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We explore a non-variational quantum state preparation approach combined with the ADAPT operator selection strategy in the application of preparing the ground state of a desired target Hamiltonian. In this algorithm, energy gradient measurements determine both the operators and the gate parameters in the quantum circuit construction. We compare this non-variational algorithm with ADAPT-VQE and with feedback-based quantum algorithms in terms of the rate of energy reduction, the circuit depth, and the measurement cost in molecular simulation. We find that despite using deeper circuits, this new algorithm reaches chemical accuracy at a similar measurement cost to ADAPT-VQE. Since it does not rely on a classical optimization subroutine, it may provide robustness against circuit parameter errors due to imperfect control or gate synthesis., Comment: 13 pages, 8 figures. Comments are welcome

The ADAPT-VQE algorithm is a promising method for generating a compact ansatz based on derivatives of the underlying cost function, and it yields accurate predictions of electronic energies for molecules. In this work we report the implementation and performance of ADAPT-VQE with our recently developed sparse wavefunction circuit solver (SWCS) in terms of accuracy and efficiency for molecular systems with up to 52 spin-orbitals. The SWCS can be tuned to balance computational cost and accuracy, which extends the application of ADAPT-VQE for molecular electronic structure calculations to larger basis sets and larger number of qubits. Using this tunable feature of the SWCS, we propose an alternative optimization procedure for ADAPT-VQE to reduce the computational cost of the optimization. By pre-optimizing a quantum simulation with a parameterized ansatz generated with ADAPT-VQE/SWCS, we aim to utilize the power of classical high-performance computing in order to minimize the work required on noisy intermediate-scale quantum hardware, which offers a promising path toward demonstrating quantum advantage for chemical applications., Comment: 12 pages, 6 figures

In response to numerous programs seeking to advance quantum education and workforce development in the United States, experts from academia, industry, government, and professional societies convened for a National Science Foundation-sponsored workshop in February 2024 to explore the benefits and challenges of establishing a national center for quantum education. Broadly, such a center would foster collaboration and build the infrastructure required to develop a diverse and quantum-ready workforce. The workshop discussions centered around how a center could uniquely address gaps in public, K-12, and undergraduate quantum information science and engineering (QISE) education. Specifically, the community identified activities that, through a center, could lead to an increase in student awareness of quantum careers, boost the number of educators trained in quantum-related subjects, strengthen pathways into quantum careers, enhance the understanding of the U.S. quantum workforce, and elevate public engagement with QISE. Core proposed activities for the center include professional development for educators, coordinated curriculum development and curation, expanded access to educational laboratory equipment, robust evaluation and assessment practices, network building, and enhanced public engagement with quantum science.

In this paper, we address the challenge of heterogeneous data distributions in cross-silo federated learning by introducing a novel algorithm, which we term Cross-silo Robust Clustered Federated Learning (CS-RCFL). Our approach leverages the Wasserstein distance to construct ambiguity sets around each client's empirical distribution that capture possible distribution shifts in the local data, enabling evaluation of worst-case model performance. We then propose a model-agnostic integer fractional program to determine the optimal distributionally robust clustering of clients into coalitions so that possible biases in the local models caused by statistically heterogeneous client datasets are avoided, and analyze our method for linear and logistic regression models. Finally, we discuss a federated learning protocol that ensures the privacy of client distributions, a critical consideration, for instance, when clients are healthcare institutions. We evaluate our algorithm on synthetic and real-world healthcare data., Comment: 8 pages, 3 figures, Accepted to IEEE CDC 2024

Network science has presented community detection as a valuable tool for revealing the functional modules in complex systems as rooted in the wiring architectures of complex networks. The varying procedures of community detection can produce, however, divisions of a network into communities that are prone to degeneracy given small changes to the network's configuration. This yields network partitions of similar merit that are structurally dissimilar, which is especially problematic when the network is constructed on uncertain data. To reconcile with the ambiguity in interpreting degenerate network partitions as representations of underlying system function, we introduce a recursive significance clustering scheme that identifies the subsets of nodes that have stable joint community assignments under network perturbation. These robust node groups are referred to here as cores, and represent well-supported features of the network. We show that cores characterize the variability inherent to non-overlapping community structure in weighted and directed networks and indicate robust community assignments that are cohesive under temporal evolution of the network.

