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In a cosmological setting, particle production is ubiquitous. It may occur as a consequence of the expansion of the background or because a field couples to other degrees of freedom that evolve with time. The process is well understood in the context of quantum field theory, and calculable as long as the produced quanta are weakly interacting. For extended objects like strings and membranes a second quantized formulation is much less developed than for particles. In this light, we revisit particle production from a first quantized perspective. We show how to obtain occupation numbers, both from the vacuum persistence amplitude and from the Green's function. We also derive the much less studied but phenomenologically interesting two-particle wavefunction of the produced quanta., Comment: 47 pages, 2 figures, 5 appendices

Decoherence of quantum hardware is currently limiting its practical applications. At the same time, classical algorithms for simulating quantum circuits have progressed substantially. Here, we demonstrate a hybrid framework that integrates classical simulations with quantum hardware to improve the computation of an observable's expectation value by reducing the quantum circuit depth. In this framework, a quantum circuit is partitioned into two subcircuits: one that describes the backpropagated Heisenberg evolution of an observable, executed on a classical computer, while the other is a Schr\"odinger evolution run on quantum processors. The overall effect is to reduce the depths of the circuits executed on quantum devices, trading this with classical overhead and an increased number of circuit executions. We demonstrate the effectiveness of this method on a Hamiltonian simulation problem, achieving more accurate expectation value estimates compared to using quantum hardware alone., Comment: 18 pages, 10 figures

Motivated by a popular code golf challenge, we review some key ideas from information theory and discuss how to efficiently compress a streaming file with an acceptable error rate.

Accurately describing strongly correlated systems with affordable quantum resources remains a central challenge for quantum chemistry applications on near and intermediate-term quantum computers. The localized active space self-consistent field (LASSCF) approximates the complete active space self-consistent field (CASSCF) by generating active space-based wave functions within specific fragments while treating interfragment correlation with mean-field approach, hence is computationally less expensive. Hardware-efficient ansatzes (HEA) offer affordable and shallower circuits, yet they often fail to capture the necessary correlation. Previously, Jastrow-factor-inspired non-unitary qubit operators were proposed to use with HEA for variational quantum eigensolver (VQE) calculations (nuVQE), as they do not increase circuit depths and recover correlation beyond the mean-field level for Hartree-Fock initial states. Here, we explore running nuVQE with LASSCF as the initial state. The method, named LAS-nuVQE, is shown to recover interfragment correlations, reach chemical accuracy with a small number of gates (<70) in both H4 and square cyclobutadiene. To further address the inherent symmetry-breaking in HEA, we implemented spin-constrained LAS-nuVQE to extend the capabilities of HEA further and show spin-pure results for square cyclobutadiene. We mitigate the increased measurement overhead of nuVQE via Pauli grouping and shot-frugal sampling, reducing measurement costs by up to two orders of magnitude compared to ungrouped operator, and show that one can achieve better accuracy with a small number of shots (10^3-4) per one expectation value calculation compared to noiseless simulations with one or two orders of magnitude more shots. Finally, wall clock time estimates show that, with our measurement mitigation protocols, nuVQE becomes a cheaper and more accurate alternative than VQE with HEA.

A new and detailed measurement of the cross section for hard exclusive neutral-pion muoproduction on the proton was performed in a wide kinematic region, with the photon virtuality $Q^2$ ranging from 1 to 8 (GeV/$c$)$^{\rm\, 2}$ and the Bjorken variable $x_{\rm Bj}$ ranging from 0.02 to 0.45. The data were collected at COMPASS at CERN using 160 GeV/$c$ longitudinally polarised $\mu^+$ and $\mu^-$ beams scattering off a 2.5 m long liquid hydrogen target. From the average of the measured $\mu^+$ and $\mu^-$ cross sections, the virtual-photon--proton cross section is determined as a function of the squared four-momentum transfer between the initial and final state proton in the range 0.08 (GeV/$c$)$^{\rm\, 2}$ $< |t| <$ 0.64 (GeV/$c$)$^{\rm\, 2}$. From its angular distribution, the combined contribution of transversely and longitudinally polarised photons are determined, as well as transverse--transverse and longitudinal--transverse interference contributions. They are studied as functions of four-momentum transfer $|t|$, photon virtuality $Q^2$ and virtual-photon energy $\nu$. The longitudinal--transverse interference contribution is found to be compatible with zero. The significant transverse--transverse interference contribution reveals the existence of a dominant contribution by transversely polarized photons. This provides clear experimental evidence for the chiral-odd GPD $\overline{E}_T$. In addition, the existence of a non-negligible contribution of longitudinally polarized photons is suggested by the $|t|$-dependence of the cross section at $x_{\rm Bj} < $ 0.1 . Altogether, these results provide valuable input for future modelling of GPDs and thus of cross sections for exclusive pseudo-scalar meson production. Furthermore, they can be expected to facilitate the study of next-to-leading order corrections and higher-twist contributions.

