arXiv subjects

Nathan Killoran

Publications and source records attributed to Nathan Killoran.

At least 37 records · Page 2Linked to original sources

arXiv2022

Jet: Fast quantum circuit simulations with parallel task-based tensor-network contraction

We introduce a new open-source software library Jet, which uses task-based parallelism to obtain speed-ups in classical tensor-network simulations of quantum circuits. These speed-ups result from i) the increased parallelism introduced by mapping the tensor-network simulation to a task-based framework, ii) a novel method of reusing shared work between tensor-network contraction tasks, and iii) the concurrent contraction of tensor networks on all available hardware. We demonstrate the advantages of our method by benchmarking our code on several Sycamore-53 and Gaussian boson sampling (GBS) supremacy circuits against other simulators. We also provide and compare theoretical performance estimates for tensor-network simulations of Sycamore-53 and GBS supremacy circuits for the first time.

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arXiv2022

Quantum computing with differentiable quantum transforms

We present a framework for differentiable quantum transforms. Such transforms are metaprograms capable of manipulating quantum programs in a way that preserves their differentiability. We highlight their potential with a set of relevant examples across quantum computing (gradient computation, circuit compilation, and error mitigation), and implement them using the transform framework of PennyLane, a software library for differentiable quantum programming. In this framework, the transforms themselves are differentiable and can be parametrized and optimized, which opens up the possibility of improved quantum resource requirements across a spectrum of tasks.

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arXiv2021

Variational quantum algorithm for molecular geometry optimization

Classical algorithms for predicting the equilibrium geometry of strongly correlated molecules require expensive wave function methods that become impractical already for few-atom systems. In this work, we introduce a variational quantum algorithm for finding the most stable structure of a molecule by explicitly considering the parametric dependence of the electronic Hamiltonian on the nuclear coordinates. The equilibrium geometry of the molecule is obtained by minimizing a more general cost function that depends on both the quantum circuit and the Hamiltonian parameters, which are simultaneously optimized at each step. The algorithm is applied to find the equilibrium geometries of the $\mathrm{H}_2$, $\mathrm{H}_3^+$, $\mathrm{BeH}_2$ and $\mathrm{H}_2\mathrm{O}$ molecules. The quantum circuits used to prepare the electronic ground state for each molecule were designed using an adaptive algorithm where excitation gates in the form of Givens rotations are selected according to the norm of their gradient. All quantum simulations are performed using the PennyLane library for quantum differentiable programming. The optimized geometrical parameters for the simulated molecules show an excellent agreement with their counterparts computed using classical quantum chemistry methods.

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arXiv2021

Graph isomorphism and Gaussian boson sampling

We introduce a connection between a near-term quantum computing device, specifically a Gaussian boson sampler, and the graph isomorphism problem. We propose a scheme where graphs are encoded into quantum states of light, whose properties are then probed with photon-number-resolving detectors. We prove that the probabilities of different photon-detection events in this setup can be combined to give a complete set of graph invariants. Two graphs are isomorphic if and only if their detection probabilities are equivalent. We present additional ways that the measurement probabilities can be combined or coarse-grained to make experimental tests more amenable. We benchmark these methods with numerical simulations on the Titan supercomputer for several graph families: pairs of isospectral nonisomorphic graphs, isospectral regular graphs, and strongly regular graphs.

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arXiv2021

Estimating the gradient and higher-order derivatives on quantum hardware

For a large class of variational quantum circuits, we show how arbitrary-order derivatives can be analytically evaluated in terms of simple parameter-shift rules, i.e., by running the same circuit with different shifts of the parameters. As particular cases, we obtain parameter-shift rules for the Hessian of an expectation value and for the metric tensor of a variational state, both of which can be efficiently used to analytically implement second-order optimization algorithms on a quantum computer. We also consider the impact of statistical noise by studying the mean squared error of different derivative estimators. In the second part of this work, some of the theoretical techniques for evaluating quantum derivatives are applied to their typical use case: the implementation of quantum optimizers. We find that the performance of different estimators and optimizers is intertwined with the values of different hyperparameters, such as a step size or a number of shots. Our findings are supported by several numerical and hardware experiments, including an experimental estimation of the Hessian of a simple variational circuit and an implementation of the Newton optimizer.

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arXiv2020

Transfer learning in hybrid classical-quantum neural networks

We extend the concept of transfer learning, widely applied in modern machine learning algorithms, to the emerging context of hybrid neural networks composed of classical and quantum elements. We propose different implementations of hybrid transfer learning, but we focus mainly on the paradigm in which a pre-trained classical network is modified and augmented by a final variational quantum circuit. This approach is particularly attractive in the current era of intermediate-scale quantum technology since it allows to optimally pre-process high dimensional data (e.g., images) with any state-of-the-art classical network and to embed a select set of highly informative features into a quantum processor. We present several proof-of-concept examples of the convenient application of quantum transfer learning for image recognition and quantum state classification. We use the cross-platform software library PennyLane to experimentally test a high-resolution image classifier with two different quantum computers, respectively provided by IBM and Rigetti.