Inspired by recent advancements of simulating periodic systems on quantum computers, we develop a new approach, (SC)$^2$-ADAPT-VQE, to further advance the simulation of these systems. Our approach extends the scalable circuits ADAPT-VQE framework, which builds an ansatz from a pool of coordinate-invariant operators defined for arbitrarily large, though not arbitrarily small, volumes. Our method uses a classically tractable ``Surrogate Constructed'' method to remove irrelevant operators from the pool, reducing the minimum size for which the scalable circuits are defined. Bringing together the scalable circuits and the surrogate constructed approaches forms the core of the (SC)$^2$ methodology. Our approach allows for a wider set of classical computations, on small volumes, which can be used for a more robust extrapolation protocol. While developed in the context of lattice models, the surrogate construction portion is applicable to a wide variety of problems where information about the relative importance of operators in the pool is available. As an example, we use it to compute properties of the Schwinger model - quantum electrodynamics for a single, massive fermion in $1+1$ dimensions - and show that our method can be used to accurately extrapolate to the continuum limit., Comment: 9 pages, 6 figures

Studying and controlling quantum many-body interactions is fundamentally important for quantum science and related emerging technologies. Optically addressable solid-state spins offer a promising platform for exploring various quantum many-body phenomena due to their scalability to a large Hilbert space. However, it is often challenging to probe many-body dynamics in solid-state spin systems due to large on-site disorder and undesired coupling to the environment. Here, we investigate an optically addressable solid-state spin system comprising a strongly interacting ensemble of millions of ytterbium-171 ions in a crystal. Notably, this platform features a clock transition that gives rise to pure long-range spin-exchange interactions, termed the dipolar XY model. Leveraging this unique feature, we investigate quantum thermalization by varying the relative ratio of interaction strength to disorder, dynamically engineering the XY model into other many-body Hamiltonian models, and realizing a time-crystalline phase of matter through periodic driving. Our findings indicate that an ensemble of rare-earth ions serves as a versatile testbed for many-body physics and offers valuable insights for advancing quantum technologies.

We propose a generative quantum learning algorithm, R\'enyi-ADAPT, using the Adaptive Derivative-Assembled Problem Tailored ansatz (ADAPT) framework in which the loss function to be minimized is the maximal quantum R\'enyi divergence of order two, an unbounded function that mitigates barren plateaus which inhibit training variational circuits. We benchmark this method against other state-of-the-art adaptive algorithms by learning random two-local thermal states. We perform numerical experiments on systems of up to 12 qubits, comparing our method to learning algorithms that use linear objective functions, and show that R\'enyi-ADAPT is capable of constructing shallow quantum circuits competitive with existing methods, while the gradients remain favorable resulting from the maximal R\'enyi divergence loss function.

Photonic graph states are important for measurement- and fusion-based quantum computing, quantum networks, and sensing. They can in principle be generated deterministically by using emitters to create the requisite entanglement. Finding ways to minimize the number of entangling gates between emitters and understanding the overall optimization complexity of such protocols is crucial for practical implementations. Here, we address these issues using graph theory concepts. We develop optimizers that minimize the number of entangling gates, reducing them by up to 75$\%$ compared to naive schemes for moderately sized random graphs. While the complexity of optimizing emitter-emitter CNOT counts is likely NP-hard, we are able to develop heuristics based on strong connections between graph transformations and the optimization of stabilizer circuits. These patterns allow us to process large graphs and still achieve a reduction of up to $66\%$ in emitter CNOTs, without relying on subtle metrics such as edge density. We find the optimal emission orderings and circuits to prepare unencoded and encoded repeater graph states of any size, achieving global minimization of emitter and CNOT resources despite the average NP-hardness of both optimization problems. We further study the locally equivalent orbit of graphs. Although enumerating orbits is $\#$P complete for arbitrary graphs, we analytically calculate the size of the orbit of repeater graphs and find a procedure to generate the orbit for any repeater size. Finally, we inspect the entangling gate cost of preparing any graph from a given orbit and show that we can achieve the same optimal CNOT count across the orbit., Comment: 41 pages, 29 figures

