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Neural network thermodynamics / by Dennis Wagner. Wuppertal, August 30, 2024
Inhalt
Abstract
Zusammenfassung
List of Symbols
Contents
List of Figures
Introduction
Physical Framework
Magnetism - The Exchange Interaction
Heisenberg Model
J1-J2 Model
Hubbard Model
Marshall-Peierls Sign Rule and Stoquastic Hamiltonians
Phase Transitions and Critical Exponents
Quantum Geometry
Projective Hilbert Space and Tangent Space
Variational Manifold
Variational Manifold of the Projective Hilbert Space
Variational Manifold of the Hilbert Space
Quantum Natural Gradient (QNG)
Quantum Velocity
Variational Monte Carlo Method
Ground State Optimization
Stochastic Gradient Descent (SGD)
Quantum Natural Gradient (QNG)
Time Evolution
Imaginary-Time Evolution
Real-Time Evolution
Adaptive Heun Method
Imaginary-Time Evolution on the Manifold and Modification
Regularization
Ground State Optimization
Time Evolution
Neural Network (NN)
Hilbert's 13-th Problem
Kolmogorov-Arnold Representation Theorem
Single-Layer Feed-Forward Neural Network (SLFFNN)
Multi-Layer Feed-Forward Neural Network (MLFFNN)
Feed-Forward Neural Network (FFNN) over the Complex Field
Neural Network Quantum State (NNQS)
Sigmoidal Ansatz (SA)
Boltzmann Machine (BM)
Effective Update Scheme
Details of the Learning Algorithm
Curse of Dimensionality
Entanglement Entropy and Expressive Power of RBMs
Variational Wave Functions for Strongly Correlated Systems
H2-Molecule
Heitler-London Ansatz
Hartree-Fock Ansatz
Many-Body Ansatz Wave Function
Hartree-Fock Ansatz
Gutzwiller and Jastrow Factor
Pair-Product (PP) Wave Function
Bardeen-Cooper-Schrieffer (BCS) Wave Function
Resonating Valence Bond (RVB) Wave Function
Pair-Product (PP) Wave Function
Efficient Computation of the Pfaffian and its Derivative
Transformation from Fermions to Spins
PP-NN Ansatz
Ground State Optimization with Feed-Forward Neural Networks (FFNNs)
Barren Plateaus
Improvement by the PP-NN Ansatz
Exact Representations with Deep Boltzmann Machines (DBMs)
Wave Function for Finite-Temperature Computations
Finite-Temperature Results for the One-Dimensional Heisenberg Model
Purification Method
Purification
Macroscopic Thermodynamic Variables
Numerical Results
Sampling Method
Minimally Entangled Thermal States (METS)
Numerical Results
Thermal Pure Quantum State (TPQS)
Measure Concentration on Normed Spaces
Infinite-Temperature Thermal Pure Quantum State (TPQS)
Extension to Finite Temperatures
Canonical Thermal Pure Quantum State (CTPQS)
Variational Canonical Thermal Pure Quantum State (VCTPQS)
PP-NN Ansatz
The Infinite-Temperature VCTPQS
Numerical Results
Dynamical Correlation Functions for the One-Dimensional Heisenberg Model at Infinite Temperature
Spin-Spin Autocorrelation Function and Entanglement Entropy
Numerical Results
Finite-Temperature Results for the Two-Dimensional J1-J2 Model on the Square Lattice
Ground State Phase Diagram
Modifications of the Purification and the Sampling Algorithm
Finite-Temperature Results
Finite-Temperature Results for the Two-Dimensional Heisenberg Model
Finite-Temperature Results for the Two-Dimensional J1-J2 Model
Phase Transition at Finite Temperatures
Critical Slowing Down
Conclusion
Outlook
Bibliography
Appendix Schrödinger Equation on the Variational Manifold of the Projective Hilbert Space
Appendix Schrödinger Equation on the Variational Manifold of the Hilbert Space