Publications

Order by: publication date number of citations

• Residual matrix product state for machine learning

  Ye-Ming Meng, Jing Zhang, Peng Zhang, Chao Gao, Shi-Ju Ran

  SciPost Phys. 14, 142 (2023) · published 2 June 2023 | Toggle abstract · pdf

  Tensor network, which originates from quantum physics, is emerging as an efficient tool for classical and quantum machine learning. Nevertheless, there still exists a considerable accuracy gap between tensor network and the sophisticated neural network models for classical machine learning. In this work, we combine the ideas of matrix product state (MPS), the simplest tensor network structure, and residual neural network and propose the residual matrix product state (ResMPS). The ResMPS can be treated as a network where its layers map the "hidden" features to the outputs (e.g., classifications), and the variational parameters of the layers are the functions of the features of the samples (e.g., pixels of images). This is different from neural network, where the layers map feed-forwardly the features to the output. The ResMPS can equip with the non-linear activations and dropout layers, and outperforms the state-of-the-art tensor network models in terms of efficiency, stability, and expression power. Besides, ResMPS is interpretable from the perspective of polynomial expansion, where the factorization and exponential machines naturally emerge. Our work contributes to connecting and hybridizing neural and tensor networks, which is crucial to further enhance our understanding of the working mechanisms and improve the performance of both models.

  1 citation

• Low-energy excitations and transport functions of the one-dimensional Kondo insulator

  Robert Peters, Roman Rausch

  SciPost Phys. 14, 166 (2023) · published 21 June 2023 | Toggle abstract · pdf

  Using variational matrix product states, we analyze the finite temperature behavior of a half-filled periodic Anderson model in one dimension, a prototypical model of a Kondo insulator. We present an extensive analysis of single-particle Green's functions, two-particle Green's functions, and transport functions creating a broad picture of the low-temperature properties. We confirm the existence of energetically low-lying spin excitations in this model and study their energy-momentum dispersion and temperature dependence. We demonstrate that charge-charge correlations at the Fermi energy exhibit a different temperature dependence than spin-spin correlations. While energetically low-lying spin excitations emerge approximately at the Kondo temperature, which exponentially depends on the interaction strength, charge correlations vanish already at high temperatures. Furthermore, we analyze the charge and thermal conductivity at finite temperatures by calculating the time-dependent current-current correlation functions. While both charge and thermal conductivity can be fitted for all interaction strengths by gapped systems with a renormalized band gap, the gap in the system describing the thermal conductivity is generally smaller than the system describing the charge conductivity. Thus, two-particle correlations affect the charge and heat conductivities in a different way resulting in a temperature region where the charge conductivity of this one-dimensional Kondo insulator is already decreasing while the heat conductivity is still increasing.

  1 citation

• Autoregressive neural Slater-Jastrow ansatz for variational Monte Carlo simulation

  Stephan Humeniuk, Yuan Wan, Lei Wang

  SciPost Phys. 14, 171 (2023) · published 27 June 2023 | Toggle abstract · pdf

  Direct sampling from a Slater determinant is combined with an autoregressive deep neural network as a Jastrow factor into a fully autoregressive Slater-Jastrow ansatz for variational quantum Monte Carlo, which allows for uncorrelated sampling. The elimination of the autocorrelation time leads to a stochastic algorithm with provable cubic scaling (with a potentially large prefactor), i.e. the number of operations for producing an uncorrelated sample and for calculating the local energy scales like $\mathcal{O}(N_s^3)$ with the number of orbitals $N_s$. The implementation is benchmarked on the two-dimensional $t-V$ model of spinless fermions on the square lattice.

  1 citation

• Analysis of radiation damage in silicon charge-coupled devices used for dark matter searches

  Steven J. Lee

  SciPost Phys. Proc. 12, 030 (2023) · published 4 July 2023 | Toggle abstract · pdf

  Nuclear recoils in crystal detectors generate radiation damage in the form of crystal defects that can be measured in scientific-grade CCDs as local hot spots of leakage current stimulated by temperature increases in the devices. In this proceeding, we use a neutron source to generate defects in DAMIC-M CCDs, and using increases in leakage current at different temperatures, we demonstrate a procedure for identifying crystal defects in the CCDs of the DAMIC-M experiment. This is the first time that individual defects generated from nuclear recoils have been studied. This technique could be used to distinguish nuclear recoils from electron recoils in some energy ranges, which would improve the ability of CCD detectors to search for weakly interacting dark matter.

  1 citation

• Codebase release 0.5 for HarmonicBalance.jl

  Jan Košata, Javier del Pino, Toni L. Heugel, Oded Zilberberg

  SciPost Phys. Codebases 6-r0.5 (2022) · published 24 August 2022 | Toggle abstract · src

  HarmonicBalance.jl is a publicly available Julia package designed to simplify and solve systems of periodic time-dependent nonlinear ordinary differential equations. Time dependence of the system parameters is treated with the harmonic balance method, which approximates the system's behaviour as a set of harmonic terms with slowly-varying amplitudes. Under this approximation, the set of all possible steady-state responses follows from the solution of a polynomial system. In HarmonicBalance.jl, we combine harmonic balance with contemporary implementations of symbolic algebra and the homotopy continuation method to numerically determine all steady-state solutions and their associated fluctuation dynamics. For the exploration of involved steady-state topologies, we provide a simple graphical user interface, allowing for arbitrary solution observables and phase diagrams. HarmonicBalance.jl is a free software available at https://github.com/NonlinearOscillations/HarmonicBalance.jl.

