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This technical report contains the proofs to the lemmata and theorems of [15] as well as some additional material. The main contributions of [15] are the analysis of the applicability of several quality criteria for encodings within a quantum based setting and a discussion on new, quantum specific criteria. Therefore, an encoding from one quantum based process calculi into another is presented and the quality criteria are applied to it. The separation result proves the absence of an encoding the other way around.

We introduce and analyze various Regularized Combined Field Integral Equations (CFIER) formulations of time-harmonic Navier equations in media with piece-wise constant material properties. These formulations can be derived systematically starting from suitable coercive approximations of Dirichlet-to-Neumann operators (DtN), and we present a periodic pseudodifferential calculus framework within which the well posedness of CIER formulations can be established. We also use the DtN approximations to derive and analyze Optimized Schwarz (OS) methods for the solution of elastodynamics transmission problems. The pseudodifferential calculus we develop in this paper relies on careful singularity splittings of the kernels of Navier boundary integral operators which is also the basis of high-order Nystr\"om quadratures for their discretizations. Based on these high-order discretizations we investigate the rate of convergence of iterative solvers applied to CFIER and OS formulations of scattering and transmission problems. We present a variety of numerical results that illustrate that the CFIER methodology leads to important computational savings over the classical CFIE one, whenever iterative solvers are used for the solution of the ensuing discretized boundary integral equations. Finally, we show that the OS methods are competitive in the high-frequency high-contrast regime.

We consider statistical models arising from the common set of solutions to a sparse polynomial system with general coefficients. The maximum likelihood degree counts the number of critical points of the likelihood function restricted to the model. We prove the maximum likelihood degree of a sparse polynomial system is determined by its Newton polytopes and equals the mixed volume of a related Lagrange system of equations.

We introduce a filtering technique for Discontinuous Galerkin approximations of hyperbolic problems. Following an approach already proposed for the Hamilton-Jacobi equations by other authors, we aim at reducing the spurious oscillations that arise in presence of discontinuities when high order spatial discretizations are employed. This goal is achieved using a filter function that keeps the high order scheme when the solution is regular and switches to a monotone low order approximation if it is not. The method has been implemented in the framework of the $deal.II$ numerical library, whose mesh adaptation capabilities are also used to reduce the region in which the low order approximation is used. A number of numerical experiments demonstrate the potential of the proposed filtering technique.

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.

We consider smooth optimization problems with a Hermitian positive semi-definite fixed-rank constraint, where a quotient geometry with three Riemannian metrics $g^i(\cdot, \cdot)$ $(i=1,2,3)$ is used to represent this constraint. By taking the nonlinear conjugate gradient method (CG) as an example, we show that CG on the quotient geometry with metric $g^1$ is equivalent to CG on the factor-based optimization framework, which is often called the Burer--Monteiro approach. We also show that CG on the quotient geometry with metric $g^3$ is equivalent to CG on the commonly-used embedded geometry. We call two CG methods equivalent if they produce an identical sequence of iterates $\{X_k\}$. In addition, we show that if the limit point of the sequence $\{X_k\}$ generated by an algorithm has lower rank, that is $X_k\in \mathbb C^{n\times n}, k = 1, 2, \ldots$ has rank $p$ and the limit point $X_*$ has rank $r < p$, then the condition number of the Riemannian Hessian with metric $g^1$ can be unbounded, but those of the other two metrics stay bounded. Numerical experiments show that the Burer--Monteiro CG method has slower local convergence rate if the limit point has a reduced rank, compared to CG on the quotient geometry under the other two metrics. This slower convergence rate can thus be attributed to the large condition number of the Hessian near a minimizer.

We introduce a novel methodology for particle filtering in dynamical systems where the evolution of the signal of interest is described by a SDE and observations are collected instantaneously at prescribed time instants. The new approach includes the discretisation of the SDE and the design of efficient particle filters for the resulting discrete-time state-space model. The discretisation scheme converges with weak order 1 and it is devised to create a sequential dependence structure along the coordinates of the discrete-time state vector. We introduce a class of space-sequential particle filters that exploits this structure to improve performance when the system dimension is large. This is numerically illustrated by a set of computer simulations for a stochastic Lorenz 96 system with additive noise. The new space-sequential particle filters attain approximately constant estimation errors as the dimension of the Lorenz 96 system is increased, with a computational cost that increases polynomially, rather than exponentially, with the system dimension. Besides the new numerical scheme and particle filters, we provide in this paper a general framework for discrete-time filtering in continuous-time dynamical systems described by a SDE and instantaneous observations. Provided that the SDE is discretised using a weakly-convergent scheme, we prove that the marginal posterior laws of the resulting discrete-time state-space model converge to the posterior marginal posterior laws of the original continuous-time state-space model under a suitably defined metric. This result is general and not restricted to the numerical scheme or particle filters specifically studied in this manuscript.

We prove linear convergence of gradient descent to a global minimum for the training of deep residual networks with constant layer width and smooth activation function. We further show that the trained weights, as a function of the layer index, admits a scaling limit which is H\"older continuous as the depth of the network tends to infinity. The proofs are based on non-asymptotic estimates of the loss function and of norms of the network weights along the gradient descent path. We illustrate the relevance of our theoretical results to practical settings using detailed numerical experiments on supervised learning problems.

To address the sparsity and cold start problem of collaborative filtering, researchers usually make use of side information, such as social networks or item attributes, to improve recommendation performance. This paper considers the knowledge graph as the source of side information. To address the limitations of existing embedding-based and path-based methods for knowledge-graph-aware recommendation, we propose Ripple Network, an end-to-end framework that naturally incorporates the knowledge graph into recommender systems. Similar to actual ripples propagating on the surface of water, Ripple Network stimulates the propagation of user preferences over the set of knowledge entities by automatically and iteratively extending a user's potential interests along links in the knowledge graph. The multiple "ripples" activated by a user's historically clicked items are thus superposed to form the preference distribution of the user with respect to a candidate item, which could be used for predicting the final clicking probability. Through extensive experiments on real-world datasets, we demonstrate that Ripple Network achieves substantial gains in a variety of scenarios, including movie, book and news recommendation, over several state-of-the-art baselines.