Numerically simulating quantum many-body systems is one of the central challenges in modern physics, as the exponential growth of the Hilbert space with system size renders large-scale exact solutions intractable. Over the past decade, generative artificial neural networks have emerged as powerful wave function ansätze that have powered advances in finding ground state representations, reconstructing quantum states from data, and modeling dynamics in quantum many-body systems. While recurrent neural networks (RNNs) are computationally efficient, the recurrent nature can limit their capacity to capture long-range correlations. Transformer models with their underlying self-attention mechanism excel at capturing these long-range correlations, but incur increased computational requirements, restricting applications to small physical systems. In this work, we address these limitations by exploring the multi-layer perceptron (MLP) mixer model as a wave function ansatz. By mixing information globally and locally through the system via a computationally lightweight mixing strategy, this architecture promises to combine the ability to capture long-range correlations with low computational costs. We benchmark the model on finding ground state representations of two-dimensional quantum many-body systems in various phases of matter and investigate the behavior of representational accuracy and computational efficiency for different physical system sizes. By comparing its performance to RNNs and transformer models with single-site and patched input definitions, we demonstrate that the MLP mixer architecture performs competitively with state-of-the-art network models. We further show that a hierarchical combination of this model with the transformer model outperforms other state-of-the-art architectures for large-scale quantum systems, opening new avenues for investigating quantum phases of matter.
Numerically simulating quantum many-body systems is one of the central challenges in modern physics, as the exponential growth of the Hilbert space with system size renders large-scale exact solutions intractable. Over the past decade, generative artificial neural networks have emerged as powerful wave function ansätze that have powered advances in finding ground state representations, reconstructing quantum states from data, and modeling dynamics in quantum many-body systems. While recurrent neural networks (RNNs) are computationally efficient, the recurrent nature can limit their capacity to capture long-range correlations. Transformer models with their underlying self-attention mechanism excel at capturing these long-range correlations, but incur increased computational requirements, restricting applications to small physical systems. In this work, we address these limitations by exploring the multi-layer perceptron (MLP) mixer model as a wave function ansatz. By mixing information globally and locally through the system via a computationally lightweight mixing strategy, this architecture promises to combine the ability to capture long-range correlations with low computational costs. We benchmark the model on finding ground state representations of two-dimensional quantum many-body systems in various phases of matter and investigate the behavior of representational accuracy and computational efficiency for different physical system sizes. By comparing its performance to RNNs and transformer models with single-site and patched input definitions, we demonstrate that the MLP mixer architecture performs competitively with state-of-the-art network models. We further show that a hierarchical combination of this model with the transformer model outperforms other state-of-the-art architectures for large-scale quantum systems, opening new avenues for investigating quantum phases of matter.
Non-Hermitian (NH) quantum systems have emerged as a powerful framework for describing open quantum systems, nonequilibrium dynamics, and engineered quantum optical materials. However, solving the ground-state properties of NH systems is challenging due to the exponential scaling of the Hilbert space and exotic phenomena such as the emergence of exceptional points. Another challenge arises from the limitations of traditional methods like exact diagonalization (ED). For the past decade, neural networks (NNs) have shown promise in approximating many-body wavefunctions, yet their application to NH systems remains largely unexplored. In this paper, we explore different NN architectures to investigate the ground-state properties of a parity-time-symmetric, one-dimensional NH, transverse field Ising model with a complex spectrum by employing a recurrent neural network (RNN), a restricted Boltzmann machine (RBM), and a multilayer perceptron (MLP). We construct the NN-based many-body wavefunctions and validate our approach by recovering the ground-state properties of the model for small system sizes, finding excellent agreement with ED. Furthermore, for larger system sizes, we demonstrate that the RNN outperforms both the RBM and MLP. However, we show that the accuracy of the RBM and MLP can be significantly improved through transfer learning, allowing them to perform comparably to the RNN for larger system sizes. These results highlight the potential of neural-network-based approaches—particularly for accurately capturing the low-energy physics of NH quantum systems in case of both weak and strong non-Hermiticity.
Due to their immense representative power, neural network quantum states (NQS) have gained significant interest in current research. In recent advances in the field of NQS, it has been demonstrated that this approach can compete with state-of-the-art numerical techniques, making NQS a compelling alternative, in particular for the simulation of large, two-dimensional quantum systems. In this study, we show that recurrent neural network (RNN) wave functions can be employed to study systems relevant to current research in quantum many-body physics. Specifically, we employ a 2D tensorized gated RNN to explore the bosonic Hofstadter model with a variable local Hilbert space cut-off and long-range interactions. At first, we benchmark the RNN-NQS for the Hofstadter-Bose-Hubbard (HBH) Hamiltonian on a square lattice. We find that this method is, despite the complexity of the wave function, capable of efficiently identifying and representing most ground state properties. Afterwards, we apply the method to an even more challenging model for current methods, namely the Hofstadter model with long-range interactions. This model describes Rydberg-dressed atoms on a lattice subject to a synthetic magnetic field. We study systems of size up to 12×12 sites and identify three different regimes by tuning the interaction range and the filling fraction ν. In addition to phases known from the HBH model at short-ranged interaction, we observe bubble crystals and Wigner crystals for long-ranged interactions. Especially interesting is the evidence of a bubble crystal phase on a lattice, as this gives experiments a starting point for the search of clustered liquid phases, possibly hosting non-Abelian anyon excitations. In our work we show that NQS are an efficient and reliable simulation method for quantum systems, which are the subject of current research.