We present a statistical modelling framework for implementing Distributed Lag Models (DLMs), encompassing several extensions of the approach to capture the temporally distributed effect from covariates via regression. We place DLMs in the context of penalised Generalized Additive Models (GAMs) and illustrate that implementation via the R package \texttt{mgcv}, which allows for flexible and interpretable inference in addition to thorough model assessment. We show how the interpretation of penalised splines as random quantities enables approximate Bayesian inference and hierarchical structures in the same practical setting. We focus on epidemiological studies and demonstrate the approach with application to mortality data from Cyprus and Greece. For the Cyprus case study, we investigate for the first time, the joint lagged effects from both temperature and humidity on mortality risk with the unexpected result that humidity severely increases risk during cold rather than hot conditions. Another novel application is the use of the proposed framework for hierarchical pooling, to estimate district-specific covariate-lag risk on morality and the use of posterior simulation to compare risk across districts., Comment: Submitted for review in "Statistics in Medicine" on 4/January/ 2024

In the framework of non-Hermitian photonics, we investigate the interplay between disorder and non-Hermiticity in a one-dimensional Hatano-Nelson lattice. While Anderson localization dictates the wave's evolution in conservative random systems, the introduction of non-Hermiticity tends to force the beam to unidirectionally propagate towards one edge of the potential due to the existence of skin modes. As we show, the antagonism between these effects results in qualitatively distinct phases of wave diffraction, including counter-intuitive characteristics regarding the relationship between the strength of disorder and the wavepacket's velocity., Comment: 10 pages, 11 figures

Adaptive variational quantum algorithms arguably offer the best prospects for quantum advantage in the NISQ era. Since the inception of the first such algorithm, ADAPT-VQE, many improvements have appeared in the literature. We combine the key improvements along with a novel operator pool -- which we term Coupled Exchange Operator (CEO) pool -- to assess the cost of running state-of-the-art ADAPT-VQE on hardware in terms of measurement counts and circuit depth. We show a dramatic reduction of these quantum resources compared to the early versions of the algorithm. We also find that our state-of-the-art CEO-ADAPT-VQE outperforms UCCSD, the most widely regarded static VQE ansatz, in all relevant metrics.

Standing as one of the most significant barriers to reaching quantum advantage, state-preparation fidelities on noisy intermediate-scale quantum processors suffer from quantum-gate errors, which accumulate over time. A potential remedy is pulse-based state preparation. We numerically investigate the minimal evolution times (METs) attainable by optimizing (microwave and exchange) pulses on silicon hardware. We investigate two state preparation tasks. First, we consider the preparation of molecular ground states and find the METs for H$_2$, HeH$^+$, and LiH to be 2.4 ns, 4.4 ns, and 27.2 ns, respectively. Second, we consider transitions between arbitrary states and find the METs for transitions between arbitrary four-qubit states to be below 50 ns. For comparison, connecting arbitrary two-qubit states via one- and two-qubit gates on the same silicon processor requires approximately 200 ns. This comparison indicates that pulse-based state preparation is likely to utilize the coherence times of silicon hardware more efficiently than gate-based state preparation. Finally, we quantify the effect of silicon device parameters on the MET. We show that increasing the maximal exchange amplitude from 10 MHz to 1 GHz accelerates the METs, e.g., for H$_2$ from 84.3 ns to 2.4 ns. This demonstrates the importance of fast exchange. We also show that increasing the maximal amplitude of the microwave drive from 884 kHz to 56.6 MHz shortens state transitions, e.g., for two-qubit states from 1000 ns to 25 ns. Our results bound both the state-preparation times for general quantum algorithms and the execution times of variational quantum algorithms with silicon spin qubits., Comment: 9 + (7) pages, 6 figs, comments are welcomed

In conventional variational quantum eigensolvers (VQEs), trial states are prepared by applying series of parameterized gates to a reference state, with the gate parameters being varied to minimize the energy of the target system. Recognizing that the gates are intermediates which are ultimately compiled into a set of control pulses to be applied to each qubit in the lab, the recently proposed ctrl-VQE algorithm takes the amplitudes, frequencies, and phases of the pulse as the variational parameters used to minimize the molecular energy. In this work, we explore how all three degrees of freedom interrelate with one another. To this end, we consider several distinct strategies to parameterize the control pulses, assessing each one through numerical simulations of a transmon-like device. For each parameterization, we contrast the pulse duration required to prepare a good ansatz, and the difficulty to optimize that ansatz from a well-defined initial state. We deduce several guiding heuristics to implement practical ctrl-VQE in hardware, which we anticipate will generalize for generic device architectures., Comment: 13 pages (10 of main text), 6 figures

