Related papers: Mean-Field Assisted Deep Boltzmann Learning with P…

Bayesian inference promises to ground and improve the performance of deep neural networks. It promises to be robust to overfitting, to simplify the training procedure and the space of hyperparameters, and to provide a calibrated measure of…

The restricted Boltzmann machine (RBM) is a neural network based on the Ising model, well known for its ability to learn probability distributions and stochastically generate new content. However, the high computational cost of Gibbs…

The projective quantum Monte Carlo (PQMC) algorithms are among the most powerful computational techniques to simulate the ground state properties of quantum many-body systems. However, they are efficient only if a sufficiently accurate…

Restricted Boltzmann machines (RBM) and deep Boltzmann machines (DBM) are important models in machine learning, and recently found numerous applications in quantum many-body physics. We show that there are fundamental connections between…

Dynamical Mean-Field Theory (DMFT) has opened new perspectives for the investigation of strongly correlated electron systems and greatly improved our understanding of correlation effects in models and materials. In contrast to…

In (M Hodapp and A Shapeev 2020 Mach. Learn.: Sci. Technol. 1 045005), we have proposed an algorithm that fully automatically trains machine-learning interatomic potentials (MLIPs) during large-scale simulations, and successfully applied it…

Energy based models (EBMs) are appealing due to their generality and simplicity in likelihood modeling, but have been traditionally difficult to train. We present techniques to scale MCMC based EBM training on continuous neural networks,…

We present an approach to generate machine-learned force fields (MLFF) with beyond density functional theory (DFT) accuracy. Our approach combines on-the-fly active learning and $\Delta$-machine learning in order to generate an MLFF for…

An extreme learning machine (ELM) is a three-layered feed-forward neural network having untrained parameters, which are randomly determined before training. Inspired by the idea of ELM, a probabilistic untrained layer called a…

We show how machine learning techniques based on Bayesian inference can be used to reach new levels of realism in the computer simulation of molecular materials, focusing here on water. We train our machine-learning algorithm using…

A basic challenge in experimental physics is the extraction of information related to variables that are not directly measured. The challenge is particularly severe in quantum systems where one may be interested in correlations of operators…

Reconstruction of PET images is an ill-posed inverse problem and often requires iterative algorithms to achieve good image quality for reliable clinical use in practice, at huge computational costs. In this paper, we consider the PET…

The bold diagrammatic Monte Carlo (BDMC) method performs an unbiased sampling of Feynman's diagrammatic series using skeleton diagrams. For lattice models the efficiency of BDMC can be dramatically improved by incorporating dynamic…

Machine Learning (ML)-based force fields are attracting ever-increasing interest due to their capacity to span spatiotemporal scales of classical interatomic potentials at quantum-level accuracy. They can be trained based on high-fidelity…

Deep Learning and its applications have gained tremendous interest recently in both academia and industry. Restricted Boltzmann Machines (RBMs) offer a key methodology to implement deep learning paradigms. This paper presents a novel…

The deep Boltzmann machine (DBM) has been an important development in the quest for powerful "deep" probabilistic models. To date, simultaneous or joint training of all layers of the DBM has been largely unsuccessful with existing training…

We present a real-world application that uses a quantum computer. Specifically, we train a RBM using QA for cybersecurity applications. The D-Wave 2000Q has been used to implement QA. RBMs are trained on the ISCX data, which is a benchmark…

Approximating a probability distribution using a set of particles is a fundamental problem in machine learning and statistics, with applications including clustering and quantization. Formally, we seek a weighted mixture of Dirac measures…

Machine learning methods are powerful in distinguishing different phases of matter in an automated way and provide a new perspective on the study of physical phenomena. We train a Restricted Boltzmann Machine (RBM) on data constructed with…

Computational chemistry has come a long way over the course of several decades, enabling subatomic level calculations particularly with the development of Density Functional Theory (DFT). Recently, machine-learned potentials (MLP) have…