Due to their immense representative power, neural network quantum states (NQS) have gained significant interest in current research. In recent advances in the field of NQS, it has been demonstrated that this approach can compete with state-of-the-art numerical techniques, making NQS a compelling alternative, in particular for the simulation of large, two-dimensional (2D) quantum systems. In this study, we show that recurrent neural network (RNN) wave functions can be employed to study systems relevant to current research in quantum many-body physics. Specifically, we employ a 2D tensorized gated RNN to explore the bosonic Hofstadter model with a variable local Hilbert space cutoff and long-range interactions. At first, we benchmark the RNN-NQS for the Hofstadter-Bose-Hubbard (HBH) Hamiltonian on a square lattice. We find that this method, despite the complexity of the wave function, is capable of efficiently identifying and representing most ground-state properties. Afterwards, we apply the method to an even more challenging model for current methods, namely, the Hofstadter model with long-range interactions. This model describes Rydberg-dressed atoms on a lattice subject to a synthetic magnetic field. We study systems of size up to $12\ifmmode\times\else\texttimes\fi{}12$ sites and identify three different regimes by tuning the interaction range and the filling fraction $\ensuremath{\nu}$. In addition to phases known from the HBH model at short-range interaction, we observe bubble crystals and Wigner crystals for long-range interactions. Especially interesting is the evidence of a bubble crystal phase on a lattice, as this gives experiments a starting point for the search of clustered liquid phases, possibly hosting non-Abelian anyon excitations. In our work, we show that NQS are an efficient and reliable simulation method for quantum systems, which are the subject of current research. In particular, we demonstrate the ability of this method to simulate challenging systems with long-range interactions.
Neural-network quantum states have emerged as a powerful variational framework for quantum many-body systems, with recent progress often driven by massively parallel architectures such as transformers. Recurrent neural network quantum states, however, are frequently regarded as intrinsically sequential and therefore less scalable. Here we revisit this view by showing that modern recurrent architectures can support fast, accurate, and computationally accessible neural quantum state simulations. Using autoregressive recurrent wave functions together with recent advances in parallelizable recurrence, we develop variational ansätze, called parallel scan recurrent neural quantum states (PSR-NQS), which can be trained efficiently within variational Monte Carlo in one and two spatial dimensions. We demonstrate accurate benchmark results and show that, with iterative retraining, our approach reaches two-dimensional spin lattices as large as 52×52 while remaining in agreement with available quantum Monte Carlo data. Our results establish recurrent architectures as a practical and promising route toward scalable neural quantum state simulations with modest computational resources.
Neural network quantum states represent a powerful approach for solving electronic structures in strongly correlated molecular and material systems. For a neural network ansatz to be accurate, it must effectively learn the phase of a complex wave function. In this work, we demonstrate several different network structures as the phase network for a Transformer-based neural network quantum state implementation. We compare the accuracy of ground state energies, the number of parameters, and computational time across several small molecules. Furthermore, we propose a phase network setup that combines cross attention and multilayer perceptron structures, with the number of parameters remaining constant across different systems. Such an architecture may help reduce computational costs and enable transfer learning to larger quantum chemical systems.
The simulation of quantum matter with classical hardware plays a central role in the discovery and development of quantum many-body systems, with far-reaching implications in condensed matter physics and quantum technologies. In general, efficient and sophisticated algorithms are required to overcome the severe challenge posed by the exponential scaling of the Hilbert space of quantum systems. In contrast, hardware built with quantum bits of information are inherently capable of efficiently finding solutions of quantum many-body problems. While a universal and scalable quantum computer is still beyond the horizon, recent advances in qubit manufacturing and coherent control of synthetic quantum matter are leading to a new generation of intermediate scale quantum hardware. \n \nThe complexity underlying quantum many-body systems closely resembles the one encountered in many problems in the world of information and technology. In both contexts, the complexity stems from a large number of interacting degrees of freedom. A powerful strategy in the latter scenario is machine learning, a subfield of artificial intelligence where large amounts of data are used to extract relevant features and patterns. In particular, artificial neural networks have been demonstrated to be capable of discovering low-dimensional representations of complex objects from high-dimensional dataset, leading to the profound technological revolution we all witness in our daily life. \n \nIn this Thesis, we envision a new paradigm for scientific discovery in quantum physics. On the one hand, we have the essentially unlimited data generated with the increasing amount of highly controllable quantum hardware. On the other hand, we have a set of powerful algorithms that efficiently capture non-trivial correlations from high-dimensional data. Therefore, we fully embrace this data-driven approach to quantum mechanics, and anticipate new exciting possibilities in the field of quantum many-body physics and quantum information science. We revive a powerful stochastic neural network called a restricted Boltzmann machine, which slowly moved out of fashion after playing a central role in the machine learning revolution of the early 2010s. We introduce a neural-network representation of quantum states based on this generative model. We propose a set of algorithms to reconstruct unknown quantum states from measurement data and numerically demonstrate their potential, with important implications for current experiments. These include the reconstruction of experimentally inaccessible properties, such as entanglement, and diagnostics to determine sources of noise. Furthermore, we introduce a machine learning framework for quantum error correction, where a neural network learns the best decoding strategy directly from data. We expect that the full integration between quantum hardware and artificial intelligence will become the gold standard, and will drive the world into the era of fault-tolerant quantum computing and large-scale quantum simulations.