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Efficient sampling of unnormalized probability densities such as the Boltzmann distribution of molecular systems is a longstanding challenge. Next to conventional approaches like molecular dynamics or Markov chain Monte Carlo, variational…

Machine Learning · Computer Science 2025-06-18 Henrik Schopmans , Pascal Friederich

Parameterized artificial neural networks (ANNs) can be very expressive ansatzes for variational algorithms, reaching state-of-the-art energies on many quantum many-body Hamiltonians. Nevertheless, the training of the ANN can be slow and…

Quantum Physics · Physics 2025-06-04 Conor Smith , Quinn T. Campbell , Tameem Albash

The promise of quantum neural nets, which utilize quantum effects to model complex data sets, has made their development an aspirational goal for quantum machine learning and quantum computing in general. Here we provide new methods of…

Quantum Physics · Physics 2017-12-27 Maria Kieferova , Nathan Wiebe

Restricted Boltzmann machines (RBMs) are a powerful class of generative models, but their training requires computing a gradient that, unlike supervised backpropagation on typical loss functions, is notoriously difficult even to…

Machine Learning · Computer Science 2020-11-03 Haik Manukian , Yan Ru Pei , Sean R. B. Bearden , Massimiliano Di Ventra

Unsupervised machine learning via a restricted Boltzmann machine is an useful tool in distinguishing an ordered phase from a disordered phase. Here we study its application on the two-dimensional Ashkin-Teller model, which features a…

Disordered Systems and Neural Networks · Physics 2018-04-03 Wen-Jia Rao , Zhenyu Li , Qiong Zhu , Mingxing Luo , Xin Wan

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

Quantum annealing (QA) is a hardware-based heuristic optimization and sampling method applicable to discrete undirected graphical models. While similar to simulated annealing, QA relies on quantum, rather than thermal, effects to explore…

We propose a novel distributionally robust $Q$-learning algorithm for the non-tabular case accounting for continuous state spaces where the state transition of the underlying Markov decision process is subject to model uncertainty. The…

Machine Learning · Computer Science 2025-05-27 Chung I Lu , Julian Sester , Aijia Zhang

Training Restricted Boltzmann Machines (RBMs) has been challenging for a long time due to the difficulty of computing precisely the log-likelihood gradient. Over the past decades, many works have proposed more or less successful training…

Machine Learning · Computer Science 2022-12-07 Aurélien Decelle , Cyril Furtlehner , Beatriz Seoane

The Boltzmann distribution predicts the collective behavior of systems at thermodynamic equilibrium as a function of their constituent parts. Yet most systems in nature are not at equilibrium, and a unified theory of their behavior does not…

Statistical Mechanics · Physics 2018-10-16 Milo M. Lin

We introduce Thurstonian Boltzmann Machines (TBM), a unified architecture that can naturally incorporate a wide range of data inputs at the same time. Our motivation rests in the Thurstonian view that many discrete data types can be…

Machine Learning · Statistics 2014-08-04 Truyen Tran , Dinh Phung , Svetha Venkatesh

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

Maximum Likelihood Estimation (MLE) is the bread and butter of system inference for stochastic systems. In some generality, MLE will converge to the correct model in the infinite data limit. In the context of physical approaches to system…

Machine Learning · Statistics 2020-03-11 Junghyo Jo , Danh-Tai Hoang , Vipul Periwal

Noisy Intermediate-Scale Quantum computers are expected to be available this year. It is proposed to exploit such a device for decision making under uncertainty. The probabilistic character of quantum mechanics reflects this uncertainty.…

Quantum Physics · Physics 2019-11-15 H. W. L. Naus

We conduct experimental simulations of many body quantum systems using a \emph{hybrid} classical-quantum algorithm. In our setup, the wave function of the transverse field quantum Ising model is represented by a restricted Boltzmann…

Quantum Physics · Physics 2018-12-05 Bartłomiej Gardas , Marek M. Rams , Jacek Dziarmaga

Analog Ising machines (AIMs) have emerged as a promising paradigm for combinatorial optimization, utilizing physical dynamics to solve Ising problems with high energy efficiency. However, the performance of traditional optimization and…

Machine Learning · Computer Science 2026-02-11 Aditya Choudhary , Saaketh Desai , Prasad Iyer

Analyzing quantum many-body problems and elucidating the entangled structure of quantum states is a significant challenge common to a wide range of fields. Recently, a novel approach using machine learning was introduced to address this…

Strongly Correlated Electrons · Physics 2023-11-15 Yusuke Nomura

Boltzmann sampling is a central component of many computational frameworks, including numerous algorithms in machine learning. Although quantum annealers have been investigated as potential fast Boltzmann samplers, their dependence on…

Statistical Mechanics · Physics 2026-04-15 Ju-Yeon Gyhm , Gilhan Kim , Hyukjoon Kwon , Yongjoo Baek

A general Boltzmann machine with continuous visible and discrete integer valued hidden states is introduced. Under mild assumptions about the connection matrices, the probability density function of the visible units can be solved for…

Machine Learning · Statistics 2020-01-29 Daniel Krefl , Stefano Carrazza , Babak Haghighat , Jens Kahlen

Efficient sampling from high-dimensional and multimodal unnormalized probability distributions is a central challenge in many areas of science and machine learning. We focus on Boltzmann generators (BGs) that aim to sample the Boltzmann…

Machine Learning · Computer Science 2026-03-03 Christopher von Klitzing , Denis Blessing , Henrik Schopmans , Pascal Friederich , Gerhard Neumann