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Variational Quantum Algorithms (VQAs), such as the Quantum Approximate Optimization Algorithm (QAOA) of [Farhi, Goldstone, Gutmann, 2014], have seen intense study towards near-term applications on quantum hardware. A crucial parameter for VQAs is the \emph{depth} of the variational ``ansatz'' used -- the smaller the depth, the more amenable the ansatz is to near-term quantum hardware in that it gives the circuit a chance to be fully executed before the system decoheres. In this work, we show that approximating the optimal depth for a given VQA ansatz is intractable. Formally, we show that for any constant $\epsilon>0$, it is QCMA-hard to approximate the optimal depth of a VQA ansatz within multiplicative factor $N^{1-\epsilon}$, for $N$ denoting the encoding size of the VQA instance. (Here, Quantum Classical Merlin-Arthur (QCMA) is a quantum generalization of NP.) We then show that this hardness persists in the even ``simpler'' QAOA-type settings. To our knowledge, this yields the first natural QCMA-hard-to-approximate problems.

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This article re-examines Lawvere's abstract, category-theoretic proof of the fixed-point theorem whose contrapositive is a `universal' diagonal argument. The main result is that the necessary axioms for both the fixed-point theorem and the diagonal argument can be stripped back further, to a semantic analogue of a weak substructural logic lacking weakening or exchange.

Ghost, or fictitious points allow to capture boundary conditions that are not located on the finite difference grid discretization. We explore in this paper the impact of ghost points on the stability of the explicit Euler finite difference scheme in the context of the diffusion equation. In particular, we consider the case of a one-touch option under the Black-Scholes model. The observations and results are however valid for a much wider range of financial contracts and models.

We present the Continuous Empirical Cubature Method (CECM), a novel algorithm for empirically devising efficient integration rules. The CECM aims to improve existing cubature methods by producing rules that are close to the optimal, featuring far less points than the number of functions to integrate. The CECM consists on a two-stage strategy. First, a point selection strategy is applied for obtaining an initial approximation to the cubature rule, featuring as many points as functions to integrate. The second stage consists in a sparsification strategy in which, alongside the indexes and corresponding weights, the spatial coordinates of the points are also considered as design variables. The positions of the initially selected points are changed to render their associated weights to zero, and in this way, the minimum number of points is achieved. Although originally conceived within the framework of hyper-reduced order models (HROMs), we present the method's formulation in terms of generic vector-valued functions, thereby accentuating its versatility across various problem domains. To demonstrate the extensive applicability of the method, we conduct numerical validations using univariate and multivariate Lagrange polynomials. In these cases, we show the method's capacity to retrieve the optimal Gaussian rule. We also asses the method for an arbitrary exponential-sinusoidal function in a 3D domain, and finally consider an example of the application of the method to the hyperreduction of a multiscale finite element model, showcasing notable computational performance gains. A secondary contribution of the current paper is the Sequential Randomized SVD (SRSVD) approach for computing the Singular Value Decomposition (SVD) in a column-partitioned format. The SRSVD is particularly advantageous when matrix sizes approach memory limitations.

Hamiltonian Monte Carlo (HMC) is a Markov chain Monte Carlo method that allows to sample high dimensional probability measures. It relies on the integration of the Hamiltonian dynamics to propose a move which is then accepted or rejected thanks to a Metropolis procedure. Unbiased sampling is guaranteed by the preservation by the numerical integrators of two key properties of the Hamiltonian dynamics: volume-preservation and reversibility up to momentum reversal. For separable Hamiltonian functions, some standard explicit numerical schemes, such as the St\"ormer-Verlet integrator, satisfy these properties. However, for numerical or physical reasons, one may consider a Hamiltonian function which is nonseparable, in which case the standard numerical schemes which preserve the volume and satisfy reversibility up to momentum reversal are implicit. When implemented in practice, such implicit schemes may admit many solutions or none, especially when the timestep is too large. We show here how to enforce the numerical reversibility, and thus unbiasedness, of HMC schemes in this context by introducing a reversibility check. In addition, for some specific forms of the Hamiltonian function, we discuss the consistency of these HMC schemes with some Langevin dynamics, and show in particular that our algorithm yields an efficient discretization of the metropolized overdamped Langevin dynamics with position-dependent diffusion coefficients. Numerical results illustrate the relevance of the reversibility check on simple problems.

