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We consider parametrized linear-quadratic optimal control problems and provide their online-efficient solutions by combining greedy reduced basis methods and machine learning algorithms. To this end, we first extend the greedy control algorithm, which builds a reduced basis for the manifold of optimal final time adjoint states, to the setting where the objective functional consists of a penalty term measuring the deviation from a desired state and a term describing the control energy. Afterwards, we apply machine learning surrogates to accelerate the online evaluation of the reduced model. The error estimates proven for the greedy procedure are further transferred to the machine learning models and thus allow for efficient a posteriori error certification. We discuss the computational costs of all considered methods in detail and show by means of two numerical examples the tremendous potential of the proposed methodology.

In this paper we give the first efficient algorithms for the $k$-center problem on dynamic graphs undergoing edge updates. In this problem, the goal is to partition the input into $k$ sets by choosing $k$ centers such that the maximum distance from any data point to the closest center is minimized. It is known that it is NP-hard to get a better than $2$ approximation for this problem. While in many applications the input may naturally be modeled as a graph, all prior works on $k$-center problem in dynamic settings are on metrics. In this paper, we give a deterministic decremental $(2+\epsilon)$-approximation algorithm and a randomized incremental $(4+\epsilon)$-approximation algorithm, both with amortized update time $kn^{o(1)}$ for weighted graphs. Moreover, we show a reduction that leads to a fully dynamic $(2+\epsilon)$-approximation algorithm for the $k$-center problem, with worst-case update time that is within a factor $k$ of the state-of-the-art upper bound for maintaining $(1+\epsilon)$-approximate single-source distances in graphs. Matching this bound is a natural goalpost because the approximate distances of each vertex to its center can be used to maintain a $(2+\epsilon)$-approximation of the graph diameter and the fastest known algorithms for such a diameter approximation also rely on maintaining approximate single-source distances.

Quantum-enhanced data science, also known as quantum machine learning (QML), is of growing interest as an application of near-term quantum computers. Variational QML algorithms have the potential to solve practical problems on real hardware, particularly when involving quantum data. However, training these algorithms can be challenging and calls for tailored optimization procedures. Specifically, QML applications can require a large shot-count overhead due to the large datasets involved. In this work, we advocate for simultaneous random sampling over both the dataset as well as the measurement operators that define the loss function. We consider a highly general loss function that encompasses many QML applications, and we show how to construct an unbiased estimator of its gradient. This allows us to propose a shot-frugal gradient descent optimizer called Refoqus (REsource Frugal Optimizer for QUantum Stochastic gradient descent). Our numerics indicate that Refoqus can save several orders of magnitude in shot cost, even relative to optimizers that sample over measurement operators alone.

The aim of this article is to propose a new reduced-order modelling approach for parametric eigenvalue problems arising in electronic structure calculations. Namely, we develop nonlinear reduced basis techniques for the approximation of parametric eigenvalue problems inspired from quantum chemistry applications. More precisely, we consider here a one-dimensional model which is a toy model for the computation of the electronic ground state wavefunction of a system of electrons within a molecule, solution to the many-body electronic Schr\"odinger equation, where the varying parameters are the positions of the nuclei in the molecule. We estimate the decay rate of the Kolmogorov n-width of the set of solutions for this parametric problem in several settings, including the standard L2-norm as well as with distances based on optimal transport. The fact that the latter decays much faster than in the traditional L2-norm setting motivates us to propose a practical nonlinear reduced basis method, which is based on an offline greedy algorithm, and an efficient stochastic energy minimization in the online phase. We finally provide numerical results illustrating the capabilities of the method and good approximation properties, both in the offline and the online phase.

The complexity of learning problems, such as Generative Adversarial Network (GAN) and its variants, multi-task and meta-learning, hyper-parameter learning, and a variety of real-world vision applications, demands a deeper understanding of their underlying coupling mechanisms. Existing approaches often address these problems in isolation, lacking a unified perspective that can reveal commonalities and enable effective solutions. Therefore, in this work, we proposed a new framework, named Learning with Constraint Learning (LwCL), that can holistically examine challenges and provide a unified methodology to tackle all the above-mentioned complex learning and vision problems. Specifically, LwCL is designed as a general hierarchical optimization model that captures the essence of these diverse learning and vision problems. Furthermore, we develop a gradient-response based fast solution strategy to overcome optimization challenges of the LwCL framework. Our proposed framework efficiently addresses a wide range of applications in learning and vision, encompassing three categories and nine different problem types. Extensive experiments on synthetic tasks and real-world applications verify the effectiveness of our approach. The LwCL framework offers a comprehensive solution for tackling complex machine learning and computer vision problems, bridging the gap between theory and practice.

