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This article derives and validates three principles for initialization and architecture selection in finite width graph neural networks (GNNs) with ReLU activations. First, we theoretically derive what is essentially the unique generalization to ReLU GNNs of the well-known He-initialization. Our initialization scheme guarantees that the average scale of network outputs and gradients remains order one at initialization. Second, we prove in finite width vanilla ReLU GNNs that oversmoothing is unavoidable at large depth when using fixed aggregation operator, regardless of initialization. We then prove that using residual aggregation operators, obtained by interpolating a fixed aggregation operator with the identity, provably alleviates oversmoothing at initialization. Finally, we show that the common practice of using residual connections with a fixup-type initialization provably avoids correlation collapse in final layer features at initialization. Through ablation studies we find that using the correct initialization, residual aggregation operators, and residual connections in the forward pass significantly and reliably speeds up early training dynamics in deep ReLU GNNs on a variety of tasks.

The development of variational quantum algorithms is crucial for the application of NISQ computers. Such algorithms require short quantum circuits, which are more amenable to implementation on near-term hardware, and many such methods have been developed. One of particular interest is the so-called the variational diagonalization method, which constitutes an important algorithmic subroutine, and it can be used directly for working with data encoded in quantum states. In particular, it can be applied to discern the features of quantum states, such as entanglement properties of a system, or in quantum machine learning algorithms. In this work, we tackle the problem of designing a very shallow quantum circuit, required in the quantum state diagonalization task, by utilizing reinforcement learning. To achieve this, we utilize a novel encoding method that can be used to tackle the problem of circuit depth optimization using a reinforcement learning approach. We demonstrate that our approach provides a solid approximation to the diagonalization task while using a small number of gates. The circuits proposed by the reinforcement learning methods are shallower than the standard variational quantum state diagonalization algorithm, and thus can be used in situations where the depth of quantum circuits is limited by the hardware capabilities.

A central challenge in the verification of quantum computers is benchmarking their performance as a whole and demonstrating their computational capabilities. In this work, we find a model of quantum computation, Bell sampling, that can be used for both of those tasks and thus provides an ideal stepping stone towards fault-tolerance. In Bell sampling, we measure two copies of a state prepared by a quantum circuit in the transversal Bell basis. We show that the Bell samples are classically intractable to produce and at the same time constitute what we call a circuit shadow: from the Bell samples we can efficiently extract information about the quantum circuit preparing the state, as well as diagnose circuit errors. In addition to known properties that can be efficiently extracted from Bell samples, we give two new and efficient protocols, a test for the depth of the circuit and an algorithm to estimate a lower bound to the number of T gates in the circuit. With some additional measurements, our algorithm learns a full description of states prepared by circuits with low T-count.

Refactoring is a crucial technique for improving the efficiency and maintainability of software by restructuring its internal design while preserving its external behavior. While classical programs have benefited from various refactoring methods, the field of quantum programming lacks dedicated refactoring techniques. The distinct properties of quantum computing, such as quantum superposition, entanglement, and the no-cloning principle, necessitate specialized refactoring techniques. This paper bridges this gap by presenting a comprehensive set of refactorings specifically designed for quantum programs. Each refactoring is carefully designed and explained to ensure the effective restructuring of quantum programs. Additionally, we highlight the importance of tool support in automating the refactoring process for quantum programs. Although our study focuses on the quantum programming language Q\#, our approach is applicable to other quantum programming languages, offering a general solution for enhancing the maintainability and efficiency of quantum software.

Reading a qubit is a fundamental operation in quantum computing. It translates quantum information into classical information enabling subsequent classification to assign the qubit states `0' or `1'. Unfortunately, qubit readout is one of the most error-prone and slowest operations on a superconducting quantum processor. On state-of-the-art superconducting quantum processors, readout errors can range from 1-10%. High readout accuracy is essential for enabling high fidelity for near-term noisy quantum computers and error-corrected quantum computers of the future. Prior works have used machine-learning-assisted single-shot qubit-state classification, where a deep neural network was used for more robust discrimination by compensating for crosstalk errors. However, the neural network size can limit the scalability of systems, especially if fast hardware discrimination is required. This state-of-the-art baseline design cannot be implemented on off-the-shelf FPGAs used for the control and readout of superconducting qubits in most systems, which increases the overall readout latency as discrimination has to be performed in software. In this work, we propose HERQULES, a scalable approach to improve qubit-state discrimination by using a hierarchy of matched filters in conjunction with a significantly smaller and scalable neural network for qubit-state discrimination. We achieve substantially higher readout accuracies (16.4% relative improvement) than the baseline with a scalable design that can be readily implemented on off-the-shelf FPGAs. We also show that HERQULES is more versatile and can support shorter readout durations than the baseline design without additional training overheads.

