Quantum neural networks (QNNs) use parameterized quantum circuits with data-dependent inputs and generate outputs through the evaluation of expectation values. Calculating these expectation values necessitates repeated circuit evaluations, thus introducing fundamental finite-sampling noise even on error-free quantum computers. We reduce this noise by introducing the variance regularization, a technique for reducing the variance of the expectation value during the quantum model training. This technique requires no additional circuit evaluations if the QNN is properly constructed. Our empirical findings demonstrate the reduced variance speeds up the training and lowers the output noise as well as decreases the number of measurements in the gradient circuit evaluation. This regularization method is benchmarked on the regression of multiple functions. We show that in our examples, it lowers the variance by an order of magnitude on average and leads to a significantly reduced noise level of the QNN. We finally demonstrate QNN training on a real quantum device and evaluate the impact of error mitigation. Here, the optimization is practical only due to the reduced number shots in the gradient evaluation resulting from the reduced variance.
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Covariate shift may impact the operational safety performance of neural networks. A re-evaluation of the safety performance, however, requires collecting new operational data and creating corresponding ground truth labels, which often is not possible during operation. We are therefore proposing to reshape the initial test set, as used for the safety performance evaluation prior to deployment, based on an approximation of the operational data. This approximation is obtained by observing and learning the distribution of activation patterns of neurons in the network during operation. The reshaped test set reflects the distribution of neuron activation values as observed during operation, and may therefore be used for re-evaluating safety performance in the presence of covariate shift. First, we derive conservative bounds on the values of neurons by applying finite binning and static dataflow analysis. Second, we formulate a mixed integer linear programming (MILP) constraint for constructing the minimum set of data points to be removed in the test set, such that the difference between the discretized test and operational distributions is bounded. We discuss potential benefits and limitations of this constraint-based approach based on our initial experience with an implemented research prototype.
Graph Neural Networks (GNNs) have achieved notable success in learning from graph-structured data, owing to their ability to capture intricate dependencies and relationships between nodes. They excel in various applications, including semi-supervised node classification, link prediction, and graph generation. However, it is important to acknowledge that the majority of state-of-the-art GNN models are built upon the assumption of an in-distribution setting, which hinders their performance on real-world graphs with dynamic structures. In this article, we aim to assess the impact of training GNNs on localized subsets of the graph. Such restricted training data may lead to a model that performs well in the specific region it was trained on but fails to generalize and make accurate predictions for the entire graph. In the context of graph-based semi-supervised learning (SSL), resource constraints often lead to scenarios where the dataset is large, but only a portion of it can be labeled, affecting the model's performance. This limitation affects tasks like anomaly detection or spam detection when labeling processes are biased or influenced by human subjectivity. To tackle the challenges posed by localized training data, we approach the problem as an out-of-distribution (OOD) data issue by by aligning the distributions between the training data, which represents a small portion of labeled data, and the graph inference process that involves making predictions for the entire graph. We propose a regularization method to minimize distributional discrepancies between localized training data and graph inference, improving model performance on OOD data. Extensive tests on popular GNN models show significant performance improvement on three citation GNN benchmark datasets. The regularization approach effectively enhances model adaptation and generalization, overcoming challenges posed by OOD data.
The new variant of measurement-device-independent quantum key distribution (MDI-QKD), called asynchronous MDI-QKD or mode-pairing MDI-QKD, offers similar repeater-like rate-loss scaling but has the advantage of simple technology implementation by exploiting an innovative post-measurement pairing technique. We herein present an evaluation of the practical aspects of decoy-state asynchronous MDI-QKD. To determine its effectiveness, we analyze the optimal method of decoy-state calculation and examine the impact of asymmetrical channels and multi-user networks. Our simulations show that, under realistic conditions, aynchronous MDI-QKD can furnish the highest key rate with MDI security as compared to other QKD protocols over distances ranging from 50 km to 480 km. At fiber distances of 50 km and 100 km, the key rates attain 6.02 Mbps and 2.29 Mbps respectively, which are sufficient to facilitate real-time one-time-pad video encryption. Our findings indicate that experimental implementation of asynchronous MDI-QKD in intercity networks can be both practical and efficient.
Many approaches to grasp synthesis optimize analytic quality metrics that measure grasp robustness based on finger placements and local surface geometry. However, generating feasible dexterous grasps by optimizing these metrics is slow, often taking minutes. To address this issue, this paper presents FRoGGeR: a method that quickly generates robust precision grasps using the min-weight metric, a novel, almost-everywhere differentiable approximation of the classical epsilon grasp metric. The min-weight metric is simple and interpretable, provides a reasonable measure of grasp robustness, and admits numerically efficient gradients for smooth optimization. We leverage these properties to rapidly synthesize collision-free robust grasps - typically in less than a second. FRoGGeR can refine the candidate grasps generated by other methods (heuristic, data-driven, etc.) and is compatible with many object representations (SDFs, meshes, etc.). We study FRoGGeR's performance on over 40 objects drawn from the YCB dataset, outperforming a competitive baseline in computation time, feasibility rate of grasp synthesis, and picking success in simulation. We conclude that FRoGGeR is fast: it has a median synthesis time of 0.834s over hundreds of experiments.
