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Ben Jaderberg

Publications and source records attributed to Ben Jaderberg.

11 recordsLinked to original sources

Learning ground state observables from quantum computing experiments

Recent theoretical progress has established conditions under which machine learning models can efficiently predict ground-state properties of gapped local Hamiltonians when trained on quantum-generated data. Previous experimental demonstrations in this paradigm, however, have largely been limited to small systems or highly structured states, due to the difficulty of preparing many-body ground states on quantum processors. In this work, we demonstrate learning from experimental quantum data generated from approximate ground states of the two-dimensional Heisenberg XXZ model with system sizes up to 115 qubits. We construct a dataset of single-site expectation values, two-point correlations, and 12-body loop correlations across the antiferromagnetic phase. We then train neural networks on this data and show that they can accurately predict spatially resolved observables for previously unseen Hamiltonian parameters, both within the training distribution and in an out-of-distribution regime approaching the phase boundary. Our results demonstrate the practical realization of learning from quantum data for an interacting two-dimensional many-body system at scale, motivating a path toward regimes where quantum processors could provide training data beyond the reach of classical approximation methods.

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Preparing 100-qubit symmetry-protected topological order on a digital quantum computer

Symmetry-protected topological (SPT) phases extend the Landau paradigm of quantum matter by admitting distinct symmetry-preserving phases that lack any local order parameter. Demonstrating these phases at scale on programmable quantum processors is a key milestone in using quantum hardware to probe emergent many-body phenomena, yet it is impeded by the circuit depth normally required to capture non-trivial entanglement. Here we use a tensor network based approximate quantum compiling (AQC) protocol to construct shallow quantum circuits (18-39 CNOT depth), which prepare 100-site ground states of the spin-1/2 bond-alternating Heisenberg chain in both SPT phases, to 97.9-99.0% fidelity. Upon executing the circuits on IBM quantum hardware, the resulting states exhibit all defining signatures of SPT order including non-local string order for strings of up to length 20, characteristic degeneracies in the entanglement spectrum and clear evidence of symmetry-protected edge modes. The simultaneous observation of these independent diagnostics establishes current quantum computers as versatile platforms for large-scale studies of symmetry-protected quantum matter. More broadly, our results establish a practical foundation for probing non-equilibrium quench dynamics of such systems in regimes that challenge classical computational methods.

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Observation of Improved Accuracy over Classical Sparse Ground-State Solvers using a Quantum Computer

Demonstrating quantum advantage over classical algorithms for ground state energy problems is an outstanding open problem in quantum computation. We experimentally demonstrate that a quantum algorithm can outperform classical selected configuration interaction (SCI) methods, a key family of techniques used in computational chemistry and condensed matter physics. We construct a class of local Hamiltonian problems with sparse ground states, and show that SCI fails to find the ground state of a 49-qubit instance. We then show that sample-based Krylov quantum diagonalization, run on an IBM Heron R3 processor, succeeds at the same task. While the problem is solvable classically using iterative solvers designed to target our Hamiltonian construction, this work resolves the question of whether a sample-based quantum diagonalization algorithm can outperform standard SCI heuristics.

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Fourier Fingerprints of Ansatzes in Quantum Machine Learning

Typical schemes to encode classical data in variational quantum machine learning (QML) lead to quantum Fourier models with $\mathcal{O}(\exp(n))$ Fourier basis functions in the number of qubits. Despite this, in order for the model to be efficiently trainable, the number of parameters must scale as $\mathcal{O}(\mathrm{poly}(n))$. This imbalance implies the existence of correlations between the Fourier modes, which depend on the structure of the circuit. In this work, we demonstrate that this phenomenon exists and show cases where these correlations can be used to predict ansatz performance. For several popular ansatzes, we numerically compute the Fourier coefficient correlations (FCCs) and construct the Fourier fingerprint, a visual representation of the correlation structure. We subsequently show how, for the problem of learning random Fourier series, the FCC correctly predicts relative performance of ansatzes whilst the widely-used expressibility metric does not. Finally, we demonstrate how our framework applies to the more challenging problem of jet reconstruction in high-energy physics. Overall, our results demonstrate how the Fourier fingerprint is a powerful new tool in the problem of optimal ansatz choice for QML.

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Computing band gaps of periodic materials via sample-based quantum diagonalization

A key objective of computational solid state physics is to predict electronic properties of periodic materials. However, electronic structure simulations based on density functional theory fail to predict experimental results if correlations are not properly accounted for. Here, we report a sample-based quantum diagonalization workflow for simulating electronic states of periodic materials, and for predicting their band gaps. To that end, we devise a general lattice Hamiltonian representation in which material-specific, electronic interaction parameters are obtained self-consistently. Two exemplar, wide-gap materials - hafnium dioxide and zirconium dioxide - are expressed as quantum circuits that leverage the lattice representation with a materials-specific parametrization. We sample the quantum circuits on a state-of-the-art, superconducting quantum processor and diagonalize the lattice Hamiltonian in the reduced configuration subspaces with standard techniques. Our method outperforms select quantum-chemical benchmarks as well as approaches based on density functional theory, the standard reference in materials simulation of solids. Importantly, the quantum-computed band gap predictions for the two dielectrics agree with independent lab experiments. In essence, quantum-classical hybrid simulation workflows on pre-fault tolerant quantum computers produce useful, experimentally verifiable property predictions in applied materials science.

