Convolutional neural networks (CNNs) have been employed along with variational Monte Carlo methods for finding the ground state of quantum many-body spin systems with great success. However, it remains uncertain how CNNs, with a model complexity that scales at most linearly with the number of particles, solve the “curse of dimensionality” and efficiently represent wavefunctions in exponentially large Hilbert spaces. In this work, we use methodologies from information theory, group theory and machine learning, to elucidate how CNN captures relevant physics of quantum systems. We connect CNNs to a class of restricted maximum entropy (MaxEnt) and entangled plaquette correlator product state (EP-CPS) models that approximate symmetry constrained classical correlations between subsystems. For the final part of the puzzle, inspired by similar analyses for matrix product states and tensor networks, we show that the CNNs rely on the spectrum of each subsystem's entanglement Hamiltonians as captured by the size of the convolutional filter. All put together, these allow CNNs to simulate exponential quantum wave functions using a model that scales at most linear in system size as well as provide clues into when CNNs might fail to simulate Hamiltonians. We incorporate our insights into a new training algorithm and demonstrate its improved efficiency, accuracy, and robustness. Finally, we use regression analysis to show how the CNNs solutions can be used to identify salient physical features of the system that are the most relevant to an efficient approximation. Our integrated approach can be extended to similarly analyzing other neural network architectures and quantum spin systems.
Convolutional neural networks (CNNs) have been employed along with variational Monte Carlo methods for finding the ground state of quantum many-body spin systems with great success. However, it remains uncertain how CNNs, with a model complexity that scales at most linearly with the number of particles, solve the “curse of dimensionality” and efficiently represent wavefunctions in exponentially large Hilbert spaces. In this work, we use methodologies from information theory, group theory and machine learning, to elucidate how CNN captures relevant physics of quantum systems. We connect CNNs to a class of restricted maximum entropy (MaxEnt) and entangled plaquette correlator product state (EP-CPS) models that approximate symmetry constrained classical correlations between subsystems. For the final part of the puzzle, inspired by similar analyses for matrix product states and tensor networks, we show that the CNNs rely on the spectrum of each subsystem's entanglement Hamiltonians as captured by the size of the convolutional filter. All put together, these allow CNNs to simulate exponential quantum wave functions using a model that scales at most linear in system size as well as provide clues into when CNNs might fail to simulate Hamiltonians. We incorporate our insights into a new training algorithm and demonstrate its improved efficiency, accuracy, and robustness. Finally, we use regression analysis to show how the CNNs solutions can be used to identify salient physical features of the system that are the most relevant to an efficient approximation. Our integrated approach can be extended to similarly analyzing other neural network architectures and quantum spin systems.
Neural networks are a promising tool for simulating quantum many body systems. Recently, it has been shown that neural network-based models describe quantum many body systems more accurately when they are constrained to have the correct symmetry properties. In this paper, we show how to create maximally expressive models for quantum states with specific symmetry properties by drawing on literature from the machine learning community. We implement group equivariant convolutional networks (G-CNN) \cite{cohen2016group}, and demonstrate that performance improvements can be achieved without increasing memory use. We show that G-CNNs achieve very good accuracy for Heisenberg quantum spin models in both ordered and spin liquid regimes, and improve the ground state accuracy on the triangular lattice over other variational Monte-Carlo methods.
Efficient numerical methods are promising tools for delivering unique insights into the fascinating properties of physics, such as the highly frustrated quantum many-body systems. However, the computational complexity of obtaining the wave functions for accurately describing the quantum states increases exponentially with respect to particle number. Here we present a novel convolutional neural network (CNN) for simulating the two-dimensional highly frustrated spin-1/2J1−J2Heisenberg model, meanwhile the simulation is performed at an extreme scale system with low cost and high scalability. By ingenious employment of transfer learning and CNN’s translational invariance, we successfully investigate the quantum system with the lattice size up to24×24, within 30 million cores of the new generation of sunway supercomputer. The final achievement demonstrates the effectiveness of CNN-based representation of quantum-state and brings the state-of-the-art record up to a brand-new level from both aspects of remarkable accuracy and unprecedented scales.
