arXiv subjects

Josh Izaac

Publications and source records attributed to Josh Izaac.

At least 19 recordsLinked to original sources

arXiv2026

Python in the front, party in the Backline: compiling quantum workloads across CPUs, GPUs, and FPGAs

Moving from quantum research and development to production-grade, fault-tolerant quantum workload execution remains one of the most significant challenges facing quantum platform builders. While Python frameworks have enabled an easy entry point for quantum algorithm design, the low-latency requirements for real-time quantum error correction (QEC) demand performance that traditional interpreted environments cannot provide. FPGAs and ASICs play a central role at these layers, but their specialized programming models make development rigid and time-consuming. CPUs, GPUs, and other accelerators introduce a different challenge: as infrastructure becomes increasingly heterogeneous, programming across different devices and their associated abstractions becomes more complex. Allowing researchers to write workloads in high-level languages that map to low-latency execution across diverse distributed target platforms will enable the development of key infrastructure for utility-scale quantum systems. For this, we introduce $\textit{Backline}$, a heterogeneous compilation and runtime framework built within PennyLane and Catalyst. Backline allows us to design and build quantum-classical workloads for high-performance and low-latency devices, with compilation directly from a Python interface through MLIR. We demonstrate the compilation and execution of several quantum workloads with low-latency data movement across a mix of CPUs, GPUs, and FPGAs, for both local and distributed remote hardware targets, all from a vendor-agnostic Python frontend. With an AMD VPK120 FPGA board as the controller, issuing each round from its hardware-handshake engine, we measured median steady-state round-trip latencies over RoCE v2 of $2.305~\mu$s to an AMD Ryzen Threadripper PRO CPU and $4.5~\mu$s to an AMD Instinct MI210 GPU across $10^6-1$ rounds per path, demonstrating microsecond-scale synchronous co-processing.

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arXiv2026

Integrating Quantum Software Tools with(in) MLIR

Compilers transform code into action. They convert high-level programs into executable hardware instructions - a crucial step in enabling reliable and scalable quantum computation. However, quantum compilation is still in its infancy, and many existing solutions are ad hoc, often developed independently and from scratch. The resulting lack of interoperability leads to significant missed potential, as quantum software tools remain isolated and cannot be seamlessly integrated into cohesive toolchains. The Multi-Level Intermediate Representation (MLIR) has addressed analogous challenges in the classical domain. It was developed within the LLVM project, which has long powered robust software stacks and enabled compilation across diverse software and hardware components, with particular importance in high-performance computing environments. However, MLIR's steep learning curve poses a significant barrier to entry, particularly in quantum computing, where much of the software stack is still predominantly built by experimentalists out of necessity rather than by experienced software engineers. This paper provides a practical and hands-on guide for quantum software engineers to overcome this steep learning curve. Through a concrete case study linking Xanadu's PennyLane framework with the Munich Quantum Toolkit (MQT), we outline actionable integration steps, highlight best practices, and share hard-earned insights from real-world development. This work aims to support quantum tool developers in navigating MLIR's complexities and to foster its adoption as a unifying bridge across a rapidly growing ecosystem of quantum software tools, ultimately guiding the development of more modular, interoperable, and integrated quantum software stacks.

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arXiv2025

Constant-time hybrid compilation of Shor's algorithm with quantum just-in-time compilation

Continuous improvements in quantum computing hardware are exposing the need for simultaneous advances in software. Large-scale implementation of quantum algorithms requires rapid and automated compilation routines such as circuit synthesis and optimization. As systems move towards fault-tolerance, programming frameworks and compilers must also be capable of compiling and optimizing programs comprising both classical and quantum code. This work takes a step in that direction by providing an implementation of Shor's factoring algorithm, compiled to elementary quantum gates using PennyLane and Catalyst, a library for quantum just-in-time (QJIT) compilation of hybrid workflows. We demonstrate that with QJIT compilation, the algorithm is compiled once per bit width of $N$, the integer being factored, even when $N$-specific optimizations are applied to circuit generation based on values determined at runtime. The implementation is benchmarked up to 32-bit $N$, and both the size of the compiled program and the pure compilation time are found to be constant (under 3 seconds on a laptop computer), meaning code generation becomes tractable even for realistic problem sizes.

