arXiv subjects

Nathan Wiebe

Publications and source records attributed to Nathan Wiebe.

At least 127 records · Page 7Linked to original sources

arXiv2018

Improved Techniques for Preparing Eigenstates of Fermionic Hamiltonians

Modeling low energy eigenstates of fermionic systems can provide insight into chemical reactions and material properties and is one of the most anticipated applications of quantum computing. We present three techniques for reducing the cost of preparing fermionic Hamiltonian eigenstates using phase estimation. First, we report a polylogarithmic-depth quantum algorithm for antisymmetrizing the initial states required for simulation of fermions in first quantization. This is an exponential improvement over the previous state-of-the-art. Next, we show how to reduce the overhead due to repeated state preparation in phase estimation when the goal is to prepare the ground state to high precision and one has knowledge of an upper bound on the ground state energy that is less than the excited state energy (often the case in quantum chemistry). Finally, we explain how one can perform the time evolution necessary for the phase estimation based preparation of Hamiltonian eigenstates with exactly zero error by using the recently introduced qubitization procedure.

quant-ph↗

arXiv2018

Quantum Simulation of Electronic Structure with Linear Depth and Connectivity

As physical implementations of quantum architectures emerge, it is increasingly important to consider the cost of algorithms for practical connectivities between qubits. We show that by using an arrangement of gates that we term the fermionic swap network, we can simulate a Trotter step of the electronic structure Hamiltonian in exactly $N$ depth and with $N^2/2$ two-qubit entangling gates, and prepare arbitrary Slater determinants in at most $N/2$ depth, all assuming only a minimal, linearly connected architecture. We conjecture that no explicit Trotter step of the electronic structure Hamiltonian is possible with fewer entangling gates, even with arbitrary connectivities. These results represent significant practical improvements on the cost of most Trotter based algorithms for both variational and phase estimation based simulation of quantum chemistry.

quant-ph↗

arXiv2018

Low Depth Quantum Simulation of Electronic Structure

Quantum simulation of the electronic structure problem is one of the most researched applications of quantum computing. The majority of quantum algorithms for this problem encode the wavefunction using $N$ Gaussian orbitals, leading to Hamiltonians with ${\cal O}(N^4)$ second-quantized terms. We avoid this overhead and extend methods to the condensed phase by utilizing a dual form of the plane wave basis which diagonalizes the potential operator, leading to a Hamiltonian representation with ${\cal O}(N^2)$ second-quantized terms. Using this representation we can implement single Trotter steps of the Hamiltonians with linear gate depth on a planar lattice. Properties of the basis allow us to deploy Trotter and Taylor series based simulations with respective circuit depths of ${\cal O}(N^{7/2})$ and $\widetilde{\cal O}(N^{8/3})$ for fixed charge densities - both are large asymptotic improvements over all prior results. Variational algorithms also require significantly fewer measurements to find the mean energy in this basis, ameliorating a primary challenge of that approach. We conclude with a proposal to simulate the uniform electron gas (jellium) using a low depth variational ansatz realizable on near-term quantum devices. From these results we identify simulations of low density jellium as a promising first setting to explore quantum supremacy in electronic structure.

quant-ph↗

arXiv2017

Experimental Phase Estimation Enhanced By Machine Learning

Phase estimation protocols provide a fundamental benchmark for the field of quantum metrology. The latter represents one of the most relevant applications of quantum theory, potentially enabling the capability of measuring unknown physical parameters with improved precision over classical strategies. Within this context, most theoretical and experimental studies have focused on determining the fundamental bounds and how to achieve them in the asymptotic regime where a large number of resources is employed. However, in most applications it is necessary to achieve optimal precisions by performing only a limited number of measurements. To this end, machine learning techniques can be applied as a powerful optimization tool. Here, we implement experimentally single-photon adaptive phase estimation protocols enhanced by machine learning, showing the capability of reaching optimal precision after a small number of trials. In particular, we introduce a new approach for Bayesian estimation that exhibit best performances for very low number of photons N. Furthermore, we study the resilience to noise of the tested methods, showing that the optimized Bayesian approach is very robust in the presence of imperfections. Application of this methodology can be envisaged in the more general multiparameter case, that represents a paradigmatic scenario for several tasks including imaging or Hamiltonian learning.

quant-ph↗

arXiv2017

Hardening Quantum Machine Learning Against Adversaries

Security for machine learning has begun to become a serious issue for present day applications. An important question remaining is whether emerging quantum technologies will help or hinder the security of machine learning. Here we discuss a number of ways that quantum information can be used to help make quantum classifiers more secure or private. In particular, we demonstrate a form of robust principal component analysis that, under some circumstances, can provide an exponential speedup relative to robust methods used at present. To demonstrate this approach we introduce a linear combinations of unitaries Hamiltonian simulation method that we show functions when given an imprecise Hamiltonian oracle, which may be of independent interest. We also introduce a new quantum approach for bagging and boosting that can use quantum superposition over the classifiers or splits of the training set to aggregate over many more models than would be possible classically. Finally, we provide a private form of $k$--means clustering that can be used to prevent an all powerful adversary from learning more than a small fraction of a bit from any user. These examples show the role that quantum technologies can play in the security of ML and vice versa. This illustrates that quantum computing can provide useful advantages to machine learning apart from speedups.

