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We present a scheme based on artificial neural networks (ANN) to estimate the line-of-sight velocities of individual galaxies from an observed redshift-space galaxy distribution. We find an estimate of the peculiar velocity at a galaxy based on galaxy counts and barycenters in shells around it. By training the network with environmental characteristics, such as the total mass and mass center within each shell surrounding every galaxy in redshift space, our ANN model can accurately predict the line-of-sight velocity of each individual galaxy. When this velocity is used to eliminate the RSD effect, the two-point correlation function (TPCF) in real space can be recovered with an accuracy better than 1% at $s$ > 8 $h^{-1}\mathrm{Mpc}$, and 4% on all scales compared to ground truth. The real-space power spectrum can be recovered within 3% on $k$< 0.5 $\mathrm{Mpc}^{-1}h$, and less than 5% for all $k$ modes. The quadrupole moment of the TPCF or power spectrum is almost zero down to $s$ = 10 $h^{-1}\mathrm{Mpc}$ or all $k$ modes, indicating an effective correction of the spatial anisotropy caused by the RSD effect. We demonstrate that on large scales, without additional training with new data, our network is adaptable to different galaxy formation models, different cosmological models, and mock galaxy samples at high redshifts and high biases, achieving less than 10% error for scales greater than 15 $h^{-1}\mathrm{Mpc}$. As it is sensitive to large-scale densities, it does not manage to remove Fingers of God in large clusters, but works remarkably well at recovering real-space galaxy positions elsewhere. Our scheme provides a novel way to predict the peculiar velocity of individual galaxies, to eliminate the RSD effect directly in future large galaxy surveys, and to reconstruct the 3-D cosmic velocity field accurately., Comment: 15 pages,15 figures, accepted for publication in MNRAS

The variational quantum eigensolver (or VQE) uses the variational principle to compute the ground state energy of a Hamiltonian, a problem that is central to quantum chemistry and condensed matter physics. Conventional computing methods are constrained in their accuracy due to the computational limits. The VQE may be used to model complex wavefunctions in polynomial time, making it one of the most promising near-term applications for quantum computing. Finding a path to navigate the relevant literature has rapidly become an overwhelming task, with many methods promising to improve different parts of the algorithm. Despite strong theoretical underpinnings suggesting excellent scaling of individual VQE components, studies have pointed out that their various pre-factors could be too large to reach a quantum computing advantage over conventional methods. This review aims to provide an overview of the progress that has been made on the different parts of the algorithm. All the different components of the algorithm are reviewed in detail including representation of Hamiltonians and wavefunctions on a quantum computer, the optimization process, the post-processing mitigation of errors, and best practices are suggested. We identify four main areas of future research:(1) optimal measurement schemes for reduction of circuit repetitions; (2) large scale parallelization across many quantum computers;(3) ways to overcome the potential appearance of vanishing gradients in the optimization process, and how the number of iterations required for the optimization scales with system size; (4) the extent to which VQE suffers for quantum noise, and whether this noise can be mitigated. The answers to these open research questions will determine the routes for the VQE to achieve quantum advantage as the quantum computing hardware scales up and as the noise levels are reduced., Comment: 156 pages, 19 figures

User behavior has been validated to be effective in revealing personalized preferences for commercial recommendations. However, few user-item interactions can be collected for new users, which results in a null space for their interests, i.e., the cold-start dilemma. In this paper, a two-tower framework, namely, the model-agnostic interest learning (MAIL) framework, is proposed to address the cold-start recommendation (CSR) problem for recommender systems. In MAIL, one unique tower is constructed to tackle the CSR from a zero-shot view, and the other tower focuses on the general ranking task. Specifically, the zero-shot tower first performs cross-modal reconstruction with dual auto-encoders to obtain virtual behavior data from highly aligned hidden features for new users; and the ranking tower can then output recommendations for users based on the completed data by the zero-shot tower. Practically, the ranking tower in MAIL is model-agnostic and can be implemented with any embedding-based deep models. Based on the co-training of the two towers, the MAIL presents an end-to-end method for recommender systems that shows an incremental performance improvement. The proposed method has been successfully deployed on the live recommendation system of NetEase Cloud Music to achieve a click-through rate improvement of 13% to 15% for millions of users. Offline experiments on real-world datasets also show its superior performance in CSR. Our code is available.