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arXiv2023

Differentiable quantum computational chemistry with PennyLane

This work describes the theoretical foundation for all quantum chemistry functionality in PennyLane, a quantum computing software library specializing in quantum differentiable programming. We provide an overview of fundamental concepts in quantum chemistry, including the basic principles of the Hartree-Fock method. A flagship feature in PennyLane is the differentiable Hartree-Fock solver, allowing users to compute exact gradients of molecular Hamiltonians with respect to nuclear coordinates and basis set parameters. PennyLane provides specialized operations for quantum chemistry, including excitation gates as Givens rotations and templates for quantum chemistry circuits. Moreover, built-in simulators exploit sparse matrix techniques for representing molecular Hamiltonians that lead to fast simulation for quantum chemistry applications. In combination with PennyLane's existing methods for constructing, optimizing, and executing circuits, these methods allow users to implement a wide range of quantum algorithms for quantum chemistry. We discuss how PennyLane can be used to implement variational algorithms for calculating ground-state energies, excited-state energies, and energy derivatives, all of which can be differentiated with respect to both circuit and Hamiltonian parameters. We provide an example workflow describing how to jointly optimize circuit parameters, nuclear coordinates, and basis set parameters for quantum chemistry algorithms. We discuss a functionality for reducing the number of qubits by using symmetries and explain how PennyLane can be used to estimate quantum resources needed to implement several quantum algorithms. By combining insights from quantum computing, computational chemistry, and machine learning, PennyLane is the first library for differentiable quantum computational chemistry.

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arXiv2022

Predicting Properties of Quantum Systems with Conditional Generative Models

Machine learning has emerged recently as a powerful tool for predicting properties of quantum many-body systems. For many ground states of gapped Hamiltonians, generative models can learn from measurements of a single quantum state to reconstruct the state accurately enough to predict local observables. Alternatively, classification and regression models can predict local observables by learning from measurements on different but related states. In this work, we combine the benefits of both approaches and propose the use of conditional generative models to simultaneously represent a family of states, learning shared structures of different quantum states from measurements. The trained model enables us to predict arbitrary local properties of ground states, even for states not included in the training data, without necessitating further training for new observables. We first numerically validate our approach on 2D random Heisenberg models using simulations of up to 45 qubits. Furthermore, we conduct quantum simulations on a neutral-atom quantum computer and demonstrate that our method can accurately predict the quantum phases of square lattices of 13$\times$13 Rydberg atoms.

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arXiv2022

PennyLane: Automatic differentiation of hybrid quantum-classical computations

PennyLane is a Python 3 software framework for differentiable programming of quantum computers. The library provides a unified architecture for near-term quantum computing devices, supporting both qubit and continuous-variable paradigms. PennyLane's core feature is the ability to compute gradients of variational quantum circuits in a way that is compatible with classical techniques such as backpropagation. PennyLane thus extends the automatic differentiation algorithms common in optimization and machine learning to include quantum and hybrid computations. A plugin system makes the framework compatible with any gate-based quantum simulator or hardware. We provide plugins for hardware providers including the Xanadu Cloud, Amazon Braket, and IBM Quantum, allowing PennyLane optimizations to be run on publicly accessible quantum devices. On the classical front, PennyLane interfaces with accelerated machine learning libraries such as TensorFlow, PyTorch, JAX, and Autograd. PennyLane can be used for the optimization of variational quantum eigensolvers, quantum approximate optimization, quantum machine learning models, and many other applications.