The multiplicities of positive and negative pions, kaons and unidentified hadrons produced in deep-inelastic scattering are measured in bins of the Bjorken scaling variable $x$, the relative virtual-photon energy $y$ and the fraction of the virtual-photon energy transferred to the final-state hadron $z$. Data were obtained by the COMPASS Collaboration using a 160 GeV muon beam of both electric charges and a liquid hydrogen target. These measurements cover the kinematic domain with photon virtuality $Q^2 > 1$ (GeV/$c)^2$, $0.004 < x < 0.4$, $0.1 < y < 0.7$ and $0.2 < z < 0.85$, in accordance with the kinematic domain used in earlier published COMPASS multiplicity measurements with an isoscalar target. The calculation of radiative corrections was improved by using the Monte Carlo generator DJANGOH, which results in up to 12\% larger corrections in the low-$x$ region., Comment: 19 pages, 29 figures

We improve the best known upper bound on the number of edges in a unit-distance graph on $n$ vertices for each $n\in\{16,\ldots,30\}$. When $n\leq 21$, our bounds match the best known lower bounds, and we fully enumerate the densest unit-distance graphs in these cases. On the combinatorial side, our principle technique is to more efficiently generate $\mathcal{F}$-free graphs for a set of forbidden subgraphs $\mathcal{F}$. On the algebraic side, we are able to determine programmatically whether many graphs are unit-distance, using a custom embedder that is more efficient in practice than tools such as cylindrical algebraic decomposition., Comment: 18 pages, 3 tables, 63 figures; v2 has only minor changes; see also ancillary file graph6.txt

We describe Baily-Borel, toroidal, and geometric -- using the KSBA stable pairs -- compactifications of some moduli spaces of K3 surfaces with a nonsymplectic automorphism of order $3$ and $4$ for which the fixed locus of the automorphism contains a curve of genus $\ge2$. For order $3$, we treat all the maximal-dimensional such families. We show that the toroidal and the KSBA compactifications in these cases admit simple descriptions in terms of certain $ADE$ root lattices., Comment: 55 pages, 24 figures. v2: Updated references, and improved expositions by making extensive use of period domains of Type II Kulikov surfaces

In the span of four decades, quantum computation has evolved from an intellectual curiosity to a potentially realizable technology. Today, small-scale demonstrations have become possible for quantum algorithmic primitives on hundreds of physical qubits and proof-of-principle error-correction on a single logical qubit. Nevertheless, despite significant progress and excitement, the path toward a full-stack scalable technology is largely unknown. There are significant outstanding quantum hardware, fabrication, software architecture, and algorithmic challenges that are either unresolved or overlooked. These issues could seriously undermine the arrival of utility-scale quantum computers for the foreseeable future. Here, we provide a comprehensive review of these scaling challenges. We show how the road to scaling could be paved by adopting existing semiconductor technology to build much higher-quality qubits, employing system engineering approaches, and performing distributed quantum computation within heterogeneous high-performance computing infrastructures. These opportunities for research and development could unlock certain promising applications, in particular, efficient quantum simulation/learning of quantum data generated by natural or engineered quantum systems. To estimate the true cost of such promises, we provide a detailed resource and sensitivity analysis for classically hard quantum chemistry calculations on surface-code error-corrected quantum computers given current, target, and desired hardware specifications based on superconducting qubits, accounting for a realistic distribution of errors. Furthermore, we argue that, to tackle industry-scale classical optimization and machine learning problems in a cost-effective manner, heterogeneous quantum-probabilistic computing with custom-designed accelerators should be considered as a complementary path toward scalability., Comment: 76 pages, 46 figures. General revision, added figures, added references, added appendices

Artificial intelligence (AI) advancements over the past few years have had an unprecedented and revolutionary impact across everyday application areas. Its significance also extends to technical challenges within science and engineering, including the nascent field of quantum computing (QC). The counterintuitive nature and high-dimensional mathematics of QC make it a prime candidate for AI's data-driven learning capabilities, and in fact, many of QC's biggest scaling challenges may ultimately rest on developments in AI. However, bringing leading techniques from AI to QC requires drawing on disparate expertise from arguably two of the most advanced and esoteric areas of computer science. Here we aim to encourage this cross-pollination by reviewing how state-of-the-art AI techniques are already advancing challenges across the hardware and software stack needed to develop useful QC - from device design to applications. We then close by examining its future opportunities and obstacles in this space., Comment: 42 pages, 7 figures, 2 tables

