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Abstract A foundational assumption of quantum error correction theory is that quantum gates can be scaled to large processors without exceeding the error-threshold for fault tolerance. Two major challenges that could become fundamental roadblocks are manufacturing high-performance quantum hardware and engineering a control system that can reach its performance limits. The control challenge of scaling quantum gates from small to large processors without degrading performance often maps to non-convex, high-constraint, and time-dynamic control optimization over an exponentially expanding configuration space. Here we report on a control optimization strategy that can scalably overcome the complexity of such problems. We demonstrate it by choreographing the frequency trajectories of 68 frequency-tunable superconducting qubits to execute single- and two-qubit gates while mitigating computational errors. When combined with a comprehensive model of physical errors across our processor, the strategy suppresses physical error rates by ~3.7× compared with the case of no optimization. Furthermore, it is projected to achieve a similar performance advantage on a distance-23 surface code logical qubit with 1057 physical qubits. Our control optimization strategy solves a generic scaling challenge in a way that can be adapted to a variety of quantum operations, algorithms, and computing architectures.

The question of what generates conscious experience has mesmerized thinkers since the dawn of humanity, yet its origins remain a mystery. The topic of consciousness has gained traction in recent years, thanks to the development of large language models that now arguably pass the Turing test, an operational test for intelligence. However, intelligence and consciousness are not related in obvious ways, as anyone who suffers from a bad toothache can attest—pain generates intense feelings and absorbs all our conscious awareness, yet nothing particularly intelligent is going on. In the hard sciences, this topic is frequently met with skepticism because, to date, no protocol to measure the content or intensity of conscious experiences in an observer-independent manner has been agreed upon. Here, we present a novel proposal: Conscious experience arises whenever a quantum mechanical superposition forms. Our proposal has several implications: First, it suggests that the structure of the superposition determines the qualia of the experience. Second, quantum entanglement naturally solves the binding problem, ensuring the unity of phenomenal experience. Finally, a moment of agency may coincide with the formation of a superposition state. We outline a research program to experimentally test our conjecture via a sequence of quantum biology experiments. Applying these ideas opens up the possibility of expanding human conscious experience through brain–quantum computer interfaces.

Abstract Quantum algorithms for simulating electronic ground states are slower than popular classical mean-field algorithms such as Hartree–Fock and density functional theory but offer higher accuracy. Accordingly, quantum computers have been predominantly regarded as competitors to only the most accurate and costly classical methods for treating electron correlation. However, here we tighten bounds showing that certain first-quantized quantum algorithms enable exact time evolution of electronic systems with exponentially less space and polynomially fewer operations in basis set size than conventional real-time time-dependent Hartree–Fock and density functional theory. Although the need to sample observables in the quantum algorithm reduces the speedup, we show that one can estimate all elements of the k-particle reduced density matrix with a number of samples scaling only polylogarithmically in basis set size. We also introduce a more efficient quantum algorithm for first-quantized mean-field state preparation that is likely cheaper than the cost of time evolution. We conclude that quantum speedup is most pronounced for finite-temperature simulations and suggest several practically important electron dynamics problems with potential quantum advantage.

Abstract Quantum kernel methods show promise for accelerating data analysis by efficiently learning relationships between input data points that have been encoded into an exponentially large Hilbert space. While this technique has been used successfully in small-scale experiments on synthetic datasets, the practical challenges of scaling to large circuits on noisy hardware have not been thoroughly addressed. Here, we present our findings from experimentally implementing a quantum kernel classifier on real high-dimensional data taken from the domain of cosmology using Google’s universal quantum processor, Sycamore. We construct a circuit ansatz that preserves kernel magnitudes that typically otherwise vanish due to an exponentially growing Hilbert space, and implement error mitigation specific to the task of computing quantum kernels on near-term hardware. Our experiment utilizes 17 qubits to classify uncompressed 67 dimensional data resulting in classification accuracy on a test set that is comparable to noiseless simulation.

Expectations for quantum machine learning are high, but there is currently a lack of rigorous results on which scenarios would actually exhibit a quantum advantage. Here, the authors show how to tell, for a given dataset, whether a quantum model would give any prediction advantage over a classical one.

Experimental demonstration of quantum speedup that scales with the system size is the goal of near-term quantum computing. Here, the authors demonstrate such scaling advantage for a D-Wave quantum annealer over analogous classical algorithms in simulations of frustrated quantum magnets.

Fault-tolerant quantum computation is still far, but there could be ways in which quantum error correction could improve currently available devices. Here, the authors show how to exploit existing quantum codes through only post-processing and random measurements in order to mitigate errors in NISQ devices.

