Fermionic tensor network methods

We introduce the concept of concatenated tensor networks to efficiently describe quantum states. We show that the corresponding concatenated tensor network states can efficiently describe time evolution and possess arbitrary block-wise entanglement and long-ranged correlations. We illustrate the approach for the enhancement of matrix product states, i.e. one-dimensional (1D) tensor networks, where we replace each of the matrices of the original matrix product state with another 1D tensor network. This procedure yields a 2D tensor network, which includes—already for tensor dimension 2—all states that can be prepared by circuits of polynomially many (possibly non-unitary) two-qubit quantum operations, as well as states resulting from time evolution with respect to Hamiltonians with short-ranged interactions. We investigate the possibility of efficiently extracting information from these states, which serves as the basic step in a variational optimization procedure. To this aim, we utilize the known exact and approximate methods for 2D tensor networks and demonstrate some improvements thereof, which are also applicable e.g. in the context of 2D projected entangled pair states. We generalize the approach to higher dimensional and tree tensor networks.

Strongly correlated systems exhibit phenomena -- such as high-T_c superconductivity or the fractional quantum Hall effect -- that are not explicable by classical and semi-classical methods. Moreover, due to the exponential scaling of the associated Hilbert space, solving the proposed model Hamiltonians by brute-force numerical methods is bound to fail. Thus, it is important to develop novel numerical and analytical methods that can explain the physics in this regime. Tensor Network states are quantum many-body states that help to overcome some of these difficulties by defining a family of states that depend only on a small number of parameters. Their use is twofold: they are used as variational ansatzes in numerical algorithms as well as providing a framework to represent a large class of exactly solvable models that are believed to represent all possible phases of matter. The present thesis investigates mathematical properties of these states thus deepening the understanding of how and why Tensor Networks are suitable for the description of quantum many-body systems. It is believed that tensor networks can represent ground states of local Hamiltonians, but how good is this representation? This question is of fundamental importance as variational algorithms based on tensor networks can only perform well if any ground state can be approximated efficiently in such a way. While any state can be written as a tensor network state, the number of parameters needed for the description might be too large. This is not the case for one-dimensional systems: only a few parameters are required to have a good approximation of their ground states; that, in turn, allows for numerical algorithms based on tensor networks performing well. The situation in two dimensions is somewhat more complicated, but it is known that ground states of local Hamiltonians can be expressed as tensor networks with sub-exponentially many parameters. In the present thesis, we improve on these existing bounds strengthening the claim that the language of tensor networks is suitable to describe many-body systems. Another central question is how symmetries of the system such as translational invariance, time-reversal symmetry or local unitary symmetry can be reflected in tensor networks. This question is important as systems appearing in nature might intrinsically possess certain symmetries; on one hand, understanding these symmetries simplifies the description of these systems. On the other hand, the presence of symmetries leads to the appearance of novel phases -- symmetry-protected topological (SPT) order, -- and tensor networks provide the right language to classify these phases. In one dimension and for certain classes of two-dimensional tensor networks (states generated by so-called injective tensors) it is well understood how symmetries of the state can be described. A general framework, however, has yet to be developed. In the present thesis, we contribute to the development of the theory in two ways. We first investigate the question for injective tensors, and generalize the existing proof for any geometry including the hyperbolic geometry used in the AdS/CFT correspondence. Second, we introduce a class of tensor network states that include previously known examples of states exhibiting SPT order. We show how symmetries are reflected in these states thus deepening the understanding of SPT order in two dimensions.

Tensor networks are efficient factorisations of high dimensional tensors into network of lower order tensors. They have been most commonly used to model entanglement in quantum many-body systems and more recently are witnessing increased applications in supervised machine learning. In this work, we formulate image segmentation in a supervised setting with tensor networks. The key idea is to first lift the pixels in image patches to exponentially high dimensional feature spaces and using a linear decision hyper-plane to classify the input pixels into foreground and background classes. The high dimensional linear model itself is approximated using the matrix product state (MPS) tensor network. The MPS is weight-shared between the non-overlapping image patches resulting in our <em>strided tensor network</em> model. The performance of the proposed model is evaluated on three three 2D- and one 3D- biomedical imaging datasets. The performance of the proposed tensor network segmentation model is compared with relevant baseline methods. In the 2D experiments, the tensor network model yeilds competitive performance compared to the baseline methods while being more resource efficient.

Tensor network quantum states are powerful tools for strongly correlated systems, tailored to capture local correlations such as in ground states with entanglement area laws. When applying tensor network states to interacting fermionic systems, a proper choice of the basis or orbitals can reduce the bond dimension of tensors and provide physically relevant orbitals. We introduce such a change of basis with unitary gates obtained from compressing fermionic Gaussian states into quantum circuits corresponding to various tensor networks. These circuits can reduce the ground-state entanglement entropy and improve the performance of algorithms such as the density matrix renormalization group. We study the Anderson impurity model with one and two impurities to show the potential of the method for improving computational efficiency and interpreting impurity physics. Furthermore, fermionic Gaussian circuits can also suppress entanglement during the time evolution out of low-energy state. Last, we consider Gaussian multiscale entanglement renormalization ansatz (GMERA) circuits which compress fermionic Gaussian states hierarchically. The emergent coarse-grained physical models from these GMERA circuits are studied in terms of their entanglement properties and suitability for performing time evolution.