Over the past few years, machine learning has emerged as a powerful computational tool to tackle complex problems in a broad range of scientific disciplines.In particular, artificial neural networks have been successfully used to mitigate the exponential complexity often encountered in quantum many-body physics, the study of properties of quantum systems built from a large number of interacting particles.In this article, we review some applications of neural networks in condensed matter physics and quantum information, with particular emphasis on hands-on tutorials serving as a quick start for a newcomer to the field.The prerequisites of this tutorial are basic probability theory and calculus, linear algebra, basic notions of neural networks, statistical physics, and quantum mechanics.The reader is introduced to supervised machine learning with convolutional neural networks to learn a phase transition, unsupervised learning with restricted Boltzmann machines to perform quantum tomography, and the variational Monte Carlo method with recurrent neural networks for approximating the ground state of a many-body Hamiltonian.For each algorithm, we briefly review the key ingredients and their corresponding neuralnetwork implementation, and show numerical experiments for a system of interacting Rydberg atoms in two dimensions.
Understanding strongly correlated quantum many-body systems requires dealing with a largeconfiguration space comprised of a set of all possible measurable configurations. The total number of configurations grows exponentially with the size of the system, which makes exact numerical calculations impossible for even moderately sized systems. Since the advent of high-temperature superconductivity and the subsequent interest in strongly correlated phases of matter, progress in the field has been marked by ingenuity of the field to overcome these computational limitations. The first techniques to emerge were inspired by quantum chemistry and based on exact diagonalization[1], which is limited to small clusters, and different variants of quantum Monte Carlo[2], that suffers from the sign problem in fermionic and frustrated systems. Circa 1992, the density matrix renormalization group (DMRG) [3, 4, 5, 6, 7] became one of the major breakthroughs of the past few decades. Despite the success of DMRG for one-dimensional(1D) and quasi-one-dimensional geometries, extensions to actual two-dimensional systems remain challenging and applications are constrained to long cylinders and strips. One promising alternative is to combine one the oldest methods, variational wave functions (VWFs), with neural networks, which have been used to recently with great success in machine learning. The focus of this dissertation is on developing novel variational Monte Carlo algorithms to make neural network variational wave functions applicable to many problems in quantum many-body physics. These algorithms draw from existing variational wave-function, tensor network, and machine learning methods. We calculate dynamical spectral functions using the vector correction and Chebyshev expansion method. We do finite temperature calculations with minimally entangled thermal states. Finally, we do ground state calculations for the frustrated J1−J2 Heisenberg model. We benchmark these results using restricted Boltzmann machines as the neural network for the the variational wave-functions.--Author's abstract
We introduce Neural Tensor Network States (νTNS), a variational many-body wave-function ansatz that integrates deep neural networks with tensor-network architectures. In the νTNS framework, a neural network serves as a disentangler of the wave-function, transforming the physical degrees of freedom into renormalized variables with much less entanglement. The renormalized state is then efficiently encoded by a back-flow tensor network. This construction yields a compact yet highly expressive representation of strongly correlated quantum states. Using convolutional neural networks combined with matrix product states as a concrete implementation, we obtain state-of-the-art variational energies for the spin-1/2J1-J2 Heisenberg model on the square lattice at the highly frustrated point J2/J1=0.5, for systems up to 20×20 with periodic boundary conditions. Finite-size scaling of spin, dimer, and plaquette correlations exhibits power-law decay without magnetic or valence-bond long-range order, consistent with a gapless quantum spin-liquid ground state at that point.This νTNS framework is flexible and naturally extensible to other neural and tensor-network structures, offering a general platform for investigating strongly correlated quantum many-body systems.
Over the past years, machine learning has emerged as a powerful computational tool to tackle complex problems over a broad range of scientific disciplines. In particular, artificial neural networks have been successfully deployed to mitigate the exponential complexity often encountered in quantum many-body physics, the study of properties of quantum systems built out of a large number of interacting particles. In this Article, we overview some applications of machine learning in condensed matter physics and quantum information, with particular emphasis on hands-on tutorials serving as a quick-start for a newcomer to the field. We present supervised machine learning with convolutional neural networks to learn a phase transition, unsupervised learning with restricted Boltzmann machines to perform quantum tomography, and variational Monte Carlo with recurrent neural-networks for approximating the ground state of a many-body Hamiltonian. We briefly review the key ingredients of each algorithm and their corresponding neural-network implementation, and show numerical experiments for a system of interacting Rydberg atoms in two dimensions.