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We introduce a family of pairwise stochastic gradient estimators for gradients of expectations, which are related to the log-derivative trick, but involve pairwise interactions between samples. The simplest example of our new estimator, dubbed the fundamental trick estimator, is shown to arise from either a) introducing and approximating an integral representation based on the fundamental theorem of calculus, or b) applying the reparameterisation trick to an implicit parameterisation under infinitesimal perturbation of the parameters. From the former perspective we generalise to a reproducing kernel Hilbert space representation, giving rise to a locality parameter in the pairwise interactions mentioned above, yielding our representer trick estimator. The resulting estimators are unbiased and shown to offer an independent component of useful information in comparison with the log-derivative estimator. We provide a further novel theoretical analysis which further characterises the variance reduction afforded by the new techniques. Promising analytical and numerical examples confirm the theory and intuitions behind the new estimators.

Generating a test suite for a quantum program such that it has the maximum number of failing tests is an optimization problem. For such optimization, search-based testing has shown promising results in the context of classical programs. To this end, we present a test generation tool for quantum programs based on a genetic algorithm, called QuSBT (Search-based Testing of Quantum Programs). QuSBT automates the testing of quantum programs, with the aim of finding a test suite having the maximum number of failing test cases. QuSBT utilizes IBM's Qiskit as the simulation framework for quantum programs. We present the tool architecture in addition to the implemented methodology (i.e., the encoding of the search individual, the definition of the fitness function expressing the search problem, and the test assessment w.r.t. two types of failures). Finally, we report results of the experiments in which we tested a set of faulty quantum programs with QuSBT to assess its effectiveness. Repository (code and experimental results): //github.com/Simula-COMPLEX/qusbt-tool Video: //youtu.be/3apRCtluAn4

We describe a numerical algorithm for approximating the equilibrium-reduced density matrix and the effective (mean force) Hamiltonian for a set of system spins coupled strongly to a set of bath spins when the total system (system+bath) is held in canonical thermal equilibrium by weak coupling with a "super-bath". Our approach is a generalization of now standard typicality algorithms for computing the quantum expectation value of observables of bare quantum systems via trace estimators and Krylov subspace methods. In particular, our algorithm makes use of the fact that the reduced system density, when the bath is measured in a given random state, tends to concentrate about the corresponding thermodynamic averaged reduced system density. Theoretical error analysis and numerical experiments are given to validate the accuracy of our algorithm. Further numerical experiments demonstrate the potential of our approach for applications including the study of quantum phase transitions and entanglement entropy for long-range interaction systems.

Inspired by Hosoyamada et al.'s work [14], we propose a new quantum meet-in-the-middle (QMITM) attack on $r$-round ($r \ge 7$) Feistel construction to reduce the time complexity. Similar to Hosoyamada et al.'s work, our attack on 7-round Feistel is also based on Guo et al.'s classical meet-in-the-middle (MITM) attack [13]. The classic MITM attack consumes a lot of time mainly in three aspects: construct the lookup table, query data and find a match. Therefore, parallel Grover search processors are used to reduce the time of constructing the lookup table. And we adjust the truncated differentials of the 5-round distinguisher proposed by Guo et al. to balance the complexities between constructing the lookup table and querying data. Finally, we introduce a quantum claw finding algorithm to find a match for reducing time. The subkeys can be recovered by this match. Furthermore, for $r$-round ($r > 7$) Feistel construction, we treat the above attack on the first 7 rounds as an inner loop and use Grover's algorithm to search the last $r-7$ rounds of subkeys as an outer loop. In summary, the total time complexity of our attack on $r$-round ($r \ge 7$) is only $O(2^{2n/3+(r-7)n/4})$ less than classical and quantum attacks. Moreover, our attack belongs to Q1 model and is more practical than other quantum attacks.

We propose in this paper a data driven state estimation scheme for generating nonlinear reduced models for parametric families of PDEs, directly providing data-to-state maps, represented in terms of Deep Neural Networks. A major constituent is a sensor-induced decomposition of a model-compliant Hilbert space warranting approximation in problem relevant metrics. It plays a similar role as in a Parametric Background Data Weak framework for state estimators based on Reduced Basis concepts. Extensive numerical tests shed light on several optimization strategies that are to improve robustness and performance of such estimators.