We study webs of 5-branes with 7-branes in Type IIB string theory from a geometric perspective. To any such a web $W$, we attach a log Calabi-Yau surface $(Y,D)$ with a line bundle $L$. We then describe supersymmetric webs, which are webs defining 5d superconformal field theories (SCFTs), in terms of the geometry of $(Y,D,L)$. We also introduce particular supersymmetric webs called "consistent webs", and show that any 5d SCFT defined by a supersymmetric web can be obtained from a consistent web by adding free hypermultiplets. Using birational geometry of degenerations of log Calabi-Yau surfaces, we provide an algorithm to test the consistency of a web in terms of its dual polygon. Moreover, for a consistent web $W$, we provide an algebro-geometric construction of the mirror $\mathcal{X}^{\mathrm{can}}$ to $(Y,D,L)$, as a non-toric canonical 3-fold singularity, and show that M-theory on $\mathcal{X}^{\mathrm{can}}$ engineers the same 5d SCFT as $W$. We also explain how to derive explicit equations for $\mathcal{X}^{\mathrm{can}}$ using scattering diagrams, encoding disk worldsheet instantons in the A-model, or equivalently the BPS states of an auxiliary rank one 4d $\mathcal{N}=2$ theory., Comment: 84 pages, 36 figures

We correct errors that appear throughout "The vicious neighbour problem" by Tao and Wu. We seek to solve the following problem. Suppose $N$ nerds are distributed uniformly at random in a square region. At 3:14pm, every nerd simultaneously snipes their nearest neighbor. What is the expected proportion $P_N$ of nerds who are left unscathed in the limit as $N\to\infty$?, Comment: 10 pages, 1 figure, 3 tables. Comment on DOI 10.1088/0305-4470/20/5/008 (R Tao and F Y Wu 1987 J. Phys. A: Math. Gen. 20 L299)

CoSb3, a skutterudite compound, is key in studying thermoelectric materials. Under compression, it undergoes a 'self-insertion' isostructural transition, redistributing large Sb atoms among crystallographic sites. We investigated CoSb3's structural stability up to 70 GPa using single crystal X-ray diffraction and high-resolution X-ray scattering, including Bragg Coherent Diffraction Imaging. We examined the material in three pressure transmitting media (PTMs), exploring how PTMs and nonhydrostatic stresses affect CoSb3. Notably, the 'self-insertion' transition may reduce or even make compressibility negative. Additionally, we report a previously unknown phase transformation from cubic Im-3 to trigonal R-3 above 40 GPa and discuss the phases' distinctive behaviors., Comment: Manuscript: 27 pages, 12 Figures

The identification of cells and particles based on their transport properties in microfluidic devices is crucial for numerous applications in biology and medicine. Neutrally buoyant particles transported in microfluidic channels, migrate laterally towards stable locations. However, the effect of the particle and flow properties on these focusing positions remain largely unknown. We conduct large scale simulations with dissipative particle dynamics, demonstrating that freely moving particles exhibit significant differences in their focusing patterns from particles that are prevented from rotation. In circular pipes, we observe drastic changes in rotating versus non-rotating focusing positions. We demonstrate that rotation-induced lateral lift force is significant, unlike previously believed, and is linearly dependent on the rotation magnitude. A simple phenomenological explanation extending existing theories is presented, that agrees well with our numerical findings. For flows in square ducts, we report four face-centered stable positions for the rotating particles, in accordance with experimental studies. However, the non-rotating particles stay scattered on a concentric one-dimensional annulus, thus revealing qualitatively different behavior with respect to the free ones. Our findings suggest new designs for micro-particle and cell sorting in microfluidics devices.

For a uniformly distributed population, we show that with high probability, any majority-minority voting district containing a fraction of the population necessarily exhibits a tiny Polsby-Popper score.

For normal play, impartial games, we define penults as those positions in which every option results in an immediate win for the other player. We explore the number of tokens in penults of two positional games, Impartial Tic and Impartial Tak. We obtain a complete classification in the former case. We then explore winning strategies and further directions., Comment: 9 pages, 10 figures