  1 citation

• Accelerating equilibrium spin-glass simulations using quantum annealers via generative deep learning

  Giuseppe Scriva, Emanuele Costa, Benjamin McNaughton, Sebastiano Pilati

  SciPost Phys. 15, 018 (2023) · published 20 July 2023 | Toggle abstract · pdf

  Adiabatic quantum computers, such as the quantum annealers commercialized by D-Wave Systems Inc., are routinely used to tackle combinatorial optimization problems. In this article, we show how to exploit them to accelerate equilibrium Markov chain Monte Carlo simulations of computationally challenging spin-glass models at low but finite temperatures. This is achieved by training generative neural networks on data produced by a D-Wave quantum annealer, and then using them to generate smart proposals for the Metropolis-Hastings algorithm. In particular, we explore hybrid schemes by combining single spin-flip and neural proposals, as well as D-Wave and classical Monte Carlo training data. The hybrid algorithm outperforms the single spin-flip Metropolis-Hastings algorithm. It is competitive with parallel tempering in terms of correlation times, with the significant benefit of a much shorter equilibration time.

  1 citation

• Optimizing Floquet engineering for non-equilibrium steady states with gradient-based methods

  Alberto Castro, Shunsuke A. Sato

  SciPost Phys. 15, 029 (2023) · published 26 July 2023 | Toggle abstract · pdf

  Non-equilibrium steady states are created when a periodically driven quantum system is also incoherently interacting with an environment - as it is the case in most realistic situations. The notion of Floquet engineering refers to the manipulation of the properties of systems under periodic perturbations. Although it more frequently refers to the coherent states of isolated systems (or to the transient phase for states that are weakly coupled to the environment), it may sometimes be of more interest to consider the final steady states that are reached after decoherence and dissipation take place. In this work, we demonstrate how those final states can be optimally tuned with respect to a given predefined metric, such as for example the maximization of the temporal average value of some observable, by using multicolor periodic perturbations. We show a computational framework that can be used for that purpose, and exemplify the concept using a simple model for the nitrogen-vacancy center in diamond: the goal in this case is to find the driving periodic magnetic field that maximizes a time-averaged spin component. We show that, for example, this technique permits to prepare states whose spin values are forbidden in thermal equilibrium at any temperature.

  1 citation

• Pressure-induced transitions in FePS$_3$: Structural, magnetic and electronic properties

  Shiyu Deng, Siyu Chen, Bartomeu Monserrat, Emilio Artacho, Siddharth S. Saxena

  SciPost Phys. 15, 020 (2023) · published 20 July 2023 | Toggle abstract · pdf

  FePS$_3$ is a prototype van der Waals layered antiferromagnet and a Mott insulator under ambient conditions, which has been recently reported to go through a pressure-induced dimensionality crossover and an insulator-to-metal transition. These transitions also lead to the appearance of a novel magnetic metallic state. To further understand these emergent structural and physical properties, we have performed a first-principles study using van der Waals and Hubbard $U$ corrected density functional theory including a random structure search. Our computational study attempts to interpret the experimental coexistence of the low- and intermediate-pressure phases and we predict a novel high-pressure phase with distinctive dimensionality and different possible origins of metallicity.

  1 citation

• Codebase release 1.1 for LinReTraCe

  Matthias Pickem, Emanuele Maggio, Jan M. Tomczak

  SciPost Phys. Codebases 16-r1.1 (2023) · published 17 July 2023 | Toggle abstract · src

  We describe the "Linear Response Transport Centre" (LinReTraCe), a package for the simulation of transport properties of solids. LinReTraCe captures quantum (in)coherence effects beyond semi-classical Boltzmann techniques, while incurring similar numerical costs. The enabling algorithmic innovation is a semi-analytical evaluation of Kubo formulae for resistivities and the coefficients of Hall, Seebeck and Nernst. We detail the program's architecture, its interface and usage with electronic-structure packages such as WIEN2k, VASP, and Wannier90, as well as versatile tight-binding settings.

  1 citation

• The classical Heisenberg model on the centred pyrochlore lattice

  Rajah P. Nutakki, Ludovic D. C. Jaubert, Lode Pollet

  SciPost Phys. 15, 040 (2023) · published 1 August 2023 | Toggle abstract · pdf

  The centred pyrochlore lattice is a novel geometrically frustrated lattice, realized in the metal-organic framework Mn(ta)$_2$ [Phys. Rev. Research 5, L022018 (2023)] where the basic unit of spins is a five site centred tetrahedron. Here, we present an in-depth theoretical study of the $J_1-J_2$ classical Heisenberg model on this lattice, using a combination of mean-field analytical methods and Monte Carlo simulations. We find a rich phase diagram with low temperature states exhibiting ferrimagnetic order, partial ordering, and a highly degenerate spin liquid with distinct regimes of low temperature correlations. We discuss in detail how the regime displaying broadened pinch points in its spin structure factor is consistent with an effective description in terms of a fluid of interacting charges. We also show how this picture holds in two dimensions on the analogous centred kagome lattice and elucidate the connection to the physics of thin films in ($d+1$) dimensions. Furthermore, we show that a Coulomb phase can be stabilized on the centred pyrochlore lattice by the addition of further neighbour couplings. This demonstrates the centred pyrochlore lattice is an experimentally relevant geometry which naturally hosts emergent gauge fields in the presence of charges at low energies.

  1 citation