Tensor networks are an important tool in condensed matter physics. In this paper, we study the task of tensor network non-zero testing (\tnit): Given a tensor network $T$, does $T$ represent a non-zero vector? We show that \tnit~is not in the Polynomial-Time Hierarchy unless the hierarchy collapses. We next show (among other results) that the special cases of \tnit~on non-negative and injective tensor networks are in NP. Using this, we make a simple observation: The commuting variant of the MA-complete stoquastic $k$-SAT problem on $D$-dimensional qudits is in NP for $k\in O(\log n)$ and $D\in O(1)$. This reveals the first class of quantum Hamiltonians whose commuting variant is known to be in NP for all (1) logarithmic $k$, (2) constant $D$, and (3) for arbitrary interaction graphs.

The benefits of exploiting the presence of symmetries in tensor network algorithms have been extensively demonstrated in the context of matrix product states (MPSs). These include the ability to select a specific symmetry sector (e.g. with a given particle number or spin), to ensure the exact preservation of total charge, and to significantly reduce computational costs. Compared to the case of a generic tensor network, the practical implementation of symmetries in the MPS is simplified by the fact that tensors only have three indices (they are trivalent, just as the Clebsch-Gordan coefficients of the symmetry group) and are organized as a one-dimensional array of tensors, without closed loops. Instead, a more complex tensor network, one where tensors have a larger number of indices and/or a more elaborate network structure, requires a more general treatment. In two recent papers, namely (i) [Phys. Rev. A 82, 050301 (2010)] and (ii) [Phys. Rev. B 83, 115125 (2011)], we described how to incorporate a global internal symmetry into a generic tensor network algorithm based on decomposing and manipulating tensors that are invariant under the symmetry. In (i) we considered a generic symmetry group G that is compact, completely reducible and multiplicity free, acting as a global internal symmetry. Then in (ii) we described the practical implementation of Abelian group symmetries. In this paper we describe the implementation of non-Abelian group symmetries in great detail and for concreteness consider an SU(2) symmetry. Our formalism can be readily extended to more exotic symmetries associated with conservation of total fermionic or anyonic charge. As a practical demonstration, we describe the SU(2)-invariant version of the multi-scale entanglement renormalization ansatz and apply it to study the low energy spectrum of a quantum spin chain with a global SU(2) symmetry.

The conventional tensor-network states employ real-space product states as reference wave functions. Here, we propose a many-variable variational Monte Carlo (mVMC) method combined with tensor networks by taking advantages of both to study fermionic models. The variational wave function is composed of a pair product wave function operated by real space correlation factors and tensor networks. Moreover, we can apply quantum number projections, such as spin, momentum and lattice symmetry projections, to recover the symmetry of the wave function to further improve the accuracy. We benchmark our method for one- and two-dimensional Hubbard models, which show significant improvement over the results obtained individually either by mVMC or by tensor network. We have applied the present method to hole doped Hubbard model on the square lattice, which indicates the stripe charge/spin order coexisting with a weak $d$-wave superconducting order in the ground state for the doping concentration less than 0.3, where the stripe oscillation period gets longer with increasing hole concentration. The charge homogeneous and highly superconducting state also exists as a metastable excited state for the doping concentration less than 0.25.

Tensor networks, a class of variational quantum many-body wave functions have attracted considerable research interest across many disciplines, including classical machine learning. Recently, Aizpurua et al. demonstrated explainable anomaly detection with matrix product states on a discrete-valued cyber-security task, using quantum-inspired methods to gain insight into the learned model and detected anomalies. Here, we extend this framework to real-valued data domains. We furthermore introduce tree tensor networks for the task of explainable anomaly detection. We demonstrate these methods with three benchmark problems, show adequate predictive performance compared to several baseline models and both tensor network architectures' ability to explain anomalous samples. We thereby extend the application of tensor networks to a broader class of potential problems and open a pathway for future extensions to more complex tensor network architectures.

Tensor networks are factorisations of high rank tensors into networks of lower rank tensors and have primarily been used to analyse quantum many-body problems. Tensor networks have seen a recent surge of interest in relation to supervised learning tasks with a focus on image classification. In this work, we improve upon the matrix product state (MPS) tensor networks that can operate on one-dimensional vectors to be useful for working with 2D and 3D medical images. We treat small image regions as orderless, squeeze their spatial information into feature dimensions and then perform MPS operations on these locally orderless regions. These local representations are then aggregated in a hierarchical manner to retain global structure. The proposed locally orderless tensor network (LoTeNet) is compared with relevant methods on three datasets. The architecture of LoTeNet is fixed in all experiments and we show it requires lesser computational resources to attain performance on par or superior to the compared methods.