The CONGEST and CONGEST-CLIQUE models have been carefully studied to represent situations where the communication bandwidth between processors in a network is severely limited. Messages of only $O(log(n))$ bits of information each may be sent between processors in each round. The quantum versions of these models allow the processors instead to communicate and compute with quantum bits under the same bandwidth limitations. This leads to the following natural research question: What problems can be solved more efficiently in these quantum models than in the classical ones? Building on existing work, we contribute to this question in two ways. Firstly, we present two algorithms in the Quantum CONGEST-CLIQUE model of distributed computation that succeed with high probability; one for producing an approximately optimal Steiner Tree, and one for producing an exact directed minimum spanning tree, each of which uses $\tilde{O}(n^{1/4})$ rounds of communication and $\tilde{O}(n^{9/4})$ messages, where $n$ is the number of nodes in the network. The algorithms thus achieve a lower asymptotic round and message complexity than any known algorithms in the classical CONGEST-CLIQUE model. At a high level, we achieve these results by combining classical algorithmic frameworks with quantum subroutines. An existing framework for using distributed version of Grover's search algorithm to accelerate triangle finding lies at the core of the asymptotic speedup. Secondly, we carefully characterize the constants and logarithmic factors involved in our algorithms as well as related algorithms, otherwise commonly obscured by $\tilde{O}$ notation. The analysis shows that some improvements are needed to render both our and existing related quantum and classical algorithms practical, as their asymptotic speedups only help for very large values of $n$.

Compositionality is at the heart of computer science and several other areas of applied category theory such as computational linguistics, categorical quantum mechanics, interpretable AI, dynamical systems, compositional game theory, and Petri nets. However, the meaning of the term seems to vary across the many different applications. This work contributes to understanding, and in particular qualifying, different kinds of compositionality. Formally, we introduce invariants of categories that we call zeroth and first homotopy posets, generalising in a precise sense the $\pi_0$ and $\pi_1$ of a groupoid. These posets can be used to obtain a qualitative description of how far an object is from being terminal and a morphism is from being iso. In the context of applied category theory, this formal machinery gives us a way to qualitatively describe the "failures of compositionality", seen as failures of certain (op)lax functors to be strong, by classifying obstructions to the (op)laxators being isomorphisms. Failure of compositionality, for example for the interpretation of a categorical syntax in a semantic universe, can both be a bad thing and a good thing, which we illustrate by respective examples in graph theory and quantum theory.

The quantum dense output problem is the process of evaluating time-accumulated observables from time-dependent quantum dynamics using quantum computers. This problem arises frequently in applications such as quantum control and spectroscopic computation. We present a range of algorithms designed to operate on both early and fully fault-tolerant quantum platforms. These methodologies draw upon techniques like amplitude estimation, Hamiltonian simulation, quantum linear Ordinary Differential Equation (ODE) solvers, and quantum Carleman linearization. We provide a comprehensive complexity analysis with respect to the evolution time $T$ and error tolerance $\epsilon$. Our results demonstrate that the linearization approach can nearly achieve optimal complexity $\mathcal{O}(T/\epsilon)$ for a certain type of low-rank dense outputs. Moreover, we provide a linearization of the dense output problem that yields an exact and finite-dimensional closure which encompasses the original states. This formulation is related to the Koopman Invariant Subspace theory and may be of independent interest in nonlinear control and scientific machine learning.

Classic algorithms and machine learning systems like neural networks are both abundant in everyday life. While classic computer science algorithms are suitable for precise execution of exactly defined tasks such as finding the shortest path in a large graph, neural networks allow learning from data to predict the most likely answer in more complex tasks such as image classification, which cannot be reduced to an exact algorithm. To get the best of both worlds, this thesis explores combining both concepts leading to more robust, better performing, more interpretable, more computationally efficient, and more data efficient architectures. The thesis formalizes the idea of algorithmic supervision, which allows a neural network to learn from or in conjunction with an algorithm. When integrating an algorithm into a neural architecture, it is important that the algorithm is differentiable such that the architecture can be trained end-to-end and gradients can be propagated back through the algorithm in a meaningful way. To make algorithms differentiable, this thesis proposes a general method for continuously relaxing algorithms by perturbing variables and approximating the expectation value in closed form, i.e., without sampling. In addition, this thesis proposes differentiable algorithms, such as differentiable sorting networks, differentiable renderers, and differentiable logic gate networks. Finally, this thesis presents alternative training strategies for learning with algorithms.

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.