118 citations · 280 across the 17 of their papers we have counts for
19 papers
Computing quantum entanglement with machine learning
Andrea Bulgarelli, Elia Cellini, Karl Jansen +5
Entanglement calculations in quantum field theories are extremely challenging and typically rely on the replica trick, where the problem is rephrased in a study of defects. We demo…
Simulating Correlated Electrons with Symmetry-Enforced Normalizing Flows
Dominic Schuh, Janik Kreit, Evan Berkowitz +4
We present the first proof of principle that normalizing flows can accurately learn the Boltzmann distribution of the fermionic Hubbard model - a key framework for describing the e…
SESaMo: Symmetry-Enforcing Stochastic Modulation for Normalizing Flows
Janik Kreit, Dominic Schuh, Kim A. Nicoli +1
Deep generative models have recently garnered significant attention across various fields, from physics to chemistry, where sampling from unnormalized Boltzmann-like distributions…
Multilevel Generative Samplers for Investigating Critical Phenomena
Ankur Singha, Elia Cellini, Kim A. Nicoli +3
Investigating critical phenomena or phase transitions is of high interest in physics and chemistry, for which Monte Carlo (MC) simulations, a crucial tool for numerically analyzing…
Adaptive Observation Cost Control for Variational Quantum Eigensolvers
Christopher J. Anders, Kim A. Nicoli, Bingting Wu +6
The objective to be minimized in the variational quantum eigensolver (VQE) has a restricted form, which allows a specialized sequential minimal optimization (SMO) that requires onl…
Machine-Learning-Enhanced Optimization of Noise-Resilient Variational Quantum Eigensolvers
Kim A. Nicoli, Luca J. Wagner, Lena Funcke
Variational Quantum Eigensolvers (VQEs) are a powerful class of hybrid quantum-classical algorithms designed to approximate the ground state of a quantum system described by its Ha…
Bayesian Parameter Shift Rule in Variational Quantum Eigensolvers
Samuele Pedrielli, Christopher J. Anders, Lena Funcke +3
Parameter shift rules (PSRs) are key techniques for efficient gradient estimation in variational quantum eigensolvers (VQEs). In this paper, we propose its Bayesian variant, where…
Simulating the Hubbard Model with Equivariant Normalizing Flows
Dominic Schuh, Janik Kreit, Evan Berkowitz +4
Generative models, particularly normalizing flows, have shown exceptional performance in learning probability distributions across various domains of physics, including statistical…
Flow-Based Sampling for Entanglement Entropy and the Machine Learning of Defects
Andrea Bulgarelli, Elia Cellini, Karl Jansen +5
We introduce a novel technique to numerically calculate Rényi entanglement entropies in lattice quantum field theory using generative models. We describe how flow-based approaches…
Physics-Informed Bayesian Optimization of Variational Quantum Circuits
Kim A. Nicoli, Christopher J. Anders, Lena Funcke +7
In this paper, we propose a novel and powerful method to harness Bayesian optimization for Variational Quantum Eigensolvers (VQEs) -- a hybrid quantum-classical protocol used to ap…
Detecting and Mitigating Mode-Collapse for Flow-based Sampling of Lattice Field Theories
Kim A. Nicoli, Christopher J. Anders, Tobias Hartung +3
We study the consequences of mode-collapse of normalizing flows in the context of lattice field theory. Normalizing flows allow for independent sampling. For this reason, it is hop…
Gradients should stay on Path: Better Estimators of the Reverse- and Forward KL Divergence for Normalizing Flows
Lorenz Vaitl, Kim A. Nicoli, Shinichi Nakajima +1
We propose an algorithm to estimate the path-gradient of both the reverse and forward Kullback-Leibler divergence for an arbitrary manifestly invertible normalizing flow. The resul…
Path-Gradient Estimators for Continuous Normalizing Flows
Lorenz Vaitl, Kim A. Nicoli, Shinichi Nakajima +1
Recent work has established a path-gradient estimator for simple variational Gaussian distributions and has argued that the path-gradient is particularly beneficial in the regime i…
Modern applications of machine learning in quantum sciences
Anna Dawid, Julian Arnold, Borja Requena +26
In this book, we provide a comprehensive introduction to the most recent advances in the application of machine learning methods in quantum sciences. We cover the use of deep learn…
Machine Learning of Thermodynamic Observables in the Presence of Mode Collapse
Kim A. Nicoli, Christopher Anders, Lena Funcke +5
Estimating the free energy, as well as other thermodynamic observables, is a key task in lattice field theories. Recently, it has been pointed out that deep generative models can b…
Estimation of Thermodynamic Observables in Lattice Field Theories with Deep Generative Models
Kim A. Nicoli, Christopher J. Anders, Lena Funcke +5
In this work, we demonstrate that applying deep generative machine learning models for lattice field theory is a promising route for solving problems where Markov Chain Monte Carlo…
Asymptotically unbiased estimation of physical observables with neural samplers
Kim A. Nicoli, Shinichi Nakajima, Nils Strodthoff +3
We propose a general framework for the estimation of observables with generative neural samplers focusing on modern deep generative neural networks that provide an exact sampling p…
Comment on "Solving Statistical Mechanics Using VANs": Introducing saVANt - VANs Enhanced by Importance and MCMC Sampling
Kim Nicoli, Pan Kessel, Nils Strodthoff +3
In this comment on "Solving Statistical Mechanics Using Variational Autoregressive Networks" by Wu et al., we propose a subtle yet powerful modification of their approach. We show…
Analysis of Atomistic Representations Using Weighted Skip-Connections
Kim A. Nicoli, Pan Kessel, Michael Gastegger +1
In this work, we extend the SchNet architecture by using weighted skip connections to assemble the final representation. This enables us to study the relative importance of each in…