We propose a quantum algorithm for inferring the molecular nuclear spin Hamiltonian from time-resolved measurements of spin-spin correlators, which can be obtained via nuclear magnetic resonance (NMR). We focus on learning the anisotropic dipolar term of the Hamiltonian, which generates dynamics that are challenging to classically simulate in some contexts. We demonstrate the ability to directly estimate the Jacobian and Hessian of the corresponding learning problem on a quantum computer, allowing us to learn the Hamiltonian parameters. We develop algorithms for performing this computation on both noisy near-term and future fault-tolerant quantum computers. We argue that the former is promising as an early beyond-classical quantum application since it only requires evolution of a local spin Hamiltonian. We investigate the example of a protein (ubiquitin) confined on a membrane as a benchmark of our method. We isolate small spin clusters, demonstrate the convergence of our learning algorithm on one such example, and then investigate the learnability of these clusters as we cross the ergodic to nonergodic phase transition by suppressing the dipolar interaction. We see a clear correspondence between a drop in the multifractal dimension measured across many-body eigenstates of these clusters, and a transition in the structure of the Hessian of the learning cost function (from degenerate to learnable). Our hope is that such quantum computations might enable the interpretation and development of new NMR techniques for analyzing molecular structure.

Gradient-based hybrid quantum-classical algorithms are often initialised with random, unstructured guesses. Here, the authors show that this approach will fail in the long run, due to the exponentially-small probability of finding a large enough gradient along any direction.

One of the major application areas of interest for both near-term and fault-tolerant quantum computers is the optimization of classical objective functions. In this work, we develop intuitive constructions for a large class of these algorithms based on connections to simple dynamics of quantum systems, quantum walks, and classical continuous relaxations. We focus on developing a language and tools connected with kinetic energy on a graph for understanding the physical mechanisms of success and failure to guide algorithmic improvement. This physical language, in combination with uniqueness results related to unitarity, allow us to identify some potential pitfalls from kinetic energy fundamentally opposing the goal of optimization. This is connected to effects from wavefunction confinement, phase randomization, and shadow defects lurking in the objective far away from the ideal solution. As an example, we explore the surprising deficiency of many quantum methods in solving uncoupled spin problems and how this is both predictive of performance on some more complex systems while immediately suggesting simple resolutions. Further examination of canonical problems like the Hamming ramp or bush of implications show that entanglement can be strictly detrimental to performance results from the underlying mechanism of solution in approaches like the quantum approximate optimization algorithm (QAOA). Kinetic energy and graph Laplacian perspectives provide new insights to common initialization and optimal solutions in QAOA as well as new methods for more effective layerwise training. Connections to classical methods of continuous extensions, homotopy methods, and iterated rounding suggest new directions for research in quantum optimization. Throughout, we unveil many pitfalls and mechanisms in quantum optimization using a physical perspective, which aim to spur the development of novel quantum optimization algorithms and refinements.

In this perspective we discuss conditions under which it would be possible for a modest fault-tolerant quantum computer to realize a runtime advantage by executing a quantum algorithm with only a small polynomial speedup over the best classical alternative. The challenge is that the computation must finish within a reasonable amount of time while being difficult enough that the small quantum scaling advantage would compensate for the large constant factor overheads associated with error correction. We compute several examples of such runtimes using state-of-the-art surface code constructions under a variety of assumptions. We conclude that quadratic speedups will not enable quantum advantage on early generations of such fault-tolerant devices unless there is a significant improvement in how we realize quantum error correction. While this conclusion persists even if we were to increase the rate of logical gates in the surface code by more than an order of magnitude, we also repeat this analysis for speedups by other polynomial degrees and find that quartic speedups look significantly more practical.

Here we explore which heuristic quantum algorithms for combinatorial optimization might be most practical to try out on a small fault-tolerant quantum computer. We compile circuits for several variants of quantum-accelerated simulated annealing including those using qubitization or Szegedy walks to quantize classical Markov chains and those simulating spectral-gap-amplified Hamiltonians encoding a Gibbs state. We also optimize fault-tolerant realizations of the adiabatic algorithm, quantum-enhanced population transfer, the quantum approximate optimization algorithm, and other approaches. Many of these methods are bottlenecked by calls to the same subroutines; thus, optimized circuits for those primitives should be of interest regardless of which heuristic is most effective in practice. We compile these bottlenecks for several families of optimization problems and report for how long and for what size systems one can perform these heuristics in the surface code given a range of resource budgets. Our results discourage the notion that any quantum optimization heuristic realizing only a quadratic speedup achieves an advantage over classical algorithms on modest superconducting qubit surface code processors without significant improvements in the implementation of the surface code. For instance, under quantum-favorable assumptions (e.g., that the quantum algorithm requires exactly quadratically fewer steps), our analysis suggests that quantum-accelerated simulated annealing requires roughly a day and a million physical qubits to optimize spin glasses that could be solved by classical simulated annealing in about 4 CPU-minutes.