This paper addresses the problem of solving nonlinear systems in the context of symmetric quantum signal processing (QSP), a powerful technique for implementing matrix functions on quantum computers. Symmetric QSP focuses on representing target polynomials as products of matrices in SU(2) that possess symmetry properties. We present a novel Newton's method tailored for efficiently solving the nonlinear system involved in determining the phase factors within the symmetric QSP framework. Our method demonstrates rapid and robust convergence in all parameter regimes, including the challenging scenario with ill-conditioned Jacobian matrices, using standard double precision arithmetic operations. For instance, solving symmetric QSP for a highly oscillatory target function $\alpha \cos(1000 x)$ (polynomial degree $\approx 1433$) takes $6$ iterations to converge to machine precision when $\alpha=0.9$, and the number of iterations only increases to $18$ iterations when $\alpha=1-10^{-9}$ with a highly ill-conditioned Jacobian matrix. Leveraging the matrix product states the structure of symmetric QSP, the computation of the Jacobian matrix incurs a computational cost comparable to a single function evaluation. Moreover, we introduce a reformulation of symmetric QSP using real-number arithmetics, further enhancing the method's efficiency. Extensive numerical tests validate the effectiveness and robustness of our approach, which has been implemented in the QSPPACK software package.
Entanglement represents ``\textit{the}'' key resource for several applications of quantum information processing, ranging from quantum communications to distributed quantum computing. Despite its fundamental importance, deterministic generation of maximally entangled qubits represents an on-going open problem. Here, we design a novel generation scheme exhibiting two attractive features, namely, i) deterministically generating different classes -- namely, GHZ-like, W-like and graph states -- of genuinely multipartite entangled states, ii) without requiring any direct interaction between the qubits. Indeed, the only necessary condition is the possibility of coherently controlling -- according to the indefinite causal order framework -- the causal order among the unitaries acting on the qubits. Through the paper, we analyze and derive the conditions on the unitaries for deterministic generation, and we provide examples for unitaries practical implementation. We conclude the paper by discussing the scalability of the proposed scheme to higher dimensional genuine multipartite entanglement (GME) states and by introducing some possible applications of the proposal for quantum networks.
When computing the gradients of a quantum neural network using the parameter-shift rule, the cost function needs to be calculated twice for the gradient with respect to a single adjustable parameter of the network. When the total number of parameters is high, the quantum circuit for the computation has to be adjusted and run for many times. Here we propose an approach to compute all the gradients using a single circuit only, with a much reduced circuit depth and less classical registers. We also demonstrate experimentally, on both real quantum hardware and simulator, that our approach has the advantages that the circuit takes a significantly shorter time to compile than the conventional approach, resulting in a speedup on the total runtime.
In this work we introduce $\nu^2$-Flows, an extension of the $\nu$-Flows method to final states containing multiple neutrinos. The architecture can natively scale for all combinations of object types and multiplicities in the final state for any desired neutrino multiplicities. In $t\bar{t}$ dilepton events, the momenta of both neutrinos and correlations between them are reconstructed more accurately than when using the most popular standard analytical techniques, and solutions are found for all events. Inference time is significantly faster than competing methods, and can be reduced further by evaluating in parallel on graphics processing units. We apply $\nu^2$-Flows to $t\bar{t}$ dilepton events and show that the per-bin uncertainties in unfolded distributions is much closer to the limit of performance set by perfect neutrino reconstruction than standard techniques. For the chosen double differential observables $\nu^2$-Flows results in improved statistical precision for each bin by a factor of 1.5 to 2 in comparison to the Neutrino Weighting method and up to a factor of four in comparison to the Ellipse approach.
This paper is devoted to the statistical and numerical properties of the geometric median, and its applications to the problem of robust mean estimation via the median of means principle. Our main theoretical results include (a) an upper bound for the distance between the mean and the median for general absolutely continuous distributions in R^d, and examples of specific classes of distributions for which these bounds do not depend on the ambient dimension d; (b) exponential deviation inequalities for the distance between the sample and the population versions of the geometric median, which again depend only on the trace-type quantities and not on the ambient dimension. As a corollary, we deduce improved bounds for the (geometric) median of means estimator that hold for large classes of heavy-tailed distributions. Finally, we address the error of numerical approximation, which is an important practical aspect of any statistical estimation procedure. We demonstrate that the objective function minimized by the geometric median satisfies a "local quadratic growth" condition that allows one to translate suboptimality bounds for the objective function to the corresponding bounds for the numerical approximation to the median itself, and propose a simple stopping rule applicable to any optimization method which yields explicit error guarantees. We conclude with the numerical experiments including the application to estimation of mean values of log-returns for S&P 500 data.
The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.
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