Quantum memories play a key role in facilitating tasks within quantum networks and quantum information processing, including secure communications, advanced quantum sensing, and distributed quantum computing. Progress in characterizing large nuclear spin registers coupled to defect electronic spins has been significant, but selecting memory qubits remains challenging due to the multitude of possible assignments. Numerical simulations for evaluating entangling gate fidelities encounter obstacles, restricting research to small registers, while experimental investigations are time-consuming and often limited to well-understood samples. Here we present an efficient methodology for systematically assessing the controllability of defect systems coupled to nuclear spin registers. We showcase the approach by investigating the generation of entanglement links between defects in SiC and randomly selected sets of nuclear spins within the two-species ($^{13}$C and $^{29}$Si) nuclear register. We quantify the performance of entangling gate operations and present the achievable gate fidelities, considering both the size of the register and the presence of unwanted nuclear spins. We find that some control sequences perform better than others depending on the number of target versus bath nuclei. This efficient approach is a guide for both experimental investigation and engineering, facilitating the high-throughput exploration of suitable defect systems for quantum memories., Comment: 15 pages, 7 figures

We demonstrate a simple, low-cost and ultracompact chiral resonant metasurface design, which, by strong local coupling to a quantum gain medium (quantum emitters), allows to implement an ultra-thin metasurface laser, capable of generating tunable circularly polarized coherent lasing output. According to our detailed numerical investigations the lasing emission can be transformed from linear to circular and switch from right- to left-handed circularly polarized (CP) not only by changing the metasurface chiral response but also by changing the polarization of a linearly polarized pump wave, providing thus dynamic lasing-polarization control. Given the increasing interest for CP laser emission, our chiral metasurface laser design proves to be a versatile yet straightforward strategy to generate strong and tailored CP emission laser, promising great potential for future applications in both photonics and materials science., Comment: 7 pages, 6 figures

Adaptive protocols enable the construction of more efficient state preparation circuits in variational quantum algorithms (VQAs) by utilizing data obtained from the quantum processor during the execution of the algorithm. This idea originated with ADAPT-VQE, an algorithm that iteratively grows the state preparation circuit operator by operator, with each new operator accompanied by a new variational parameter, and where all parameters acquired thus far are optimized in each iteration. In ADAPT-VQE and other adaptive VQAs that followed it, it has been shown that initializing parameters to their optimal values from the previous iteration speeds up convergence and avoids shallow local traps in the parameter landscape. However, no other data from the optimization performed at one iteration is carried over to the next. In this work, we propose an improved quasi-Newton optimization protocol specifically tailored to adaptive VQAs. The distinctive feature in our proposal is that approximate second derivatives of the cost function are recycled across iterations in addition to parameter values. We implement a quasi-Newton optimizer where an approximation to the inverse Hessian matrix is continuously built and grown across the iterations of an adaptive VQA. The resulting algorithm has the flavor of a continuous optimization where the dimension of the search space is augmented when the gradient norm falls below a given threshold. We show that this inter-optimization exchange of second-order information leads the Hessian in the state of the optimizer to better approximate the exact Hessian. As a result, our method achieves a superlinear convergence rate even in situations where the typical quasi-Newton optimizer converges only linearly. Our protocol decreases the measurement costs in implementing adaptive VQAs on quantum hardware as well as the runtime of their classical simulation.

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

The astronomical community is grappling with the increasing volume and complexity of data produced by modern telescopes, due to difficulties in reducing, accessing, analyzing, and combining archives of data. To address this challenge, we propose the establishment of a coordinating body, an "entity," with the specific mission of enhancing the interoperability, archiving, distribution, and production of both astronomical data and software. This report is the culmination of a workshop held in February 2023 on the Future of Astronomical Data Infrastructure. Attended by 70 scientists and software professionals from ground-based and space-based missions and archives spanning the entire spectrum of astronomical research, the group deliberated on the prevailing state of software and data infrastructure in astronomy, identified pressing issues, and explored potential solutions. In this report, we describe the ecosystem of astronomical data, its existing flaws, and the many gaps, duplication, inconsistencies, barriers to access, drags on productivity, missed opportunities, and risks to the long-term integrity of essential data sets. We also highlight the successes and failures in a set of deep dives into several different illustrative components of the ecosystem, included as an appendix., Comment: 59 pages; please send comments and/or questions to foadi@googlegroups.com