Quantum tunnelling may be advantageous for quantum annealing, but multiqubit tunnelling has not yet been observed or characterized theoretically. Here, the authors demonstrate that 8-qubit tunnelling plays a role in a D-Wave Two device through a nonperturbative theory and experimental data.

Recent work has deployed linear combinations of unitaries techniques to reduce the cost of fault-tolerant quantum simulations of correlated electron models. Here, we show that one can sometimes improve upon those results with optimized implementations of Trotter-Suzuki-based product formulas. We show that low-order Trotter methods perform surprisingly well when used with phase estimation to compute relative precision quantities (e.g. energies per unit cell), as is often the goal for condensed-phase systems. In this context, simulations of the Hubbard and plane-wave electronic structure models with $N < 10^5$ fermionic modes can be performed with roughly ${\cal O}(1)$ and ${\cal O}(N^2)$ T complexities. We perform numerics revealing tradeoffs between the error and gate complexity of a Trotter step; e.g., we show that split-operator techniques have less Trotter error than popular alternatives. By compiling to surface code fault-tolerant gates and assuming error rates of one part per thousand, we show that one can error-correct quantum simulations of interesting, classically intractable instances with a few hundred thousand physical qubits.

We introduce a fermion-to-qubit mapping defined on ternary trees, where any single Majorana operator on an $n$-mode fermionic system is mapped to a multi-qubit Pauli operator acting nontrivially on $\lceil \log_3(2n+1)\rceil$ qubits. The mapping has a simple structure and is optimal in the sense that it is impossible to construct Pauli operators in any fermion-to-qubit mapping acting nontrivially on less than $\log_3(2n)$ qubits on average. We apply it to the problem of learning $k$-fermion reduced density matrix (RDM), a problem relevant in various quantum simulation applications. We show that one can determine individual elements of all $k$-fermion RDMs in parallel, to precision $\epsilon$, by repeating a single quantum circuit for $\lesssim (2n+1)^k \epsilon^{-2}$ times. This result is based on a method we develop here that allows one to determine individual elements of all $k$-qubit RDMs in parallel, to precision $\epsilon$, by repeating a single quantum circuit for $\lesssim 3^k \epsilon^{-2}$ times, independent of the system size. This improves over existing schemes for determining qubit RDMs.

We address the long-standing problem of the structure of the low-energy eigenstates and long-time coherent dynamics in quantum spin-glass models. Below the spin-glass freezing transition, the energy landscape of the spin system is characterized by a proliferation of local minima where classical dynamics gets trapped. A theoretical description of quantum dynamics in this regime is challenging due to the complex nature of the distribution of the tunneling matrix elements between the local minima of the energy landscape. We study the transverse-field-induced quantum dynamics of the following “impurity band” (IB) spin model: zero energy of all spin configurations except for a small fraction of spin configurations (“marked states”) that form a narrow band at a large negative energy. At a zero transverse field, the IB model demonstrates the freezing transition at inverse temperature β_{f}∼1 characterized by a nonzero value of the Edwards-Anderson order parameter. At a finite transverse field, the low-energy dynamics can be described by the effective down-folded Hamiltonian that acts in the Hilbert subspace involving only the marked states. We obtain in an explicit form the heavy-tailed probability distribution of the off-diagonal matrix elements of the down-folded Hamiltonian. This Hamiltonian is dense and belongs to the class of preferred basis Levy matrices. Analytically solving nonlinear cavity equations for the ensemble of down-folded Hamiltonians allows us to describe the statistical properties of the eigenstates. In a broad interval of transverse fields, they are nonergodic, albeit extended. It means that the band of marked states splits into a set of narrow minibands. Accordingly, the quantum evolution that starts from a particular marked state leads to a linear combination of the states belonging to a particular miniband. An analytical description of this qualitatively new type of quantum dynamics is a key result of our paper. Based on our analysis, we propose the population transfer (PT) algorithm: The quantum evolution under constant transverse field B_{⊥} starts at a low-energy spin configuration and ends up in a superposition of Ω spin configurations inside a narrow energy window. This algorithm crucially relies on the nonergodic nature of delocalized low-energy eigenstates. In the considered model, the run-time of the best classical algorithm (exhaustive search) is t_{cl}=2^{n}/Ω. For sqrt[n]≫B_{⊥}≫1, the typical run-time of the quantum PT algorithm sqrt[t_{cl}]e^{n/(2B_{⊥}^{2})} scales with n and Ω as that of Grover’s quantum search, except for the small correction to the exponent. Unlike the Hamiltonians proposed for analog quantum unstructured search algorithms, the model we consider is nonintegrable and the transverse field delocalizes the marked states. As a result, our PT protocol does not require fine-tuning of the transverse field and may be initialized in a computational basis state. We find that the run-times of the PT algorithm are distributed according to the alpha-stable Levy law with tail index 1. We argue that our approach can be applied to study the PT protocol in other transverse-field spin-glass models, with a potential quantum advantage over classical algorithms.