We construct a quantum oracle relative to which $\mathsf{BQP} = \mathsf{QMA}$ but cryptographic pseudorandom quantum states and pseudorandom unitary transformations exist, a counterintuitive result in light of the fact that pseudorandom states can be "broken" by quantum Merlin-Arthur adversaries. We explain how this nuance arises as the result of a distinction between algorithms that operate on quantum and classical inputs. On the other hand, we show that some computational complexity assumption is needed to construct pseudorandom states, by proving that pseudorandom states do not exist if $\mathsf{BQP} = \mathsf{PP}$. We discuss implications of these results for cryptography, complexity theory, and quantum tomography.

The quantum separability problem consists in deciding whether a bipartite density matrix is entangled or separable. In this work, we propose a machine learning pipeline for finding approximate solutions for this NP-hard problem in large-scale scenarios. We provide an efficient Frank-Wolfe-based algorithm to approximately seek the nearest separable density matrix and derive a systematic way for labeling density matrices as separable or entangled, allowing us to treat quantum separability as a classification problem. Our method is applicable to any two-qudit mixed states. Numerical experiments with quantum states of 3- and 7-dimensional qudits validate the efficiency of the proposed procedure, and demonstrate that it scales up to thousands of density matrices with a high quantum entanglement detection accuracy. This takes a step towards benchmarking quantum separability to support the development of more powerful entanglement detection techniques.

The reconstruction of quantum states from experimental measurements, often achieved using quantum state tomography (QST), is crucial for the verification and benchmarking of quantum devices. However, performing QST for a generic unstructured quantum state requires an enormous number of state copies that grows \emph{exponentially} with the number of individual quanta in the system, even for the most optimal measurement settings. Fortunately, many physical quantum states, such as states generated by noisy, intermediate-scale quantum computers, are usually structured. In one dimension, such states are expected to be well approximated by matrix product operators (MPOs) with a finite matrix/bond dimension independent of the number of qubits, therefore enabling efficient state representation. Nevertheless, it is still unclear whether efficient QST can be performed for these states in general. In this paper, we attempt to bridge this gap and establish theoretical guarantees for the stable recovery of MPOs using tools from compressive sensing and the theory of empirical processes. We begin by studying two types of random measurement settings: Gaussian measurements and Haar random rank-one Positive Operator Valued Measures (POVMs). We show that the information contained in an MPO with a finite bond dimension can be preserved using a number of random measurements that depends only \emph{linearly} on the number of qubits, assuming no statistical error of the measurements. We then study MPO-based QST with physical quantum measurements through Haar random rank-one POVMs that can be implemented on quantum computers. We prove that only a \emph{polynomial} number of state copies in the number of qubits is required to guarantee bounded recovery error of an MPO state.

We present a monocular Simultaneous Localization and Mapping (SLAM) using high level object and plane landmarks, in addition to points. The resulting map is denser, more compact and meaningful compared to point only SLAM. We first propose a high order graphical model to jointly infer the 3D object and layout planes from single image considering occlusions and semantic constraints. The extracted cuboid object and layout planes are further optimized in a unified SLAM framework. Objects and planes can provide more semantic constraints such as Manhattan and object supporting relationships compared to points. Experiments on various public and collected datasets including ICL NUIM and TUM mono show that our algorithm can improve camera localization accuracy compared to state-of-the-art SLAM and also generate dense maps in many structured environments.

Training a deep architecture using a ranking loss has become standard for the person re-identification task. Increasingly, these deep architectures include additional components that leverage part detections, attribute predictions, pose estimators and other auxiliary information, in order to more effectively localize and align discriminative image regions. In this paper we adopt a different approach and carefully design each component of a simple deep architecture and, critically, the strategy for training it effectively for person re-identification. We extensively evaluate each design choice, leading to a list of good practices for person re-identification. By following these practices, our approach outperforms the state of the art, including more complex methods with auxiliary components, by large margins on four benchmark datasets. We also provide a qualitative analysis of our trained representation which indicates that, while compact, it is able to capture information from localized and discriminative regions, in a manner akin to an implicit attention mechanism.