Quantum computing may provide advantage in solving classical optimization problems. One promising algorithm is the quantum approximate optimization algorithm (QAOA). There have been many proposals for improving this algorithm, such as using an initial state informed by classical approximation solutions. A variation of QAOA called ADAPT-QAOA constructs the ansatz dynamically and can speed up convergence. However, it faces the challenge of frequently converging to excited states which correspond to local minima in the energy landscape, limiting its performance. In this work, we propose to start ADAPT-QAOA with an initial state inspired by a classical approximation algorithm. Through numerical simulations we show that this new algorithm can reach the same accuracy with fewer layers than the standard QAOA and the original ADAPT-QAOA. It also appears to be less prone to the problem of converging to excited states., Comment: 9 pages, 8 figures. Comments are welcome

This report presents a multi-case qualitative research study on how to support teacher professional learning and development of their digital competence, through a self-reflection process using SELFIEforTEACHERS (SfT). The study investigated how SfT can be used in different settings and what factors, enablers and barriers affect its effective implementation. Moreover, it investigated how self-reflection using SfT can support teachers' agency and efficacy for their professional development in using digital technologies in teaching and learning. The report presents the theoretical assumptions that guided the research and discusses the main pertinent findings across the cases, based on the evidence amassed for the individual case studies. Findings are reported from 13 individual case studies conducted in six European Union Member States and are based on thematic analyses using an explanatory case study approach. Main findings indicate that SfT embedded in professional development activities can support teachers in developing digital competence, while at the same time collected aggregated data can support professional development planning. The report concludes with recommendations for teachers, school leaders, teacher trainers and educators, and policymakers.

Photonic parity projection plays a significant role in photonic quantum information processing. Non-destructive parity projections normally require high-fidelity Controlled-Z gates between photonic and matter qubits, which can be experimentally demanding. In this paper, we propose a nearly deterministic parity projection protocol on two photonic qubits which only requires stable matter-photon Controlled-Phase gates. The fact that our protocol does not require perfect Controlled-Z gates makes it more amenable to experimental implementation., Comment: 12+6 pages, 11 figures

This paper introduces a novel approach to leverage the knowledge of existing expert models for training new Convolutional Neural Networks, on domains where task-specific data are limited or unavailable. The presented scheme is applied in offline handwritten signature verification (OffSV) which, akin to other biometric applications, suffers from inherent data limitations due to regulatory restrictions. The proposed Student-Teacher (S-T) configuration utilizes feature-based knowledge distillation (FKD), combining graph-based similarity for local activations with global similarity measures to supervise student's training, using only handwritten text data. Remarkably, the models trained using this technique exhibit comparable, if not superior, performance to the teacher model across three popular signature datasets. More importantly, these results are attained without employing any signatures during the feature extraction training process. This study demonstrates the efficacy of leveraging existing expert models to overcome data scarcity challenges in OffSV and potentially other related domains.

Superconducting microwave resonator couplers will likely become an essential component in modular semiconductor quantum dot (QD) spin qubit processors, as they help alleviate cross-talk and wiring issues as the number of qubits increases. Here, we focus on a three-qubit system composed of two modules: a two-electron triple QD resonator-coupled to a single-electron double QD. Using a combination of analytical techniques and numerical results, we derive an effective Hamiltonian that describes the three-qubit logical subspace and show that it accurately captures the dynamics of the system. We examine the performance of short-range and long-range entangling gates, revealing the effect of a spectator qubit in reducing the gate fidelities in both cases. We further study the competition between non-adiabatic errors and spectator-associated errors in short-range operations and quantify their relative importance across practical parameter ranges for short and long gate times. We also analyze the impact of charge noise together with residual coupling to the spectator qubit on inter-module entangling gates and find that for current experimental settings, leakage errors are the main source of infidelities in these operations. Our results help pave the way toward identifying optimal modular QD architectures for quantum information processing on semiconductor chips., Comment: 18 pages, 5 figures

ADAPT-VQE is one of the leading VQE algorithms which circumvents the choice-of-ansatz conundrum by iteratively growing compact and arbitrarily accurate problem-tailored ans\"atze. However, for hardware-efficient operator pools, the gradient-measurement step of the algorithm requires the estimation of $O(N^8)$ observables, which may represent a bottleneck for relevant system sizes on real devices. We present an efficient strategy for measuring the pool gradients based on simultaneously measuring commuting observables. We argue that our approach is relatively robust to shot-noise effects, and show that measuring the pool gradients is in fact only $O(N)$ times as expensive as a naive VQE iteration. Our proposed measurement strategy significantly ameliorates the measurement overhead of ADAPT-VQE and brings us one step closer to practical implementations on real devices., Comment: 8 pages, 2 figures