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arXiv2020

Quantum Natural Gradient

A quantum generalization of Natural Gradient Descent is presented as part of a general-purpose optimization framework for variational quantum circuits. The optimization dynamics is interpreted as moving in the steepest descent direction with respect to the Quantum Information Geometry, corresponding to the real part of the Quantum Geometric Tensor (QGT), also known as the Fubini-Study metric tensor. An efficient algorithm is presented for computing a block-diagonal approximation to the Fubini-Study metric tensor for parametrized quantum circuits, which may be of independent interest.

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arXiv2020

Quantum embeddings for machine learning

Quantum classifiers are trainable quantum circuits used as machine learning models. The first part of the circuit implements a quantum feature map that encodes classical inputs into quantum states, embedding the data in a high-dimensional Hilbert space; the second part of the circuit executes a quantum measurement interpreted as the output of the model. Usually, the measurement is trained to distinguish quantum-embedded data. We propose to instead train the first part of the circuit -- the embedding -- with the objective of maximally separating data classes in Hilbert space, a strategy we call quantum metric learning. As a result, the measurement minimizing a linear classification loss is already known and depends on the metric used: for embeddings separating data using the l1 or trace distance, this is the Helstrom measurement, while for the l2 or Hilbert-Schmidt distance, it is a simple overlap measurement. This approach provides a powerful analytic framework for quantum machine learning and eliminates a major component in current models, freeing up more precious resources to best leverage the capabilities of near-term quantum information processors.

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arXiv2019

Applications of Near-Term Photonic Quantum Computers: Software and Algorithms

Gaussian Boson Sampling (GBS) is a near-term platform for photonic quantum computing. Recent efforts have led to the discovery of GBS algorithms with applications to graph-based problems, point processes, and molecular vibronic spectra in chemistry. The development of dedicated quantum software is a key enabler in permitting users to program devices and implement algorithms. In this work, we introduce a new applications layer for the Strawberry Fields photonic quantum computing library. The applications layer provides users with the necessary tools to design and implement algorithms using GBS with only a few lines of code. This paper serves a dual role as an introduction to the software, supported with example code, and also a review of the current state of the art in GBS algorithms.

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arXiv2019

Point Processes with Gaussian Boson Sampling

Random point patterns are ubiquitous in nature, and statistical models such as point processes, i.e., algorithms that generate stochastic collections of points, are commonly used to simulate and interpret them. We propose an application of quantum computing to statistical modeling by establishing a connection between point processes and Gaussian Boson Sampling, an algorithm for special-purpose photonic quantum computers. We show that Gaussian Boson Sampling can be used to implement a class of point processes based on hard-to-compute matrix functions which, in general, are intractable to simulate classically. We also discuss situations where polynomial-time classical methods exist. This leads to a family of efficient quantum-inspired point processes, including a new fast classical algorithm for permanental point processes. We investigate the statistical properties of point processes based on Gaussian Boson Sampling and reveal their defining property: like bosons that bunch together, they generate collections of points that form clusters. Finally, we discuss several additional properties of these point processes which we illustrate with example applications.

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arXiv2019

Quantum-inspired memory-enhanced stochastic algorithms

Stochastic models are highly relevant tools in science, engineering, and society. Recent work suggests emerging quantum computing technologies can substantially decrease the memory requirements for simulating stochastic models. Here we show that some of these recent quantum memory-enhanced algorithms can be either implemented or approximated classically. In other words, we show that it is possible to develop quantum-inspired classical algorithms that require much less memory than the best classical algorithms known to date. Being classical, such algorithms could be implemented in state-of-the-art high-performance computers, which could potentially enhance the study of large-scale complex systems. Furthermore, since memory is the main bottleneck limiting the performance of classical supercomputers in one of the most promising avenues to demonstrate quantum 'supremacy', we expect adaptations of these ideas may potentially further raise the bar for near-term quantum computers to reach such a milestone.

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arXiv2019

Strawberry Fields: A Software Platform for Photonic Quantum Computing

We introduce Strawberry Fields, an open-source quantum programming architecture for light-based quantum computers, and detail its key features. Built in Python, Strawberry Fields is a full-stack library for design, simulation, optimization, and quantum machine learning of continuous-variable circuits. The platform consists of three main components: (i) an API for quantum programming based on an easy-to-use language named Blackbird; (ii) a suite of three virtual quantum computer backends, built in NumPy and TensorFlow, each targeting specialized uses; and (iii) an engine which can compile Blackbird programs on various backends, including the three built-in simulators, and -- in the near future -- photonic quantum information processors. The library also contains examples of several paradigmatic algorithms, including teleportation, (Gaussian) boson sampling, instantaneous quantum polynomial, Hamiltonian simulation, and variational quantum circuit optimization.