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Variational preparation of normal matrix product states on quantum computers

Preparing matrix product states (MPSs) on quantum computers is an essential routine in the simulation of many-body physics. However, widely-used schemes based on staircase circuits are often too deep to execute on current hardware. Here we demonstrate that MPSs with short-range correlations can be prepared with shallow circuits by leveraging heuristics from approximate quantum compiling (AQC). We achieve this with ADAPT-AQC, an adaptive-ansatz preparation algorithm, and introduce a generalised initialisation procedure for the existing AQC-Tensor algorithm. We first compare these methods for the task of preparing a molecular electronic structure ground state. We then use them to prepare an antiferromagnetic (AFM) ground state of the 50-site Heisenberg XXZ spin chain near the AFM-XY phase boundary. Through the execution of circuits with up to 59 CZ depth and 1251 CZ gates, we perform a global quench and observe the relaxation of magnetic ordering in a parameter regime previously inaccessible due to deep ground state preparation circuits. Our results demonstrate how the integration of quantum and classical resources can push the boundary of what can be studied on quantum computers.

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Potential of quantum scientific machine learning applied to weather modelling

In this work we explore how quantum scientific machine learning can be used to tackle the challenge of weather modelling. Using parameterised quantum circuits as machine learning models, we consider two paradigms: supervised learning from weather data and physics-informed solving of the underlying equations of atmospheric dynamics. In the first case, we demonstrate how a quantum model can be trained to accurately reproduce real-world global stream function dynamics at a resolution of 4{\deg}. We detail a number of problem-specific classical and quantum architecture choices used to achieve this result. Subsequently, we introduce the barotropic vorticity equation (BVE) as our model of the atmosphere, which is a $3^{\text{rd}}$ order partial differential equation (PDE) in its stream function formulation. Using the differentiable quantum circuits algorithm, we successfully solve the BVE under appropriate boundary conditions and use the trained model to predict unseen future dynamics to high accuracy given an artificial initial weather state. Whilst challenges remain, our results mark an advancement in terms of the complexity of PDEs solved with quantum scientific machine learning.

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Let Quantum Neural Networks Choose Their Own Frequencies

Parameterized quantum circuits as machine learning models are typically well described by their representation as a partial Fourier series of the input features, with frequencies uniquely determined by the feature map's generator Hamiltonians. Ordinarily, these data-encoding generators are chosen in advance, fixing the space of functions that can be represented. In this work we consider a generalization of quantum models to include a set of trainable parameters in the generator, leading to a trainable frequency (TF) quantum model. We numerically demonstrate how TF models can learn generators with desirable properties for solving the task at hand, including non-regularly spaced frequencies in their spectra and flexible spectral richness. Finally, we showcase the real-world effectiveness of our approach, demonstrating an improved accuracy in solving the Navier-Stokes equations using a TF model with only a single parameter added to each encoding operation. Since TF models encompass conventional fixed frequency models, they may offer a sensible default choice for variational quantum machine learning.

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Recompilation-enhanced simulation of electron-phonon dynamics on IBM Quantum computers

Simulating quantum systems is believed to be one of the first applications for which quantum computers may demonstrate a useful advantage. For many problems in physics, we are interested in studying the evolution of the electron-phonon Hamiltonian, for which efficient digital quantum computing schemes exist. Yet to date, no accurate simulation of this system has been produced on real quantum hardware. In this work, we consider the absolute resource cost for gate-based quantum simulation of small electron-phonon systems as dictated by the number of Trotter steps and bosonic energy levels necessary for the convergence of dynamics. We then apply these findings to perform experiments on IBM quantum hardware for both weak and strong electron-phonon coupling. Despite significant device noise, through the use of approximate circuit recompilation we obtain electron-phonon dynamics on current quantum computers comparable to exact diagonalisation. Our results represent a significant step in utilising near term quantum computers for simulation of quantum dynamics and highlight the novelty of approximate circuit recompilation as a tool for reducing noise.

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Quantum Self-Supervised Learning

The resurgence of self-supervised learning, whereby a deep learning model generates its own supervisory signal from the data, promises a scalable way to tackle the dramatically increasing size of real-world data sets without human annotation. However, the staggering computational complexity of these methods is such that for state-of-the-art performance, classical hardware requirements represent a significant bottleneck to further progress. Here we take the first steps to understanding whether quantum neural networks could meet the demand for more powerful architectures and test its effectiveness in proof-of-principle hybrid experiments. Interestingly, we observe a numerical advantage for the learning of visual representations using small-scale quantum neural networks over equivalently structured classical networks, even when the quantum circuits are sampled with only 100 shots. Furthermore, we apply our best quantum model to classify unseen images on the ibmq\_paris quantum computer and find that current noisy devices can already achieve equal accuracy to the equivalent classical model on downstream tasks.

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Minimum Hardware Requirements for Hybrid Quantum-Classical DMFT

We numerically emulate noisy intermediate-scale quantum (NISQ) devices and determine the minimal hardware requirements for two-site hybrid quantum-classical dynamical mean-field theory (DMFT). We develop a circuit recompilation algorithm which significantly reduces the number of quantum gates of the DMFT algorithm and find that the quantum-classical algorithm converges if the two-qubit gate fidelities are larger than 99%. The converged results agree with the exact solution within 10%, and perfect agreement within noise-induced error margins can be obtained for two-qubit gate fidelities exceeding 99.9%. By comparison, the quantum-classical algorithm without circuit recompilation requires a two-qubit gate fidelity of at least 99.999% to achieve perfect agreement with the exact solution. We thus find quantum-classical DMFT calculations can be run on the next generation of NISQ devices if combined with the recompilation techniques developed in this work.

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