quant-ph↗

arXiv2017

Logic Synthesis for Quantum Computing

We present a synthesis framework to map logic networks into quantum circuits for quantum computing. The synthesis framework is based on LUT networks (lookup-table networks), which play a key role in conventional logic synthesis. Establishing a connection between LUTs in a LUT network and reversible single-target gates in a reversible network allows us to bridge conventional logic synthesis with logic synthesis for quantum computing, despite several fundamental differences. We call our synthesis framework LUT-based Hierarchical Reversible Logic Synthesis (LHRS). Input to LHRS is a classical logic network; output is a quantum network (realized in terms of Clifford+$T$ gates). The framework offers to trade-off the number of qubits for the number of quantum gates. In a first step, an initial network is derived that only consists of single-target gates and already completely determines the number of qubits in the final quantum network. Different methods are then used to map each single-target gate into Clifford+$T$ gates, while aiming at optimally using available resources. We demonstrate the effectiveness of our method in automatically synthesizing IEEE compliant floating point networks up to double precision. As many quantum algorithms target scientific simulation applications, they can make rich use of floating point arithmetic components. But due to the lack of quantum circuit descriptions for those components, it can be difficult to find a realistic cost estimation for the algorithms. Our synthesized benchmarks provide cost estimates that allow quantum algorithm designers to provide the first complete cost estimates for a host of quantum algorithms. Thus, the benchmarks and, more generally, the LHRS framework are an essential step towards the goal of understanding which quantum algorithms will be practical in the first generations of quantum computers.

quant-ph↗

arXiv2017

Bounding the costs of quantum simulation of many-body physics in real space

We present a quantum algorithm for simulating the dynamics of a first-quantized Hamiltonian in real space based on the truncated Taylor series algorithm. We avoid the possibility of singularities by applying various cutoffs to the system and using a high-order finite difference approximation to the kinetic energy operator. We find that our algorithm can simulate $η$ interacting particles using a number of calculations of the pairwise interactions that scales, for a fixed spatial grid spacing, as $\tilde{O}(η^2)$, versus the $\tilde{O}(η^5)$ time required by previous methods (assuming the number of orbitals is proportional to $η$), and scales super-polynomially better with the error tolerance than algorithms based on the Lie-Trotter-Suzuki product formula. Finally, we analyze discretization errors that arise from the spatial grid and show that under some circumstances these errors can remove the exponential speedups typically afforded by quantum simulation.

quant-ph↗

arXiv2017

Experimental Quantum Hamiltonian Learning

Efficiently characterising quantum systems, verifying operations of quantum devices and validating underpinning physical models, are central challenges for the development of quantum technologies and for our continued understanding of foundational physics. Machine-learning enhanced by quantum simulators has been proposed as a route to improve the computational cost of performing these studies. Here we interface two different quantum systems through a classical channel - a silicon-photonics quantum simulator and an electron spin in a diamond nitrogen-vacancy centre - and use the former to learn the latter's Hamiltonian via Bayesian inference. We learn the salient Hamiltonian parameter with an uncertainty of approximately $10^{-5}$. Furthermore, an observed saturation in the learning algorithm suggests deficiencies in the underlying Hamiltonian model, which we exploit to further improve the model itself. We go on to implement an interactive version of the protocol and experimentally show its ability to characterise the operation of the quantum photonic device. This work demonstrates powerful new quantum-enhanced techniques for investigating foundational physical models and characterising quantum technologies.

quant-ph↗

arXiv2017

Experimental Bayesian Quantum Phase Estimation on a Silicon Photonic Chip

Quantum phase estimation is a fundamental subroutine in many quantum algorithms, including Shor's factorization algorithm and quantum simulation. However, so far results have cast doubt on its practicability for near-term, non-fault tolerant, quantum devices. Here we report experimental results demonstrating that this intuition need not be true. We implement a recently proposed adaptive Bayesian approach to quantum phase estimation and use it to simulate molecular energies on a Silicon quantum photonic device. The approach is verified to be well suited for pre-threshold quantum processors by investigating its superior robustness to noise and decoherence compared to the iterative phase estimation algorithm. This shows a promising route to unlock the power of quantum phase estimation much sooner than previously believed.

quant-ph↗

arXiv2016

Tomography and Generative Data Modeling via Quantum Boltzmann Training

The promise of quantum neural nets, which utilize quantum effects to model complex data sets, has made their development an aspirational goal for quantum machine learning and quantum computing in general. Here we provide new methods of training quantum Boltzmann machines, which are a class of recurrent quantum neural network. Our work generalizes existing methods and provides new approaches for training quantum neural networks that compare favorably to existing methods. We further demonstrate that quantum Boltzmann machines enable a form of quantum state tomography that not only estimates a state but provides a perscription for generating copies of the reconstructed state. Classical Boltzmann machines are incapable of this. Finally we compare small non-stoquastic quantum Boltzmann machines to traditional Boltzmann machines for generative tasks and observe evidence that quantum models outperform their classical counterparts.