Empirical evidence for a gap between the computational powers of classical and quantum computers has been provided by experiments that sample the output distributions of two-dimensional quantum circuits. Many attempts to close this gap have utilized classical simulations based on tensor network techniques, and their limitations shed light on the improvements to quantum hardware required to frustrate classical simulability. In particular, quantum computers having in excess of $\sim 50$ qubits are primarily vulnerable to classical simulation due to restrictions on their gate fidelity and their connectivity, the latter determining how many gates are required (and therefore how much infidelity is suffered) in generating highly-entangled states. Here, we describe recent hardware upgrades to Quantinuum's H2 quantum computer enabling it to operate on up to $56$ qubits with arbitrary connectivity and $99.843(5)\%$ two-qubit gate fidelity. Utilizing the flexible connectivity of H2, we present data from random circuit sampling in highly connected geometries, doing so at unprecedented fidelities and a scale that appears to be beyond the capabilities of state-of-the-art classical algorithms. The considerable difficulty of classically simulating H2 is likely limited only by qubit number, demonstrating the promise and scalability of the QCCD architecture as continued progress is made towards building larger machines., Comment: Includes minor updates to the text and an updated author list to include researchers who made technical contributions in upgrading the machine to 56 qubits but were left off the original version by mistake

In twisted layered materials (t-LMs), an inter-layer rotation can break inversion symmetry and create an interfacial array of staggered out-of-plane polarization due to AB/BA stacking registries. This symmetry breaking can also trigger the formation of edge in-plane polarizations localized along the perimeter of AB/BA regions (i.e., saddle point domains). However, a comprehensive experimental investigation of these features is still lacking. Here, we use piezo force microscopy to probe the electromechanical behavior of twisted hexagonal boron nitride (t-hBN). For a parallel stacking alignment of t-hBN, we reveal very narrow (width ~ 20 nm) saddle point polarizations, which we also measure in the anti-parallel configuration. These localized polarizations can still be found on a multiply-stacked t-hBN structure, determining the formation of a double moir\'e. We also visualize a t-hBN moir\'e superlattice in the topography maps with atomic force microscopy, related to the strain accumulated at the saddle point domains. Our findings imply that polarizations in t-hBN do not only point in the out-of-plane direction, but also show an in-plane component, giving rise to a much more complex 3D polarization field.

Interlayer excitons in transition-metal dichalcogenide heterobilayers combine high binding energy and valley-contrasting physics with long optical lifetime and strong dipolar character. Their permanent electric dipole enables electric-field control of emission energy, lifetime, and location. Device material and geometry impacts the nature of the interlayer excitons via their real- and momentum-space configurations. Here, we show that interlayer excitons in MoS$_{2}$/MoSe$_{2}$ heterobilayers are formed by charge carriers residing at the Brillouin zone edges, with negligible interlayer hybridization. We find that the moir\'e superlattice leads to the reversal of the valley-dependent optical selection rules, yielding a positively valued g-factor and cross-polarized photoluminescence. Time-resolved photoluminescence measurements reveal that the interlayer exciton population retains the optically induced valley polarization throughout its microsecond-long lifetime. The combination of long optical lifetime and valley polarization retention makes MoS$_{2}$/MoSe$_{2}$ heterobilayers a promising platform for studying fundamental bosonic interactions and developing excitonic circuits for optical information processing.

Constructing an optimal mixer for Quantum Approximate Optimization Algorithm (QAOA) Hamiltonian is crucial for enhancing the performance of QAOA in solving combinatorial optimization problems. We present a systematic methodology for constructing the QAOA tailored mixer Hamiltonian, ensuring alignment with the inherent symmetries of classical optimization problem objectives. The key to our approach is to identify an operator that commutes with the action of the group of symmetries on the QAOA underlying Hilbert space and meets the essential technical criteria for effective mixer Hamiltonian functionality. We offer a construction method specifically tailored to the symmetric group $S_d$, prevalent in a variety of combinatorial optimization problems. By rigorously validating the required properties, providing a concrete formula and corresponding quantum circuit for implementation, we establish the viability of the proposed mixer Hamiltonian. Furthermore, we demonstrate that the classical mixer $B$ commutes only with a subgroup of $S_d$ of significantly smaller order than the group itself, enhancing the efficiency of the proposed approach. To evaluate the effectiveness of our methodology, we compare two QAOA variants utilizing different mixer Hamiltonians: conventional $B=\sum X_i$ and the newly proposed $H_M$ in edge coloring and graph partitioning problems across various graphs. We observe statistically significant differences in mean values, with the new variant consistently demonstrating superior performance across multiple independent simulations. Additionally, we analyze the phenomenon of poor performance in alternative warm-start QAOA variants, providing a conceptual explanation supported by recent literature findings.

