzmann machines due to…

Machine Learning · Statistics 2018-05-22 Mahito Sugiyama , Koji Tsuda , Hiroyuki Nakahara

A way to construct Boltzmann entropy, i.e., the entropy as a function of a microscopic pure state, for quantum field systems is proposed. Operators that shift the field in wavevector space are used in the construction. By employing an…

Statistical Mechanics · Physics 2020-03-25 Kyo Yoshida

We analyze the thermalization properties and the validity of the Eigenstate Thermalization Hypothesis in a generic class of quantum Hamiltonians where the quench parameter explicitly breaks a Z_2 symmetry. Natural realizations of such…

Statistical Mechanics · Physics 2015-03-19 G. P. Brandino , A. De Luca , R. M. Konik , G. Mussardo

We introduce theoretically grounded Continuous Semi-Quantum Boltzmann Machines (CSQBMs) that supports continuous-action reinforcement learning. By combining exponential-family priors over visible units with quantum Boltzmann distributions…

Machine Learning · Computer Science 2025-11-10 Thore Gerlach , Michael Schenk , Verena Kain

Boltzmann's principle is used to select the "most probable" realization (macrostate) of an isolated or closed thermodynamic system, containing a small number of particles ($N \llsp \infty$), for both classical and quantum statistics. The…

Statistical Mechanics · Physics 2015-05-13 Robert K. Niven

Quantum Transfer Learning (QTL) recently gained popularity as a hybrid quantum-classical approach for image classification tasks by efficiently combining the feature extraction capabilities of large Convolutional Neural Networks with the…

We review Boltzmann machines and energy-based models. A Boltzmann machine defines a probability distribution over binary-valued patterns. One can learn parameters of a Boltzmann machine via gradient based approaches in a way that log…

Neural and Evolutionary Computing · Computer Science 2019-01-21 Takayuki Osogami

Simulations are performed of a small quantum system interacting with a quantum environment. The system consists of various initial states of two harmonic oscillators coupled to give normal modes. The environment is "designed" by its level…

Statistical Mechanics · Physics 2015-06-15 George L. Barnes , Michael E. Kellman

In this paper we explore the following question: can the probabilities constituting the quantum Boltzmann distribution, $P^B_n \propto e^{-E_n/kT}$, be derived from a requirement that the quantum configuration-space distribution for a…

Quantum Physics · Physics 2018-08-01 Sam Alterman , Jaeho Choi , Rebecca Durst , Sarah M. Fleming , William K. Wootters

Derivation of the canonical (or Boltzmann) distribution based only on quantum dynamics is discussed. Consider a closed system which consists of mutually interacting subsystem and heat bath, and assume that the whole system is initially in a…

Statistical Mechanics · Physics 2009-10-30 Hal Tasaki

Generative modeling with machine learning has provided a new perspective on the data-driven task of reconstructing quantum states from a set of qubit measurements. As increasingly large experimental quantum devices are built in…

Virtually all aspects of many-body atomic physics are challenging: experiments are technically demanding, datasets have become enormous, and the memory and CPU requirements for classical simulation of generic quantum systems often scale…

Quantum Gases · Physics 2026-05-19 I. B. Spielman amd J. P. Zwolak

Bayesian inference is a widely used technique for real-time characterization of quantum systems. It excels in experimental characterization in the low data regime, and when the measurements have degrees of freedom. A decisive factor for its…

Quantum Physics · Physics 2025-07-10 Alexandra Ramôa , Raffaele Santagati , Nathan Wiebe

Neural-network quantum states have shown great potential for the study of many-body quantum systems. In statistical machine learning, transfer learning designates protocols reusing features of a machine learning model trained for a problem…

We consider M systems (each an electron in a long square cylinder) uniformly arranged on a ring and with Coulomb interactions. Exact straightforward numerical time-dependent perturbation calculation of a single N-level ($\lesssim 7$)…

General Physics · Physics 2021-06-03 Michael J. Caola