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arXiv2022

General parameter-shift rules for quantum gradients

Variational quantum algorithms are ubiquitous in applications of noisy intermediate-scale quantum computers. Due to the structure of conventional parametrized quantum gates, the evaluated functions typically are finite Fourier series of the input parameters. In this work, we use this fact to derive new, general parameter-shift rules for single-parameter gates, and provide closed-form expressions to apply them. These rules are then extended to multi-parameter quantum gates by combining them with the stochastic parameter-shift rule. We perform a systematic analysis of quantum resource requirements for each rule, and show that a reduction in resources is possible for higher-order derivatives. Using the example of the quantum approximate optimization algorithm, we show that the generalized parameter-shift rule can reduce the number of circuit evaluations significantly when computing derivatives with respect to parameters that feed into many gates. Our approach additionally reproduces reconstructions of the evaluated function up to a chosen order, leading to known generalizations of the Rotosolve optimizer and new extensions of the quantum analytic descent optimization algorithm.

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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

Fast simulation of bosonic qubits via Gaussian functions in phase space

Bosonic qubits are a promising route to building fault-tolerant quantum computers on a variety of physical platforms. Studying the performance of bosonic qubits under realistic gates and measurements is challenging with existing analytical and numerical tools. We present a novel formalism for simulating classes of states that can be represented as linear combinations of Gaussian functions in phase space. This formalism allows us to analyze and simulate a wide class of non-Gaussian states, transformations and measurements. We demonstrate how useful classes of bosonic qubits -- Gottesman-Kitaev-Preskill (GKP), cat, and Fock states -- can be simulated using this formalism, opening the door to investigating the behaviour of bosonic qubits under Gaussian channels and measurements, non-Gaussian transformations such as those achieved via gate teleportation, and important non-Gaussian measurements such as threshold and photon-number detection. Our formalism enables simulating these situations with levels of accuracy that are not feasible with existing methods. Finally, we use a method informed by our formalism to simulate circuits critical to the study of fault-tolerant quantum computing with bosonic qubits but beyond the reach of existing techniques. Specifically, we examine how finite-energy GKP states transform under realistic qubit phase gates; interface with a CV cluster state; and transform under non-Clifford T gate teleportation using magic states. We implement our simulation method as a part of the open-source Strawberry Fields Python library.

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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

Production of photonic universal quantum gates enhanced by machine learning

We introduce photonic architectures for universal quantum computation. The first step is to produce a resource state which is a superposition of the first four Fock states with a probability $\geq 10^{-2}$, an increase by a factor of $10^4$ over standard sequential photon-subtraction techniques. The resource state is produced with near-perfect fidelity from a quantum gadget that uses displaced squeezed vacuum states, interferometers and photon-number resolving detectors. The parameters of this gadget are trained using machine learning algorithms for variational circuits. We discuss in detail various aspects of the non-Gaussian state preparation resulting from the numerical experiments. We then propose a notion of resource farms where these gadgets are stacked in parallel, to increase the success probability further. We find a trade-off between the success probability of the farm, the error tolerance, and the number of gadgets. Using the resource states in conventional gate teleportation techniques we can then implement weak tuneable cubic phase gates. The numerical tools that have been developed could potentially be useful for other applications in photonics as well.

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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

OpenFermion: The Electronic Structure Package for Quantum Computers

Quantum simulation of chemistry and materials is predicted to be an important application for both near-term and fault-tolerant quantum devices. However, at present, developing and studying algorithms for these problems can be difficult due to the prohibitive amount of domain knowledge required in both the area of chemistry and quantum algorithms. To help bridge this gap and open the field to more researchers, we have developed the OpenFermion software package (www.openfermion.org). OpenFermion is an open-source software library written largely in Python under an Apache 2.0 license, aimed at enabling the simulation of fermionic models and quantum chemistry problems on quantum hardware. Beginning with an interface to common electronic structure packages, it simplifies the translation between a molecular specification and a quantum circuit for solving or studying the electronic structure problem on a quantum computer, minimizing the amount of domain expertise required to enter the field. The package is designed to be extensible and robust, maintaining high software standards in documentation and testing. This release paper outlines the key motivations behind design choices in OpenFermion and discusses some basic OpenFermion functionality which we believe will aid the community in the development of better quantum algorithms and tools for this exciting area of research.

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