As quantum hardware continues to improve, more and more application scientists have entered the field of quantum computing. However, even with the rapid improvements in the last few years, quantum devices, especially for quantum chemistry applications, still struggle to perform calculations that classical computers could not calculate. In lieu of being able to perform specific calculations, it is important have a systematic way of estimating the resources necessary to tackle specific problems. Standard arguments about computational complexity provide hope that quantum computers will be useful for problems in quantum chemistry but obscure the true impact of many algorithmic overheads. These overheads will ultimately determine the precise point when quantum computers will perform better than classical computers. We have developed QREChem to provide logical resource estimates for ground state energy estimation in quantum chemistry through a Trotter-based quantum phase estimation approach. QREChem provides resource estimates which include the specific overheads inherent to problems in quantum chemistry by including heuristic estimates of the number of Trotter steps and number of necessary ancilla, allowing for more accurate estimates of the total number of gates. We utilize QREChem to provide logical resource estimates for a variety of small molecules in various basis sets, obtaining estimates in the range of $10^7-10^{15}$ for total number of T gates. We also determine estimates for the FeMoco molecule and compare all estimates to other resource estimation tools.

We introduce a hybrid quantum-classical algorithm, the localized active space unitary selective coupled cluster singles and doubles (LAS-USCCSD) method. Derived from the localized active space unitary coupled cluster (LAS-UCCSD) method, LAS-USCCSD first performs a classical LASSCF calculation, then selectively identifies the most important parameters (cluster amplitudes used to build the multireference UCC ansatz) for restoring inter-fragment interaction energy using this reduced set of parameters with the variational quantum eigensolver method. We benchmark LAS-USCCSD against LAS-UCCSD by calculating the total energies of $(\mathrm{H}_2)_2$, $(\mathrm{H}_2)_4$ and \textit{trans}-butadiene, and the magnetic coupling constant for a bimetallic compound [Cr$_2$(OH)$_3$(NH$_3$)$_6$]$^{3+}$. For these systems, we find that LAS-USCCSD reduces the number of required parameters and thus the circuit depth by at least one order of magnitude, an aspect which is important for the practical implementation of multireference hybrid quantum-classical algorithms like LAS-UCCSD on near-term quantum computers.

The Spin Physics Detector collaboration proposes to install a universal detector in the second interaction point of the NICA collider under construction (JINR, Dubna) to study the spin structure of the proton and deuteron and other spin-related phenomena using a unique possibility to operate with polarized proton and deuteron beams at a collision energy up to 27 GeV and a luminosity up to $10^{32}$ cm$^{-2}$ s$^{-1}$. As the main goal, the experiment aims to provide access to the gluon TMD PDFs in the proton and deuteron, as well as the gluon transversity distribution and tensor PDFs in the deuteron, via the measurement of specific single and double spin asymmetries using different complementary probes such as charmonia, open charm, and prompt photon production processes. Other polarized and unpolarized physics is possible, especially at the first stage of NICA operation with reduced luminosity and collision energy of the proton and ion beams. This document is dedicated exclusively to technical issues of the SPD setup construction.

New results are presented on a high-statistics measurement of Collins and Sivers asymmetries of charged hadrons produced in deep inelastic scattering of muons on a transversely polarised $^6$LiD target. The data were taken in 2022 with the COMPASS spectrometer using the 160 \gevv\ muon beam at CERN, balancing the existing data on transversely polarised proton targets. The first results from about two-thirds of the new data have total uncertainties smaller by up to a factor of three compared to the previous deuteron measurements. Using all the COMPASS proton and deuteron results, both the transversity and the Sivers distribution functions of the $u$ and $d$ quark, as well as the tensor charge in the measured $x$-range are extracted. In particular, the accuracy of the $d$ quark results is significantly improved.

The COMPASS Collaboration performed measurements of the Drell-Yan process in 2015 and 2018 using a 190 GeV/c $\pi^{-}$ beam impinging on a transversely polarised ammonia target. Combining the data of both years, we present final results on the amplitudes of the five azimuthal modulations in the dimuon production cross section. Three of these transverse-spin-dependent azimuthal asymmetries (TSAs) probe the nucleon leading-twist Sivers, transversity, and pretzelosity transverse-momentum dependent (TMD) parton distribution functions (PDFs). The other two are induced by subleading effects. These TSAs provide unique new inputs for the study of the nucleon TMD PDFs and their universality properties. In particular, the Sivers TSA observed in this measurement is consistent with the fundamental QCD prediction of a sign change of naive time-reversal-odd TMD PDFs when comparing the Drell-Yan process with semi-inclusive measurements of deep inelastic scattering. Also, within the context of model predictions, the observed transversity TSA is consistent with the expectation of a sign change for the Boer-Mulders function.

