We introduce NetKet, a comprehensive open source framework for the study of many-body quantum systems using machine learning techniques. The framework is built around a general and flexible implementation of neural-network quantum states, which are used as a variational ansatz for quantum wavefunctions. NetKet provides algorithms for several key tasks in quantum many-body physics and quantum technology, namely quantum state tomography, supervised learning from wavefunction data, and ground state searches for a wide range of customizable lattice models. Our aim is to provide a common platform for open research and to stimulate the collaborative development of computational methods at the interface of machine learning and many-body physics. I. MOTIVATION AND SIGNIFICANCERecent years have seen a tremendous activity around the development of physics-oriented numerical techniques based on machine learning (ML) tools [1]. In the context of many-body quantum physics, one of the main goals of these approaches is to tackle complex quantum problems using compact representations of many-body states based on artificial neural networks. These representations, dubbed neural-network quantum states (NQS) [2], can be used for several applications. In the supervised learning setting, they can be used, e.g., to learn existing quantum states for which a non-NQS representation is available [3]. In the unsupervised setting, they can be used to reconstruct complex quantum states from experimental measurements, a task known as quantum state tomography [4]. Finally, in the context of purely variational applications, NQS can be used to find approximate ground-and excited-state solutions of the Schrödinger equation [2, 5-9], as well as to describe unitary [2, 10, 11] and dissipative [12-15] many-body dynamics. Despite the increasing methodological and theoretical interest in NQS and their applications, a set of comprehensive, easyto-use tools for research applications is still lacking. This is particularly pressing as the complexity of NQS-related approaches and algorithms is expected to grow rapidly given these first successes, steepening the learning curve.The goal of NetKet is to provide a set of primitives and flexible tools to ease the development of cuttingedge ML applications for quantum many-body physics. NetKet also wants to help bridge the gap between the latest and technically demanding developments in the field and those scholars and students who approach the subject for the first time. Pedagogical tutorials are provided to this aim. Serving as a common platform for future research, the NetKet project is meant to stimulate the open and easy-to-certify development of new methods and to provide a common set of tools to reproduce published results.A central philosophy of the NetKet framework is to provide tools that are as simple as possible to use for the end user. Given the huge popularity of the Python programming language and of the many accompanying tools gravitating around the Python ecosystem, we have built NetKet as a full...

We introduce version 3 of NetKet, the machine learning toolbox for many-body quantum physics. NetKet is built around neural quantum states and provides efficient algorithms for their evaluation and optimization. This new version is built on top of JAX, a differentiable programming and accelerated linear algebra framework for the Python programming language. The most significant new feature is the possibility to define arbitrary neural network ansätze in pure Python code using the concise notation of machine-learning frameworks, which allows for just-in-time compilation as well as the implicit generation of gradients thanks to automatic differentiation. NetKet 3 also comes with support for GPU and TPU accelerators, advanced support for discrete symmetry groups, chunking to scale up to thousands of degrees of freedom, drivers for quantum dynamics applications, and improved modularity, allowing users to use only parts of the toolbox as a foundation for their own code.

Neural-network quantum states (NQS) have been shown to be a suitable variational ansatz to simulate out-of-equilibrium dynamics in two-dimensional systems using time-dependent variational Monte Carlo (t-VMC). In particular, stable and accurate time propagation over long time scales has been observed in the square-lattice Heisenberg model using the Restricted Boltzmann machine architecture. However, achieving similar performance in other systems has proven to be more challenging. In this article, we focus on the two-leg Heisenberg ladder driven out of equilibrium by a pulsed excitation as a benchmark system. We demonstrate that unmitigated noise is strongly amplified by the nonlinear equations of motion for the network parameters, which causes numerical instabilities in the time evolution. As a consequence, the achievable accuracy of the simulated dynamics is a result of the interplay between network expressiveness and measures required to remedy these instabilities. We show that stability can be greatly improved by appropriate choice of regularization. This is particularly useful as tuning of the regularization typically imposes no additional computational cost. Inspired by machine learning practice, we propose a validation-set based diagnostic tool to help determining optimal regularization hyperparameters for t-VMC based propagation schemes. For our benchmark, we show that stable and accurate time propagation can be achieved in regimes of sufficiently regularized variational dynamics.

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We investigate the dynamics of chiral edge states in topological polariton systems under laser driving. Using a model system comprised of topolgically trivial excitons and photons with a chiral coupling proposed by Karzig et al. [Phys. Rev. X 5, 031001 (2015)], we investigate the real-time dynamics of a lattice version of this model driven by a laser pulse. By analyzing the time-and momentum-resolved spectral function, measured by timeand angle-resolved photoluminescence in analogy with time-and angle-resolved photoemission spectroscopy in electronic systems, we find that polaritonic states in a ribbon geometry are selectively excited via their resonance with the pump laser photon frequency. This selective excitation mechanism is independent of the necessity of strong laser pumping and polariton condensation. Our work highlights the potential of time-resolved spectroscopy as a complementary tool to real-space imaging for the investigation of topological edge state engineering in devices.