Recent practical approaches for the use of current generation noisy quantum devices in the simulation of quantum many-body problems have been dominated by the use of a variational quantum eigensolver (VQE). These coupled quantum-classical algorithms leverage the ability to perform many repeated measurements to avoid the currently prohibitive gate depths often required for exact quantum algorithms, with the restriction of a parameterized circuit to describe the states of interest. In this work, we show how the calculation of zero-temperature dynamic correlation functions defining the linear response characteristics of quantum systems can also be recast into a modified VQE algorithm, which can be incorporated into the current variational quantum infrastructure. This allows for these important physical expectation values describing the dynamics of the system to be directly converged on the frequency axis, and they approach exactness over all frequencies as the flexibility of the parameterization increases. The frequency resolution hence does not explicitly scale with gate depth, which is approximately twice as deep as a ground state VQE. We apply the method to compute the single-particle Green's function of ab initio dihydrogen and lithium hydride molecules, and demonstrate the use of a practical active space embedding approach to extend to larger systems. While currently limited by the fidelity of two-qubit gates, whose number is increased compared to the ground state algorithm on current devices, we believe the approach shows potential for the extraction of frequency dynamics of correlated systems on near-term quantum processors., Comment: 13 pages, 4 figures. Added new citations

The nodal line semimetals have attracted much attention due to their unique topological electronic structure and exotic physical properties. A genuine nodal line semimetal is qualified by the presence of Dirac nodes along a line in the momentum space that are protected against the spin-orbit coupling. In addition, it requires that the Dirac points lie close to the Fermi level allowing to dictate the macroscopic physical properties. Although the material realization of nodal line semimetals have been theoretically predicted in numerous compounds, only a few of them have been experimentally verified and the realization of a genuine nodal line semimetal is particularly rare. Here we report the realization of a genuine nodal line semimetal in LaSbTe. We investigated the electronic structure of LaSbTe by band structure calculations and angle-resolved photoemission (ARPES) measurements. Taking spin-orbit coupling into account, our band structure calculations predict that a nodal line is formed in the boundary surface of the Brillouin zone which is robust and lies close to the Fermi level. The Dirac nodes along the X-R line in momentum space are directly observed in our ARPES measurements and the energies of these Dirac nodes are all close to the Fermi level. These results constitute clear evidence that LaSbTe is a genuine nodal line semimetal,providing a new platform to explore for novel phenomena and possible applications associated with the nodal line semimetals., Comment: 24 pages, 4 figures, accepted for publication in PRB

We introduce TensorFlow Quantum (TFQ), an open source library for the rapid prototyping of hybrid quantum-classical models for classical or quantum data. This framework offers high-level abstractions for the design and training of both discriminative and generative quantum models under TensorFlow and supports high-performance quantum circuit simulators. We provide an overview of the software architecture and building blocks through several examples and review the theory of hybrid quantum-classical neural networks. We illustrate TFQ functionalities via several basic applications including supervised learning for quantum classification, quantum control, simulating noisy quantum circuits, and quantum approximate optimization. Moreover, we demonstrate how one can apply TFQ to tackle advanced quantum learning tasks including meta-learning, layerwise learning, Hamiltonian learning, sampling thermal states, variational quantum eigensolvers, classification of quantum phase transitions, generative adversarial networks, and reinforcement learning. We hope this framework provides the necessary tools for the quantum computing and machine learning research communities to explore models of both natural and artificial quantum systems, and ultimately discover new quantum algorithms which could potentially yield a quantum advantage., Comment: 56 pages, 34 figures, many updates throughout the manuscript, several new sections are added

The crystal structure, magnetic, electronic, and thermal properties of Mn-doped SrFe2As2 crystals have been systematically investigated. A miscibility gap is found in the system from x = 0.4362(4) to x = 0.9612(9). For x < 0.2055(2), the single crystals holding tetragonal structure (space group I4/mmm (no. 139)) have a continuously enlarged lattice parameter c, followed by a phase separation with crystals holding both tetragonal and trigonal structures up to x = 0.4362(4). Beyond the miscibility gap, the crystals with x > 0.9612(9) hold the trigonal structure (space group P-3m1 (no. 164)). Moreover, the spin density wave ordering for x = 0 to x = 0.0973(1) is suppressed, followed by an abnormal and broadened increase of the ordering temperature for x = 0.0973(1) to x = 0.2055(2). Eliminating the possibility of real-space phase separation of Mn and Fe based on the results of X-ray diffraction, this novel phenomenon can be attributed to a possible intrinsic Griffiths phase. No any superconducting signals are observed down to 2 K in the whole composition range with 0 < x < 1. A phase diagram with multi-critical points of Mn-doped SrFe2As2 system is established accordingly., Comment: 25 pages, 9 figures, 2 tables

Solving for molecular excited states remains one of the key challenges of modern quantum chemistry. Traditional methods are constrained by existing computational capabilities, limiting the complexity of the molecules that can be studied or the accuracy of the results that can be obtained. Several quantum computing methods have been suggested to address this limitation. However, these typically have hardware requirements which may not be achieved in the near term. We propose a variational quantum machine learning based method to determine molecular excited states aiming at being as resilient as possible to the defects of early Noisy Intermediate Scale Quantum (NISQ) computers and demonstrate an implementation for H2 on IBMQ. Our method uses a combination of two parametrized quantum circuits, working in tandem, combined with a Variational Quantum Eigensolver (VQE) to iteratively find the eigenstates of a molecular Hamiltonian.