We prove that every irreducible component of the coarse Koll\'ar-Shepherd-Barron and Alexeev (KSBA) moduli space of stable log Calabi-Yau surfaces is a finite quotient of a projective toric variety. This verifies a conjecture of Hacking-Keel-Yu. The proof combines tools from log smooth deformation theory, the minimal model program, punctured log Gromov-Witten theory and mirror symmetry., Comment: 91 pages, 10 figures, improved exposition

Quantum computing shows great potential, but errors pose a significant challenge. This study explores new strategies for mitigating quantum errors using artificial neural networks (ANN) and the Yang-Baxter equation (YBE). Unlike traditional error mitigation methods, which are computationally intensive, we investigate artificial error mitigation. We developed a novel method that combines ANN for noise mitigation combined with the YBE to generate noisy data. This approach effectively reduces noise in quantum simulations, enhancing the accuracy of the results. The YBE rigorously preserves quantum correlations and symmetries in spin chain simulations in certain classes of integrable lattice models, enabling effective compression of quantum circuits while retaining linear scalability with the number of qubits. This compression facilitates both full and partial implementations, allowing the generation of noisy quantum data on hardware alongside noiseless simulations using classical platforms. By introducing controlled noise through the YBE, we enhance the dataset for error mitigation. We train an ANN model on partial data from quantum simulations, demonstrating its effectiveness in mitigating errors in time-evolving quantum states, providing a scalable framework to enhance quantum computation fidelity, particularly in noisy intermediate-scale quantum (NISQ) systems. We demonstrate the efficacy of this approach by performing quantum time dynamics simulations using the Heisenberg XY Hamiltonian on real quantum devices.

This work proposes a multi-circuit quantum lattice Boltzmann method (QLBM) algorithm that leverages parallel quantum computing to reduce quantum resource requirements. Computational fluid dynamics (CFD) simulations often entail a large computational burden on classical computers. At present, these simulations can require up to trillions of grid points and millions of time steps. To reduce costs, novel architectures like quantum computers may be intrinsically more efficient for these computations. Current quantum algorithms for solving CFD problems are based on single quantum circuits and, in many cases, use lattice-based methods. Current quantum devices are adorned with sufficient noise to make large and deep circuits untenable. We introduce a multiple-circuit algorithm for a quantum lattice Boltzmann method (QLBM) solve of the incompressible Navier--Stokes equations. The method, called QLBM-frugal, aims to create more practical quantum circuits and strategies for differential equation-based problems. The presented method is validated and demonstrated for 2D lid-driven cavity flow. The two-circuit algorithm shows a marked reduction in CNOT gates, which consume the majority of the runtime on quantum devices. Compared to the baseline QLBM technique, a two-circuit strategy shows increasingly large improvements in gate counts as the qubit size, or problem size, increases. For 64 lattice sites, the CNOT count was reduced by 35%, and the gate depth decreased by 16%. This strategy also enables concurrent circuit execution, further halving the seen gate depth., Comment: 25 pages, 14 figures, 2 tables

The quantum approximate optimization algorithm (QAOA) is one of the most promising candidates for achieving quantum advantage through quantum-enhanced combinatorial optimization. Optimal QAOA parameter concentration effects for special MaxCut problem instances have been observed, but a rigorous study of the subject is still lacking. Due to clustering of optimal QAOA parameters for MaxCut, successful parameter transferability between different MaxCut instances can be explained and predicted based on local properties of the graphs, including the type of subgraphs (lightcones) from which graphs are composed as well as the overall degree of nodes in the graph (parity). In this work, we apply five different graph embedding techniques to determine good donor candidates for parameter transferability, including parameter transferability between different classes of MaxCut instances. Using this technique, we effectively reduce the number of iterations required for parameter optimization, obtaining an approximate solution to the target problem with an order of magnitude speedup. This procedure also effectively removes the problem of encountering barren plateaus during the variational optimization of parameters. Additionally, our findings demonstrate that the transferred parameters maintain effectiveness when subjected to noise, supporting their use in real-world quantum applications. This work presents a framework for identifying classes of combinatorial optimization instances for which optimal donor candidates can be predicted such that QAOA can be substantially accelerated under both ideal and noisy conditions., Comment: 21 pages, 10 figures, 1 table

Computational models are an essential tool for the design, characterization, and discovery of novel materials. Hard computational tasks in materials science stretch the limits of existing high-performance supercomputing centers, consuming much of their simulation, analysis, and data resources. Quantum computing, on the other hand, is an emerging technology with the potential to accelerate many of the computational tasks needed for materials science. In order to do that, the quantum technology must interact with conventional high-performance computing in several ways: approximate results validation, identification of hard problems, and synergies in quantum-centric supercomputing. In this paper, we provide a perspective on how quantum-centric supercomputing can help address critical computational problems in materials science, the challenges to face in order to solve representative use cases, and new suggested directions., Comment: 65 pages, 15 figures; comments welcome

We describe a geometric, stable pair compactification of the moduli space of Enriques surfaces with a numerical polarization of degree 2, and identify it with a semitoroidal compactification of the period space., Comment: v2: Title change, literature update, local improvements. 43 pages, 19 figures

