Solving the quantum many-body problem with artificial neural networks

Machine learning and quantum physics Elucidating the behavior of quantum interacting systems of many particles remains one of the biggest challenges in physics. Traditional numerical methods often work well, but some of the most interesting problems leave them stumped. Carleo and Troyer harnessed the power of machine learning to develop a variational approach to the quantum many-body problem (see the Perspective by Hush). The method performed at least as well as state-of-the-art approaches, setting a benchmark for a prototypical two-dimensional problem. With further development, it may well prove a valuable piece in the quantum toolbox. Science, this issue p. 602; see also p. 580 A machine-learning approach sets a computational benchmark for a prototypical two-dimensional problem. The challenge posed by the many-body problem in quantum physics originates from the difficulty of describing the nontrivial correlations encoded in the exponential complexity of the many-body wave function. Here we demonstrate that systematic machine learning of the wave function can reduce this complexity to a tractable computational form for some notable cases of physical interest. We introduce a variational representation of quantum states based on artificial neural networks with a variable number of hidden neurons. A reinforcement-learning scheme we demonstrate is capable of both finding the ground state and describing the unitary time evolution of complex interacting quantum systems. Our approach achieves high accuracy in describing prototypical interacting spins models in one and two dimensions.

[1]  V. Tikhomirov On the Representation of Continuous Functions of Several Variables as Superpositions of Continuous Functions of a Smaller Number of Variables , 1991 .

[2]  Guifré Vidal Efficient simulation of one-dimensional quantum many-body systems. , 2004, Physical review letters.

[3]  R. Needs,et al.  Quantum Monte Carlo simulations of solids , 2001 .

[4]  Michael A. Saunders,et al.  Algorithm 937: MINRES-QLP for symmetric and Hermitian linear equations and least-squares problems , 2013, TOMS.

[5]  Matthias Troyer,et al.  Computational complexity and fundamental limitations to fermionic quantum Monte Carlo simulations , 2004, Physical review letters.

[6]  G. Vidal,et al.  Time-dependent density-matrix renormalization-group using adaptive effective Hilbert spaces , 2004 .

[7]  A. Sandvik Finite-size scaling of the ground-state parameters of the two-dimensional Heisenberg model , 1997, cond-mat/9707123.

[8]  N. Metropolis,et al.  Equation of State Calculations by Fast Computing Machines , 1953, Resonance.

[9]  F. Verstraete,et al.  Complete-graph tensor network states: a new fermionic wave function ansatz for molecules , 2010, 1004.5303.

[10]  J. Frenkel,et al.  Wave mechanics: Advanced general theory , 1934 .

[11]  Ira L. Karp Ground State of Liquid Helium , 1959 .

[12]  Lei Wang,et al.  Discovering phase transitions with unsupervised learning , 2016, 1606.00318.

[13]  F. Verstraete,et al.  Matrix product states, projected entangled pair states, and variational renormalization group methods for quantum spin systems , 2008, 0907.2796.

[14]  M. Friesdorf,et al.  51 48 v 2 [ qu an tph ] 1 S ep 2 01 5 Quantum many-body systems out of equilibrium , 2015 .

[15]  J. Ignacio Cirac,et al.  Ground-state properties of quantum many-body systems: entangled-plaquette states and variational Monte Carlo , 2009, 0905.3898.

[16]  R. Nieminen,et al.  Stochastic gradient approximation: An efficient method to optimize many-body wave functions , 1997 .

[17]  U. Schollwoeck The density-matrix renormalization group in the age of matrix product states , 2010, 1008.3477.

[18]  S. Rommer,et al.  CLASS OF ANSATZ WAVE FUNCTIONS FOR ONE-DIMENSIONAL SPIN SYSTEMS AND THEIR RELATION TO THE DENSITY MATRIX RENORMALIZATION GROUP , 1997 .

[19]  J. Cirac,et al.  Algorithms for finite projected entangled pair states , 2014, 1405.3259.

[20]  G. Carleo,et al.  Light-cone effect and supersonic correlations in one- and two-dimensional bosonic superfluids , 2013, 1310.2246.

[21]  Guigang Zhang,et al.  Deep Learning , 2016, Int. J. Semantic Comput..

[22]  Roger G. Melko,et al.  Machine learning phases of matter , 2016, Nature Physics.

[23]  F. Y. Wu,et al.  The Ground State of Liquid He4 , 1962 .

[24]  A. Messiah Quantum Mechanics , 1961 .

[25]  Timothée Ewart,et al.  Matrix product state applications for the ALPS project , 2014, Comput. Phys. Commun..

[26]  A Montorsi,et al.  The Hubbard Model: A Collection of Reprints , 1992 .

[27]  D. Thouless The Quantum Mechanics of Many-Body Systems , 2013 .

[28]  S. Todo,et al.  The ALPS project release 2.0: open source software for strongly correlated systems , 2011, 1101.2646.

[29]  Nicolas Le Roux,et al.  Representational Power of Restricted Boltzmann Machines and Deep Belief Networks , 2008, Neural Computation.

[30]  G. G. Stokes "J." , 1890, The New Yale Book of Quotations.

[31]  D. Rocca,et al.  Weak binding between two aromatic rings: feeling the van der Waals attraction by quantum Monte Carlo methods. , 2007, The Journal of chemical physics.

[32]  White,et al.  Density matrix formulation for quantum renormalization groups. , 1992, Physical review letters.

[33]  Michele Fabrizio,et al.  Localization and Glassy Dynamics Of Many-Body Quantum Systems , 2011, Scientific Reports.

[34]  Honglak Lee,et al.  Learning Invariant Representations with Local Transformations , 2012, ICML.

[35]  Roman Orus,et al.  A Practical Introduction to Tensor Networks: Matrix Product States and Projected Entangled Pair States , 2013, 1306.2164.

[36]  Geoffrey E. Hinton,et al.  Reducing the Dimensionality of Data with Neural Networks , 2006, Science.

[37]  Demis Hassabis,et al.  Mastering the game of Go with deep neural networks and tree search , 2016, Nature.

[38]  Ophir Frieder,et al.  The Nonequilibrium Many-Body Problem as a paradigm for extreme data science , 2014, ArXiv.

[39]  S. White,et al.  Real-time evolution using the density matrix renormalization group. , 2004, Physical review letters.

[40]  Steven C. Pieper,et al.  Quantum Monte Carlo methods for nuclear physics , 2014 .

[41]  Douglas J. Scalapino Quantum Monte Carlo , 1987 .

[42]  Roger G. Melko,et al.  Learning Thermodynamics with Boltzmann Machines , 2016, ArXiv.

[43]  Alessandro Silva,et al.  Colloquium: Nonequilibrium dynamics of closed interacting quantum systems , 2010, 1007.5331.

[44]  Mohammad Norouzi,et al.  Stacks of convolutional Restricted Boltzmann Machines for shift-invariant feature learning , 2009, CVPR.

[45]  P. Dirac Note on Exchange Phenomena in the Thomas Atom , 1930, Mathematical Proceedings of the Cambridge Philosophical Society.

[46]  Kurt Hornik,et al.  Approximation capabilities of multilayer feedforward networks , 1991, Neural Networks.

[47]  Andrea J. Liu,et al.  A structural approach to relaxation in glassy liquids , 2015, Nature Physics.