The vibrational theory of olfaction is an attempt to describe a possible mechanism for olfaction which is explanatory and provides researchers with a set of principles which permit predictions allowing for structure-odor relations. Similar theories have occurred several times throughout olfactory science; this theory has again recently come to prominence by Luca Turin, who suggested that inelastic electron tunneling is the method by which vibrations are detected by the olfactory receptors within the hose. This work is intended to convey to the reader an up-to-date account of the vibrational theory of olfaction, both the historical iterations as well as the present iteration. This text is designed to give a chronological account of both theoretical and experimental studies on the topic, while providing context, comments, and background where they were found to be needed.

We construct quantum circuits that exactly encode the spectra of correlated electron models up to errors from rotation synthesis. By invoking these circuits as oracles within the recently introduced “qubitization” framework, one can use quantum phase estimation to sample states in the Hamiltonian eigenbasis with optimal query complexity O(λ/ε), where λ is an absolute sum of Hamiltonian coefficients and ε is the target precision. For both the Hubbard model and electronic structure Hamiltonian in a second quantized basis diagonalizing the Coulomb operator, our circuits have T-gate complexity O(N+log(1/ε)), where N is the number of orbitals in the basis. This scenario enables sampling in the eigenbasis of electronic structure Hamiltonians with T complexity O(N^{3}/ε+N^{2}log(1/ε)/ε). Compared to prior approaches, our algorithms are asymptotically more efficient in gate complexity and require fewer T gates near the classically intractable regime. Compiling to surface code fault-tolerant gates and assuming per-gate error rates of one part in a thousand reveals that one can error correct phase estimation on interesting instances of these problems beyond the current capabilities of classical methods using only about a million superconducting qubits in a matter of hours.

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 O(N^{4}) second-quantized terms. We avoid this overhead and extend methods to condensed phase materials by utilizing a dual form of the plane wave basis which diagonalizes the potential operator, leading to a Hamiltonian representation with 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 O(N^{7/2}) and O[over ˜](N^{8/3}) for fixed charge densities. Variational algorithms also require significantly fewer measurements in this basis, ameliorating a primary challenge of that approach. While our approach applies to the simulation of arbitrary electronic structure problems, the basis sets explored in this work will be most practical for treating periodic systems, such as crystalline materials, in the near term. 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.

We use Pontryagin’s minimum principle to optimize variational quantum algorithms. We show that for a fixed computation time, the optimal evolution has a bang-bang (square pulse) form, both for closed and open quantum systems with Markovian decoherence. Our findings support the choice of evolution ansatz in the recently proposed quantum approximate optimization algorithm. Focusing on the Sherrington-Kirkpatrick spin glass as an example, we find a system-size independent distribution of the duration of pulses, with characteristic time scale set by the inverse of the coupling constants in the Hamiltonian. The optimality of the bang-bang protocols and the characteristic time scale of the pulses provide an efficient parametrization of the protocol and inform the search for effective hybrid (classical and quantum) schemes for tackling combinatorial optimization problems. Furthermore, we find that the success rates of our optimal bang-bang protocols remain high even in the presence of weak external noise and coupling to a thermal bath.

Quantum annealing (QA) has been proposed as a quantum enhanced optimization heuristic exploiting tunneling. Here, we demonstrate how finite-range tunneling can provide considerable computational advantage. For a crafted problem designed to have tall and narrow energy barriers separating local minima, the D-Wave 2X quantum annealer achieves significant runtime advantages relative to simulated annealing (SA). For instances with 945 variables, this results in a time-to-99%-success-probability that is ∼10^{8} times faster than SA running on a single processor core. We also compare physical QA with the quantum Monte Carlo algorithm, an algorithm that emulates quantum tunneling on classical processors. We observe a substantial constant overhead against physical QA: D-Wave 2X again runs up to ∼10^{8} times faster than an optimized implementation of the quantum Monte Carlo algorithm on a single core. We note that there exist heuristic classical algorithms that can solve most instances of Chimera structured problems in a time scale comparable to the D-Wave 2X. However, it is well known that such solvers will become ineffective for sufficiently dense connectivity graphs. To investigate whether finite-range tunneling will also confer an advantage for problems of practical interest, we conduct numerical studies on binary optimization problems that cannot yet be represented on quantum hardware. For random instances of the number partitioning problem, we find numerically that algorithms designed to simulate QA scale better than SA. We discuss the implications of these findings for the design of next-generation quantum annealers.