Quantum error correcting codes protect quantum computation from errors caused by decoherence and other noise. Here we study the problem of designing logical operations for quantum error correcting codes. We present an automated procedure which generates logical operations given known encoding and correcting procedures. Our technique is to use variational circuits for learning both the logical gates and the physical operations implementing them. This procedure can be implemented on near-term quantum computers via quantum process tomography. It enables automatic discovery of logical gates from analytically designed error correcting codes and can be extended to error correcting codes found by numerical optimizations. We test the procedure by simulation on classical computers on small quantum codes of four qubits to fifteen qubits and show that it finds most logical gates known in the current literature. Additionally, it generates logical gates not found in the current literature for the [[5,1,2]] code, the [[6,3,2]] code, and the [[8,3,2]] code., Comment: 17 pages

Near-term quantum computers are noisy, and therefore must run algorithms with a low circuit depth and qubit count. Here we investigate how noise affects a quantum neural network (QNN) for state discrimination, applicable on near-term quantum devices as it fulfils the above criteria. We find that when simulating gradient calculation on a noisy device, a large number of parameters is disadvantageous. By introducing a new smaller circuit ansatz we overcome this limitation, and find that the QNN performs well at noise levels of current quantum hardware. We also show that networks trained at higher noise levels can still converge to useful parameters. Our findings show that noisy quantum computers can be used in applications for state discrimination and for classifiers of the output of quantum generative adversarial networks., Comment: 8 pages, 9 figures

Quantum mechanics fundamentally forbids deterministic discrimination of quantum states and processes. However, the ability to optimally distinguish various classes of quantum data is an important primitive in quantum information science. In this work, we train near-term quantum circuits to classify data represented by non-orthogonal quantum probability distributions using the Adam stochastic optimization algorithm. This is achieved by iterative interactions of a classical device with a quantum processor to discover the parameters of an unknown non-unitary quantum circuit. This circuit learns to simulates the unknown structure of a generalized quantum measurement, or Positive-Operator-Value-Measure (POVM), that is required to optimally distinguish possible distributions of quantum inputs. Notably we use universal circuit topologies, with a theoretically motivated circuit design, which guarantees that our circuits can in principle learn to perform arbitrary input-output mappings. Our numerical simulations show that shallow quantum circuits could be trained to discriminate among various pure and mixed quantum states exhibiting a trade-off between minimizing erroneous and inconclusive outcomes with comparable performance to theoretically optimal POVMs. We train the circuit on different classes of quantum data and evaluate the generalization error on unseen mixed quantum states. This generalization power hence distinguishes our work from standard circuit optimization and provides an example of quantum machine learning for a task that has inherently no classical analogue., Comment: 19 pages, 10 figures

NbTe2 crystal is quasi-2D layered semimetal with charge density wave ground state showing a distorted-1T structure at room temperature. Here we report the anisotropic magneto-transport properties of NbTe2. An anomalous linear magnetoresistance up to 30% at 3 K in 9 T was observed, which can be well explained by quantum linear magnetoresistance model. Our results reveal that a large quasi-2D Fermi surface and small Fermi pockets with linearly dispersive bands coexist in NbTe2. The comparison with the isostructural material TaTe2 provides more information about the electronic structure evolution with charge density wave transitions in NbTe2 and TaTe2., Comment: 5 pages, 4 figures

TaTe2 is a quasi-2D charge density wave (CDW) compound with distorted-1T type structure exhibiting double-zigzag chains. Here we report the Fermi surface topology of low temperature phase of TaTe2 (LT-TaTe2) by anisotropic magneto-transport and magnetic measurements on high-quality single crystals. An anomalous large linear magnetoresistance up to 140% at 3 K in 9 T was observed, suggesting the existence of a small Fermi pocket in Dirac cone state in quantum transport models. Meanwhile, strong magnetic anisotropy was observed for B (001) and B//(001). Angle-dependent magnetoresistance and de Hass-van Alphen oscillations suggest the anisotropy of the normal Fermi surface and the small Fermi pocket in Dirac cone state.

We present a quasiparticle interference study of clean and Mn surface-doped TaAs, a prototypical Weyl semimetal, to test the screening properties as well as the stability of Fermi arcs against Coulomb and magnetic scattering. Contrary to topological insulators, the impurities are effectively screened in Weyl semimetals. The adatoms significantly enhance the strength of the signal such that theoretical predictions on the potential impact of Fermi arcs can be unambiguously scrutinized. Our analysis reveals the existence of three extremely short, previously unknown scattering vectors. Comparison with theory traces them back to scattering events between large parallel segments of spin-split trivial states, strongly limiting their coherence. In sharp contrast to previous work [R. Batabyal et al., Sci. Adv. 2, e1600709 (2016)], where similar but weaker subtle modulations were interpreted as evidence of quasiparticle interference originating from Femi arcs, we can safely exclude this being the case. Overall, our results indicate that intra- as well as inter-Fermi arc scattering are strongly suppressed and may explain why-in spite of their complex multiband structure-transport measurements show signatures of topological states in Weyl monopnictides.