Dynamic Linear Models (DLMs) are commonly employed for time series analysis due to their versatile structure, simple recursive updating, ability to handle missing data, and probabilistic forecasting. However, the options for count time series are limited: Gaussian DLMs require continuous data, while Poisson-based alternatives often lack sufficient modeling flexibility. We introduce a novel semiparametric methodology for count time series by warping a Gaussian DLM. The warping function has two components: a (nonparametric) transformation operator that provides distributional flexibility and a rounding operator that ensures the correct support for the discrete data-generating process. We develop conjugate inference for the warped DLM, which enables analytic and recursive updates for the state space filtering and smoothing distributions. We leverage these results to produce customized and efficient algorithms for inference and forecasting, including Monte Carlo simulation for offline analysis and an optimal particle filter for online inference. This framework unifies and extends a variety of discrete time series models and is valid for natural counts, rounded values, and multivariate observations. Simulation studies illustrate the excellent forecasting capabilities of the warped DLM. The proposed approach is applied to a multivariate time series of daily overdose counts and demonstrates both modeling and computational successes.

Recent decades, the emergence of numerous novel algorithms makes it a gimmick to propose an intelligent optimization system based on metaphor, and hinders researchers from exploring the essence of search behavior in algorithms. However, it is difficult to directly discuss the search behavior of an intelligent optimization algorithm, since there are so many kinds of intelligent schemes. To address this problem, an intelligent optimization system is regarded as a simulated physical optimization system in this paper. The dynamic search behavior of such a simplified physical optimization system are investigated with quantum theory. To achieve this goal, the Schroedinger equation is employed as the dynamics equation of the optimization algorithm, which is used to describe dynamic search behaviours in the evolution process with quantum theory. Moreover, to explore the basic behaviour of the optimization system, the optimization problem is assumed to be decomposed and approximated. Correspondingly, the basic search behaviour is derived, which constitutes the basic iterative process of a simple optimization system. The basic iterative process is compared with some classical bare-bones schemes to verify the similarity of search behavior under different metaphors. The search strategies of these bare bones algorithms are analyzed through experiments.

Most existing works of polar codes focus on the analysis of block error probability. However, in many scenarios, bit error probability is also important for evaluating the performance of channel codes. In this paper, we establish a new framework to analyze the bit error probability of polar codes. Specifically, by revisiting the error event of bit-channel, we first introduce the conditional bit error probability as a metric to evaluate the reliability of bit-channel for both systematic and non-systematic polar codes. Guided by the concept of polar subcode, we then derive an upper bound on the conditional bit error probability of each bit-channel, and accordingly, an upper bound on the bit error probability of polar codes. Based on these, two types of construction metrics aiming at minimizing the bit error probability of polar codes are proposed, which are of linear computational complexity and explicit forms. Simulation results show that the polar codes constructed by the proposed methods can outperform those constructed by the conventional methods.

Multi-fidelity models are of great importance due to their capability of fusing information coming from different simulations and sensors. In the context of Gaussian process regression we can exploit low-fidelity models to better capture the latent manifold thus improving the accuracy of the model. We focus on the approximation of high-dimensional scalar functions with low intrinsic dimensionality. By introducing a low dimensional bias in a chain of Gaussian processes with different fidelities we can fight the curse of dimensionality affecting these kind of quantities of interest, especially for many-query applications. In particular we seek a gradient-based reduction of the parameter space through linear active subspaces or a nonlinear transformation of the input space. Then we build a low-fidelity response surface based on such reduction, thus enabling multi-fidelity Gaussian process regression without the need of running new simulations with simplified physical models. This has a great potential in the data scarcity regime affecting many engineering applications. In this work we present a new multi-fidelity approach -- starting from the preliminary analysis conducted in Romor et al. 2020 -- involving active subspaces and nonlinear level-set learning method. The proposed numerical method is tested on two high-dimensional benchmark functions, and on a more complex car aerodynamics problem. We show how a low intrinsic dimensionality bias can increase the accuracy of Gaussian process response surfaces.