quant-ph↗

arXiv2016

Design Automation and Design Space Exploration for Quantum Computers

A major hurdle to the deployment of quantum linear systems algorithms and recent quantum simulation algorithms lies in the difficulty to find inexpensive reversible circuits for arithmetic using existing hand coded methods. Motivated by recent advances in reversible logic synthesis, we synthesize arithmetic circuits using classical design automation flows and tools. The combination of classical and reversible logic synthesis enables the automatic design of large components in reversible logic starting from well-known hardware description languages such as Verilog. As a prototype example for our approach we automatically generate high quality networks for the reciprocal $1/x$, which is necessary for quantum linear systems algorithms.

quant-ph↗

arXiv2016

Structured Filtering

A major challenge facing existing sequential Monte-Carlo methods for parameter estimation in physics stems from the inability of existing approaches to robustly deal with experiments that have different mechanisms that yield the results with equivalent probability. We address this problem here by proposing a form of particle filtering that clusters the particles that comprise the sequential Monte-Carlo approximation to the posterior before applying a resampler. Through a new graphical approach to thinking about such models, we are able to devise an artificial-intelligence based strategy that automatically learns the shape and number of the clusters in the support of the posterior. We demonstrate the power of our approach by applying it to randomized gap estimation and a form of low circuit-depth phase estimation where existing methods from the physics literature either exhibit much worse performance or even fail completely.

quant-ph↗

arXiv2016

Randomized gap and amplitude estimation

We provide a method for estimating spectral gaps in low-dimensional systems. Unlike traditional phase estimation, our approach does not require ancillary qubits nor does it require well characterised gates. Instead, it only requires the ability to perform approximate Haar-random unitary operations, applying the unitary whose eigenspectrum is sought out and performing measurements in the computational basis. We discuss application of these ideas to in-place amplitude estimation and quantum device calibration.

quant-ph↗

arXiv2016

Elucidating Reaction Mechanisms on Quantum Computers

We show how a quantum computer can be employed to elucidate reaction mechanisms in complex chemical systems, using the open problem of biological nitrogen fixation in nitrogenase as an example. We discuss how quantum computers can augment classical-computer simulations for such problems, to significantly increase their accuracy and enable hitherto intractable simulations. Detailed resource estimates show that, even when taking into account the substantial overhead of quantum error correction, and the need to compile into discrete gate sets, the necessary computations can be performed in reasonable time on small quantum computers. This demonstrates that quantum computers will realistically be able to tackle important problems in chemistry that are both scientifically and economically significant.

quant-ph↗

arXiv2016

Quantum Perceptron Models

We demonstrate how quantum computation can provide non-trivial improvements in the computational and statistical complexity of the perceptron model. We develop two quantum algorithms for perceptron learning. The first algorithm exploits quantum information processing to determine a separating hyperplane using a number of steps sublinear in the number of data points $N$, namely $O(\sqrt{N})$. The second algorithm illustrates how the classical mistake bound of $O(\frac{1}{γ^2})$ can be further improved to $O(\frac{1}{\sqrtγ})$ through quantum means, where $γ$ denotes the margin. Such improvements are achieved through the application of quantum amplitude amplification to the version space interpretation of the perceptron model.

quant-ph↗

arXiv2015

Can small quantum systems learn?

We examine the question of whether quantum mechanics places limitations on the ability of small quantum devices to learn. We specifically examine the question in the context of Bayesian inference, wherein the prior and posterior distributions are encoded in the quantum state vector. We conclude based on lower bounds from Grover's search that an efficient blackbox method for updating the distribution is impossible. We then address this by providing a new adaptive form of approximate quantum Bayesian inference that is polynomially faster than its classical analogue and tractable if the quantum system is augmented with classical memory or if the low-order moments of the distribution are protected using a repetition code. This work suggests that there may be a connection between fault tolerance and the capacity of a quantum system to learn from its surroundings.

quant-ph↗

arXiv2015

Partial Reinitialisation for Optimisers

Heuristic optimisers which search for an optimal configuration of variables relative to an objective function often get stuck in local optima where the algorithm is unable to find further improvement. The standard approach to circumvent this problem involves periodically restarting the algorithm from random initial configurations when no further improvement can be found. We propose a method of partial reinitialization, whereby, in an attempt to find a better solution, only sub-sets of variables are re-initialised rather than the whole configuration. Much of the information gained from previous runs is hence retained. This leads to significant improvements in the quality of the solution found in a given time for a variety of optimisation problems in machine learning.

stat.ML↗

arXiv2015

Bayesian inference via rejection filtering

We provide a method for approximating Bayesian inference using rejection sampling. We not only make the process efficient, but also dramatically reduce the memory required relative to conventional methods by combining rejection sampling with particle filtering. We also provide an approximate form of rejection sampling that makes rejection filtering tractable in cases where exact rejection sampling is not efficient. Finally, we present several numerical examples of rejection filtering that show its ability to track time dependent parameters in online settings and also benchmark its performance on MNIST classification problems.

cs.LG↗