The current era of quantum computing has yielded several algorithms that promise high computational efficiency. While the algorithms are sound in theory and can provide potentially exponential speedup, there is little guidance on how to design proper quantum circuits to realize the appropriate unitary transformation to be applied to the input quantum state. In this paper, we present \texttt{QArchSearch}, an AI based quantum architecture search package with the \texttt{QTensor} library as a backend that provides a principled and automated approach to finding the best model given a task and input quantum state. We show that the search package is able to efficiently scale the search to large quantum circuits and enables the exploration of more complex models for different quantum applications. \texttt{QArchSearch} runs at scale and high efficiency on high-performance computing systems using a two-level parallelization scheme on both CPUs and GPUs, which has been demonstrated on the Polaris supercomputer.

Online dose calculations before radiation treatment have applications in dose delivery verification, plan adaptation, and treatment planning. We propose a novel CBCT imaging pipeline to enhance accuracy. Our approach aims to improve HU accuracy in CBCT images for more precise dose calculations. A quantitative CBCT pipeline was implemented, combining data correction strategies and scatter rejection, achieving high CT number accuracy. We evaluated the pipeline's effect using pelvis anatomy phantoms and found that dosimetric errors in quantitative CBCT-based dose calculations were minimal. In contrast, clinical CBCT and high-performance ASG CBCT-based plans showed significant errors. The proposed quantitative CBCT pipeline offers comparable dose calculation accuracy to the gold-standard planning CT, eliminating the need for density overrides and enabling precise dose delivery monitoring or online plan adaptations in radiation therapy.

We define kappa classes on moduli spaces of KSBA stable varieties and pairs, generalizing the Miller-Morita-Mumford classes on moduli of curves, and compute them in some cases where the virtual fundamental class is known to exist, including Burniat and Campedelli surfaces. For Campedelli surfaces, an intermediate step is finding the Chow (same as cohomology) ring of the GIT quotient $(\mathbb P^2)^7//SL(3)$., Comment: v2: Added references. Comments welcome

In this paper, the Quantum Approximate Optimization Algorithm (QAOA) is analyzed by leveraging symmetries inherent in problem Hamiltonians. We focus on the generalized formulation of optimization problems defined on the sets of $n$-element $d$-ary strings. Our main contribution encompasses dimension reductions for the originally proposed QAOA. These reductions retain the same problem Hamiltonian as the original QAOA but differ in terms of their mixer Hamiltonian, and initial state. The vast QAOA space has a daunting dimension of exponential scaling in $n$, where certain reduced QAOA spaces exhibit dimensions governed by polynomial functions. This phenomenon is illustrated in this paper, by providing partitions corresponding to polynomial dimensions of the corresponding subspaces. As a result, each reduced QAOA partition encapsulates unique classical solutions absent in others, allowing us to establish a lower bound on the number of solutions to the initial optimization problem. Our novel approach opens promising practical advantages in accelerating the algorithm. Restricting the algorithm to Hilbert spaces of smaller dimension may lead to significant acceleration of both quantum and classical simulation of circuits and serve as a tool to cope with barren plateaus problem., Comment: 12 pages

Bandstructure engineering using alloying is widely utilised for achieving optimised performance in modern semiconductor devices. While alloying has been studied in monolayer transition metal dichalcogenides, its application in van der Waals heterostructures built from atomically thin layers is largely unexplored. Here, we fabricate heterobilayers made from monolayers of WSe$_2$ (or MoSe$_2$) and Mo$_x$W$_{1-x}$Se$_2$ alloy and observe nontrivial tuning of the resultant bandstructure as a function of concentration $x$. We monitor this evolution by measuring the energy of photoluminescence (PL) of the interlayer exciton (IX) composed of an electron and hole residing in different monolayers. In Mo$_x$W$_{1-x}$Se$_2$/WSe$_2$, we observe a strong IX energy shift of $\approx$100 meV for $x$ varied from 1 to 0.6. However, for $x<0.6$ this shift saturates and the IX PL energy asymptotically approaches that of the indirect bandgap in bilayer WSe$_2$. We theoretically interpret this observation as the strong variation of the conduction band K valley for $x>0.6$, with IX PL arising from the K-K transition, while for $x<0.6$, the bandstructure hybridization becomes prevalent leading to the dominating momentum-indirect K-Q transition. This bandstructure hybridization is accompanied with strong modification of IX PL dynamics and nonlinear exciton properties. Our work provides foundation for bandstructure engineering in van der Waals heterostructures highlighting the importance of hybridization effects and opening a way to devices with accurately tailored electronic properties., Comment: Supporting Information can be found downloading and extracting the gzipped tar source file listed under "Other formats"

We describe explicitly the geometric compactifications, obtained by adding slc surfaces $X$ with ample canonical class, of moduli spaces of Burniat surfaces of degrees $K^2=5$, $4$ and $3$.