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arXiv2019

A Quantum Approximate Optimization Algorithm for continuous problems

We introduce a quantum approximate optimization algorithm (QAOA) for continuous optimization. The algorithm is based on the dynamics of a quantum system moving in an energy potential which encodes the objective function. By approximating the dynamics at finite time steps, the algorithm can be expressed as alternating evolution under two non-commuting Hamiltonians. We show that each step of the algorithm updates the wavefunction in the direction of its local gradient, with an additional momentum-dependent displacement. For initial states in a superposition over many points, this method can therefore be interpreted as a coherent version of gradient descent, i.e., 'gradient descent in superposition.' This approach can be used for both constrained and unconstrained optimization. In terms of computational complexity, we show how variants of the algorithm can recover continuous-variable Grover search, and how a single iteration can replicate continuous-variable instantaneous quantum polynomial circuits. We also discuss how the algorithm can be adapted to solve discrete optimization problems. Finally, we test the algorithm through numerical simulation in optimizing the Styblinski-Tang function.

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arXiv2018

Gaussian Boson Sampling using threshold detectors

We study what is arguably the most experimentally appealing Boson Sampling architecture: Gaussian states sampled with threshold detectors. We show that in this setting, the probability of observing a given outcome is related to a matrix function that we name the Torontonian, which plays an analogous role to the permanent or the Hafnian in other models. We also prove that, provided that the probability of observing two or more photons in a single output mode is sufficiently small, our model remains intractable to simulate classically under standard complexity-theoretic conjectures. Finally, we leverage the mathematical simplicity of the model to introduce a physically motivated, exact sampling algorithm for all Boson Sampling models that employ Gaussian states and threshold detectors.

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arXiv2018

Evaluating analytic gradients on quantum hardware

An important application for near-term quantum computing lies in optimization tasks, with applications ranging from quantum chemistry and drug discovery to machine learning. In many settings --- most prominently in so-called parametrized or variational algorithms --- the objective function is a result of hybrid quantum-classical processing. To optimize the objective, it is useful to have access to exact gradients of quantum circuits with respect to gate parameters. This paper shows how gradients of expectation values of quantum measurements can be estimated using the same, or almost the same, architecture that executes the original circuit. It generalizes previous results for qubit-based platforms, and proposes recipes for the computation of gradients of continuous-variable circuits. Interestingly, in many important instances it is sufficient to run the original quantum circuit twice while shifting a single gate parameter to obtain the corresponding component of the gradient. More general cases can be solved by conditioning a single gate on an ancilla.

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arXiv2018

Machine learning method for state preparation and gate synthesis on photonic quantum computers

We show how techniques from machine learning and optimization can be used to find circuits of photonic quantum computers that perform a desired transformation between input and output states. In the simplest case of a single input state, our method discovers circuits for preparing a desired quantum state. In the more general case of several input and output relations, our method obtains circuits that reproduce the action of a target unitary transformation. We use a continuous-variable quantum neural network as the circuit architecture. The network is composed of several layers of optical gates with variable parameters that are optimized by applying automatic differentiation using the TensorFlow backend of the Strawberry Fields photonic quantum computer simulator. We demonstrate the power and versatility of our methods by learning how to use short-depth circuits to synthesize single photons, Gottesman-Kitaev-Preskill states, NOON states, cubic phase gates, random unitaries, cross-Kerr interactions, as well as several other states and gates. We routinely obtain high fidelities above 99\% using short-depth circuits, typically consisting of a few hundred gates. The circuits are obtained automatically by simply specifying the target state or gate and running the optimization algorithm.

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arXiv2018

Continuous-variable quantum neural networks

We introduce a general method for building neural networks on quantum computers. The quantum neural network is a variational quantum circuit built in the continuous-variable (CV) architecture, which encodes quantum information in continuous degrees of freedom such as the amplitudes of the electromagnetic field. This circuit contains a layered structure of continuously parameterized gates which is universal for CV quantum computation. Affine transformations and nonlinear activation functions, two key elements in neural networks, are enacted in the quantum network using Gaussian and non-Gaussian gates, respectively. The non-Gaussian gates provide both the nonlinearity and the universality of the model. Due to the structure of the CV model, the CV quantum neural network can encode highly nonlinear transformations while remaining completely unitary. We show how a classical network can be embedded into the quantum formalism and propose quantum versions of various specialized model such as convolutional, recurrent, and residual networks. Finally, we present numerous modeling experiments built with the Strawberry Fields software library. These experiments, including a classifier for fraud detection, a network which generates Tetris images, and a hybrid classical-quantum autoencoder, demonstrate the capability and adaptability of CV quantum neural networks.

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arXiv2018

Quantum generative adversarial networks

Quantum machine learning is expected to be one of the first potential general-purpose applications of near-term quantum devices. A major recent breakthrough in classical machine learning is the notion of generative adversarial training, where the gradients of a discriminator model are used to train a separate generative model. In this work and a companion paper, we extend adversarial training to the quantum domain and show how to construct generative adversarial networks using quantum circuits. Furthermore, we also show how to compute gradients -- a key element in generative adversarial network training -- using another quantum circuit. We give an example of a simple practical circuit ansatz to parametrize quantum machine learning models and perform a simple numerical experiment to demonstrate that quantum generative adversarial networks can be trained successfully.

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