Related papers: A real neural network state for quantum chemistry
Machine learning and specifically deep-learning methods have outperformed human capabilities in many pattern recognition and data processing problems, in game playing, and now also play an increasingly important role in scientific…
Restricted Boltzmann Machines (RBMs) are widely used probabilistic undirected graphical models with visible and latent nodes, playing an important role in statistics and machine learning. The task of structure learning for RBMs involves…
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…
Quantum computers hold promise to circumvent the limitations of conventional computing for difficult molecular problems. However, the accumulation of quantum logic errors on real devices represents a major challenge, particularly in the…
Neural-network quantum states (NQS) offer a versatile and expressive alternative to traditional variational ans\"atze for simulating physical systems. Energy-based frameworks, like Hopfield networks and Restricted Boltzmann Machines,…
As we enter a new era of quantum technology, it is increasingly important to develop methods to aid in the accurate preparation of quantum states for a variety of materials, matter, and devices. Computational techniques can be used to…
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…
One of the main challenges of quantum many-body physics is that the dimensionality of the Hilbert space grows exponentially with the system size, which makes it extremely difficult to solve the Schr\"{o}dinger equations of the system. But…
Nanomolecular assemblies of C$_{60}$ can be synthesized to enclose dipolar molecules. The low-temperature states of such endofullerenes are described by quantum mechanical rotors, which are candidates for quantum information devices with…
Precise physical descriptions of molecules can be obtained by solving the Schrodinger equation; however, these calculations are intractable and even approximations can be cumbersome. Force fields, which estimate interatomic potentials based…
Restricted Boltzmann machines (RBMs) and their extensions, called 'deep-belief networks', are powerful neural networks that have found applications in the fields of machine learning and artificial intelligence. The standard way to training…
Graphical models are powerful tools for modeling high-dimensional data, but learning graphical models in the presence of latent variables is well-known to be difficult. In this work we give new results for learning Restricted Boltzmann…
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…
The restricted Boltzmann machine (RBM) is a flexible tool for modeling complex data, however there have been significant computational difficulties in using RBMs to model high-dimensional multinomial observations. In natural language…
We propose a novel quantum model for the restricted Boltzmann machine (RBM), in which the visible units remain classical whereas the hidden units are quantized as noninteracting fermions. The free motion of the fermions is parametrically…
The Restricted Boltzmann Machine (RBM) is one of the simplest generative neural networks capable of learning input distributions. Despite its simplicity, the analysis of its performance in learning from the training data is only well…
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…
This review deals with Restricted Boltzmann Machine (RBM) under the light of statistical physics. The RBM is a classical family of Machine learning (ML) models which played a central role in the development of deep learning. Viewing it as a…
We introduce a novel quantum algorithm for the lattice Boltzmann method (LBM) based on the one-step simplified LBM. The structure of the algorithm allows for more flexibility in modelling different physics in contrast to earlier quantum…
The ground state of second-quantized quantum chemistry Hamiltonians provides access to an important set of chemical properties. Wavefunctions based on ML architectures have shown promise in approximating these ground states in a variety of…