Until high-fidelity quantum computers with a large number of qubits become widely available, classical simulation remains a vital tool for algorithm design, tuning, and validation. We present a simulator for the Quantum Approximate Optimization Algorithm (QAOA). Our simulator is designed with the goal of reducing the computational cost of QAOA parameter optimization and supports both CPU and GPU execution. Our central observation is that the computational cost of both simulating the QAOA state and computing the QAOA objective to be optimized can be reduced by precomputing the diagonal Hamiltonian encoding the problem. We reduce the time for a typical QAOA parameter optimization by eleven times for $n = 26$ qubits compared to a state-of-the-art GPU quantum circuit simulator based on cuQuantum. Our simulator is available on GitHub: https://github.com/jpmorganchase/QOKit, Comment: Additional references added in v2

Quantum information processing has witnessed significant advancements through the application of qubit-based techniques within universal gate sets. Recently, exploration beyond the qubit paradigm to $d$-dimensional quantum units or qudits has opened new avenues for improving computational efficiency. This paper delves into the qudit-based approach, particularly addressing the challenges presented in the high-fidelity implementation of qudit-based circuits due to increased complexity. As an innovative approach towards enhancing qudit circuit fidelity, we explore algebraic relations, such as the Yang-Baxter-like turnover equation, that may enable circuit compression and optimization. The paper introduces the turnover relation for the three-qutrit time propagator and its potential use in reducing circuit depth. We further investigate whether this relation can be generalized for higher-dimensional quantum circuits, including a focused study on the one-dimensional spin-1 Heisenberg model. Our work outlines both rigorous and numerically efficient approaches to potentially achieve this generalization, providing a foundation for further explorations in the field of qudit-based quantum computing.

The time-dependent Hartree-Fock (TDHF) method is an approach to simulate the mean field dynamics of electrons within the assumption that the electrons move independently in their self-consistent average field and within the space of single Slater determinants. One of the major advantages of performing time dynamics within Hartree-Fock theory is the free fermionic nature of the problem, which makes TDHF classically simulatable in polynomial time. Here, we present a hybrid TDHF implementation for quantum computers. This quantum circuit grows with time; but with our recent work on circuit compression via the Yang-Baxter equation (YBE), the resulting circuit is constant depth. This study provides a new way to simulate TDHF with the aid of a quantum device as well as provides a new direction for the application of YBE symmetry in quantum chemistry simulations., Comment: arXiv admin note: text overlap with arXiv:2112.01690

Given their potential to demonstrate near-term quantum advantage, variational quantum algorithms (VQAs) have been extensively studied. Although numerous techniques have been developed for VQA parameter optimization, it remains a significant challenge. A practical issue is that quantum noise is highly unstable and thus it is likely to shift in real time. This presents a critical problem as an optimized VQA ansatz may not perform effectively under a different noise environment. For the first time, we explore how to optimize VQA parameters to be robust against unknown shifted noise. We model the noise level as a random variable with an unknown probability density function (PDF), and we assume that the PDF may shift within an uncertainty set. This assumption guides us to formulate a distributionally robust optimization problem, with the goal of finding parameters that maintain effectiveness under shifted noise. We utilize a distributionally robust Bayesian optimization solver for our proposed formulation. This provides numerical evidence in both the Quantum Approximate Optimization Algorithm (QAOA) and the Variational Quantum Eigensolver (VQE) with hardware-efficient ansatz, indicating that we can identify parameters that perform more robustly under shifted noise. We regard this work as the first step towards improving the reliability of VQAs influenced by shifted noise from the parameter optimization perspective., Comment: 13 pages, 8 figures, accepted by IEEE Trans Quantum Engineering

The quantum approximate optimization algorithm (QAOA) is a leading candidate algorithm for solving optimization problems on quantum computers. However, the potential of QAOA to tackle classically intractable problems remains unclear. Here, we perform an extensive numerical investigation of QAOA on the low autocorrelation binary sequences (LABS) problem, which is classically intractable even for moderately sized instances. We perform noiseless simulations with up to 40 qubits and observe that the runtime of QAOA with fixed parameters scales better than branch-and-bound solvers, which are the state-of-the-art exact solvers for LABS. The combination of QAOA with quantum minimum finding gives the best empirical scaling of any algorithm for the LABS problem. We demonstrate experimental progress in executing QAOA for the LABS problem using an algorithm-specific error detection scheme on Quantinuum trapped-ion processors. Our results provide evidence for the utility of QAOA as an algorithmic component that enables quantum speedups., Comment: Journal-accepted version