In this paper, we present a novel algorithm called the Hybrid Search algorithm that integrates the Zermelo's Navigation Initial Value Problem with the Ferraro-Mart\'in de Diego-Almagro algorithm to find the optimal route for a vessel to reach its destination. Our algorithm is designed to work in both Euclidean and spherical spaces and utilizes a heuristic that allows the vessel to move forward while remaining within a predetermined search cone centred around the destination. This approach not only improves efficiency but also includes obstacle avoidance, making it well-suited for real-world applications. We evaluate the performance of the Hybrid Search algorithm on synthetic vector fields and real ocean currents data, demonstrating its effectiveness and performance.

In multi-objective optimization, a single decision vector must balance the trade-offs between many objectives. Solutions achieving an optimal trade-off are said to be Pareto optimal: these are decision vectors for which improving any one objective must come at a cost to another. But as the set of Pareto optimal vectors can be very large, we further consider a more practically significant Pareto-constrained optimization problem, where the goal is to optimize a preference function constrained to the Pareto set. We investigate local methods for solving this constrained optimization problem, which poses significant challenges because the constraint set is (i) implicitly defined, and (ii) generally non-convex and non-smooth, even when the objectives are. We define notions of optimality and stationarity, and provide an algorithm with a last-iterate convergence rate of $O(K^{-1/2})$ to stationarity when the objectives are strongly convex and Lipschitz smooth.

In recent years, the concept of introducing physics to machine learning has become widely popular. Most physics-inclusive ML-techniques however are still limited to a single geometry or a set of parametrizable geometries. Thus, there remains the need to train a new model for a new geometry, even if it is only slightly modified. With this work we introduce a technique with which it is possible to learn approximate solutions to the steady-state Navier--Stokes equations in varying geometries without the need of parametrization. This technique is based on a combination of a U-Net-like CNN and well established discretization methods from the field of the finite difference method.The results of our physics-aware CNN are compared to a state-of-the-art data-based approach. Additionally, it is also shown how our approach performs when combined with the data-based approach.

This paper focuses on investigating the learning operators for identifying weak solutions to the Navier-Stokes equations. Our objective is to establish a connection between the initial data as input and the weak solution as output. To achieve this, we employ a combination of deep learning methods and compactness argument to derive learning operators for weak solutions for any large initial data in 2D, and for low-dimensional initial data in 3D. Additionally, we utilize the universal approximation theorem to derive a lower bound on the number of sensors required to achieve accurate identification of weak solutions to the Navier-Stokes equations. Our results demonstrate the potential of using deep learning techniques to address challenges in the study of fluid mechanics, particularly in identifying weak solutions to the Navier-Stokes equations.

The goal of explainable Artificial Intelligence (XAI) is to generate human-interpretable explanations, but there are no computationally precise theories of how humans interpret AI generated explanations. The lack of theory means that validation of XAI must be done empirically, on a case-by-case basis, which prevents systematic theory-building in XAI. We propose a psychological theory of how humans draw conclusions from saliency maps, the most common form of XAI explanation, which for the first time allows for precise prediction of explainee inference conditioned on explanation. Our theory posits that absent explanation humans expect the AI to make similar decisions to themselves, and that they interpret an explanation by comparison to the explanations they themselves would give. Comparison is formalized via Shepard's universal law of generalization in a similarity space, a classic theory from cognitive science. A pre-registered user study on AI image classifications with saliency map explanations demonstrate that our theory quantitatively matches participants' predictions of the AI.

*《Connections between Support Vector Machines, Wasserstein distance and gradient-penalty GANs》A Jolicoeur-Martineau, I Mitliagkas [Mila] (2019)

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