Tensor network states and methods have erupted in recent years. Originally developed in the context of condensed matter physics and based on renormalization group ideas, tensor networks lived a revival thanks to quantum information theory and the understanding of entanglement in quantum many-body systems. Moreover, it has been not-so-long realized that tensor network states play a key role in other scientific disciplines, such as quantum gravity and artificial intelligence. In this context, here we provide an overview of basic concepts and key developments in the field. In particular, we briefly discuss the most important tensor network structures and algorithms, together with a sketch on advances related to global and gauge symmetries, fermions, topological order, classification of phases, entanglement Hamiltonians, AdS/CFT, artificial intelligence, the 2d Hubbard model, 2d quantum antiferromagnets, conformal field theory, quantum chemistry, disordered systems, and many-body localization.

Efficient methods to access the entanglement of a quantum many-body state, where the complexity generally scales exponentially with the system size N, have long been a concern. Here we propose the Schmidt tensor network state (Schmidt TNS) that efficiently represents the Schmidt decomposition of finite- and even infinite-size quantum states with nontrivial bipartition boundary. The key idea is to represent the Schmidt coefficients (i.e., entanglement spectrum) and transformations in the decomposition to tensor networks (TNs) with linearly scaled complexity versus N. Specifically, the transformations are written as the TNs formed by local unitary tensors, and the Schmidt coefficients are encoded in a positive-definite matrix product state (MPS). Translational invariance can be imposed on the TNs and MPS for the infinite-size cases. The validity of Schmidt TNS is demonstrated by simulating the ground state of the quasi-one-dimensional spin model with geometrical frustration. Our results show that the MPS encoding the Schmidt coefficients is weakly entangled even when the entanglement entropy of the decomposed state is strong. This justifies the efficiency of using MPS to encode the Schmidt coefficients, and promises an exponential speedup on the full-state sampling tasks.

We propose an environment recycling scheme to speed up a class of tensor network algorithms that produce an approximation to the ground state of a local Hamiltonian by simulating an evolution in imaginary time. Specifically, we consider the time-evolving block decimation (TEBD) algorithm applied to infinite systems in 1D and 2D, where the ground state is encoded, respectively, in a matrix product state (MPS) and in a projected entangled-pair state (PEPS). An important ingredient of the TEBD algorithm (and a main computational bottleneck, especially with PEPS in 2D) is the computation of the so-called environment, which is used to determine how to optimally truncate the bond indices of the tensor network so that their dimension is kept constant. In current algorithms, the environment is computed at each step of the imaginary time evolution, to account for the changes that the time evolution introduces in the many-body state represented by the tensor network. Our key insight is that close to convergence, most of the changes in the environment are due to a change in the choice of gauge in the bond indices of the tensor network, and not in the many-body state. Indeed, a consistent choice of gauge in the bond indices confirms that the environment is essentially the same over many time steps and can thus be re-used, leading to very substantial computational savings. We demonstrate the resulting approach in 1D and 2D by computing the ground state of the quantum Ising model in a transverse magnetic field.

We propose a restricted class of tensor network state, built from number-state preserving tensors, for supervised learning tasks. This class of tensor network is argued to be a natural choice for classifiers as 1) they map classical data to classical data, and thus preserve the interpretability of data under tensor transformations, 2) they can be efficiently trained to maximize their scalar product against classical data sets, and 3) they seem to be as powerful as generic (unrestricted) tensor networks in this task. Our proposal is demonstrated using a variety of benchmark classification problems, where number-state preserving versions of commonly used networks (including MPS, TTN and MERA) are trained as effective classifiers. This work opens the path for powerful tensor network methods such as MERA, which were previously computationally intractable as classifiers, to be employed for difficult tasks such as image recognition.

Tensor network methods are incredibly effective for simulating quantum circuits. This is due to their ability to efficiently represent and manipulate the wave-functions of large interacting quantum systems. We describe the challenges faced when scaling tensor network simulation approaches to Exascale compute platforms and introduce QuantEx, a framework for tensor network circuit simulation at Exascale.

Using exact diagonalization and tensor network techniques we compute the gap\nfor the AKLT Hamiltonian in 1D and 2D spatial dimensions. Tensor Network\nmethods are used to extract physical properties directly in the thermodynamic\nlimit, and we support these results using finite-size scalings from exact\ndiagonalization. Studying the AKLT Hamiltonian perturbed by an external field,\nwe show how to obtain an accurate value of the gap of the original AKLT\nHamiltonian from the field value at which the ground state verifies e_0<0,\nwhich is a quantum critical point. With the Tensor Network Renormalization\nGroup methods we provide evidence of a finite gap in the thermodynamic limit\nfor the AKLT models in the 1D chain and 2D hexagonal and square lattices. This\nmethod can be applied generally to Hamiltonians with rotational symmetry, and\nwe also show results beyond the AKLT model.\n