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Entropy measures quantify the amount of information and correlations present in a quantum system. In practice, when the quantum state is unknown and only copies thereof are available, one must resort to the estimation of such entropy measures. Here we propose a variational quantum algorithm for estimating the von Neumann and R\'enyi entropies, as well as the measured relative entropy and measured R\'enyi relative entropy. Our approach first parameterizes a variational formula for the measure of interest by a quantum circuit and a classical neural network, and then optimizes the resulting objective over parameter space. Numerical simulations of our quantum algorithm are provided, using a noiseless quantum simulator. The algorithm provides accurate estimates of the various entropy measures for the examples tested, which renders it as a promising approach for usage in downstream tasks.

Understanding superfluidity remains a major goal of condensed matter physics. Here we tackle this challenge utilizing the recently developed Fermionic neural network (FermiNet) wave function Ansatz for variational Monte Carlo calculations. We study the unitary Fermi gas, a system with strong, short-range, two-body interactions known to possess a superfluid ground state but difficult to describe quantitatively. We demonstrate key limitations of the FermiNet Ansatz in studying the unitary Fermi gas and propose a simple modification that outperforms the original FermiNet significantly, giving highly accurate results. We prove mathematically that the new Ansatz, which only differs from the original Ansatz by the method of antisymmetrization, is a strict generalization of the original FermiNet architecture, despite the use of fewer parameters. Our approach shares several advantages with the FermiNet: the use of a neural network removes the need for an underlying basis set; and the flexibility of the network yields extremely accurate results within a variational quantum Monte Carlo framework that provides access to unbiased estimates of arbitrary ground-state expectation values. We discuss how the method can be extended to study other superfluids.

This paper is a collection of results on combinatorial properties of codes for the Z-channel. A Z-channel with error fraction $\tau$ takes as input a length-$n$ binary codeword and injects in an adversarial manner up to $n\tau$ asymmetric errors, i.e., errors that only zero out bits but do not flip $0$'s to $1$'s. It is known that the largest $(L-1)$-list-decodable code for the Z-channel with error fraction $\tau$ has exponential size (in $n$) if $\tau$ is less than a critical value that we call the $(L-1)$-list-decoding Plotkin point and has constant size if $\tau$ is larger than the threshold. The $(L-1)$-list-decoding Plotkin point is known to be $ L^{-\frac{1}{L-1}} - L^{-\frac{L}{L-1}} $, which equals $1/4$ for unique-decoding with $ L-1=1 $. In this paper, we derive various results for the size of the largest codes above and below the list-decoding Plotkin point. In particular, we show that the largest $(L-1)$-list-decodable code $\epsilon$-above the Plotkin point, {for any given sufficiently small positive constant $ \epsilon>0 $,} has size $\Theta_L(\epsilon^{-3/2})$ for any $L-1\ge1$. We also devise upper and lower bounds on the exponential size of codes below the list-decoding Plotkin point.

This article proposes an efficient numerical method for solving nonlinear partial differential equations (PDEs) based on sparse Gaussian processes (SGPs). Gaussian processes (GPs) have been extensively studied for solving PDEs by formulating the problem of finding a reproducing kernel Hilbert space (RKHS) to approximate a PDE solution. The approximated solution lies in the span of base functions generated by evaluating derivatives of different orders of kernels at sample points. However, the RKHS specified by GPs can result in an expensive computational burden due to the cubic computation order of the matrix inverse. Therefore, we conjecture that a solution exists on a ``condensed" subspace that can achieve similar approximation performance, and we propose a SGP-based method to reformulate the optimization problem in the ``condensed" subspace. This significantly reduces the computation burden while retaining desirable accuracy. The paper rigorously formulates this problem and provides error analysis and numerical experiments to demonstrate the effectiveness of this method. The numerical experiments show that the SGP method uses fewer than half the uniform samples as inducing points and achieves comparable accuracy to the GP method using the same number of uniform samples, resulting in a significant reduction in computational cost. Our contributions include formulating the nonlinear PDE problem as an optimization problem on a ``condensed" subspace of RKHS using SGP, as well as providing an existence proof and rigorous error analysis. Furthermore, our method can be viewed as an extension of the GP method to account for general positive semi-definite kernels.

Reinforcement learning agents have been mostly developed and evaluated under the assumption that they will operate in a fully autonomous manner -- they will take all actions. In this work, our goal is to develop algorithms that, by learning to switch control between agents, allow existing reinforcement learning agents to operate under different automation levels. To this end, we first formally define the problem of learning to switch control among agents in a team via a 2-layer Markov decision process. Then, we develop an online learning algorithm that uses upper confidence bounds on the agents' policies and the environment's transition probabilities to find a sequence of switching policies. The total regret of our algorithm with respect to the optimal switching policy is sublinear in the number of learning steps and, whenever multiple teams of agents operate in a similar environment, our algorithm greatly benefits from maintaining shared confidence bounds for the environments' transition probabilities and it enjoys a better regret bound than problem-agnostic algorithms. Simulation experiments in an obstacle avoidance task illustrate our theoretical findings and demonstrate that, by exploiting the specific structure of the problem, our proposed algorithm is superior to problem-agnostic algorithms.

This paper introduces assignment flows for density matrices as state spaces for representing and analyzing data associated with vertices of an underlying weighted graph. Determining an assignment flow by geometric integration of the defining dynamical system causes an interaction of the non-commuting states across the graph, and the assignment of a pure (rank-one) state to each vertex after convergence. Adopting the Riemannian Bogoliubov-Kubo-Mori metric from information geometry leads to closed-form local expressions which can be computed efficiently and implemented in a fine-grained parallel manner. Restriction to the submanifold of commuting density matrices recovers the assignment flows for categorial probability distributions, which merely assign labels from a finite set to each data point. As shown for these flows in our prior work, the novel class of quantum state assignment flows can also be characterized as Riemannian gradient flows with respect to a non-local non-convex potential, after proper reparametrization and under mild conditions on the underlying weight function. This weight function generates the parameters of the layers of a neural network, corresponding to and generated by each step of the geometric integration scheme. Numerical results indicates and illustrate the potential of the novel approach for data representation and analysis, including the representation of correlations of data across the graph by entanglement and tensorization.

A Random Vector Functional Link (RVFL) network is a depth-2 neural network with random inner weights and biases. As only the outer weights of such architectures need to be learned, the learning process boils down to a linear optimization task, allowing one to sidestep the pitfalls of nonconvex optimization problems. In this paper, we prove that an RVFL with ReLU activation functions can approximate Lipschitz continuous functions provided its hidden layer is exponentially wide in the input dimension. Although it has been established before that such approximation can be achieved in $L_2$ sense, we prove it for $L_\infty$ approximation error and Gaussian inner weights. To the best of our knowledge, our result is the first of this kind. We give a nonasymptotic lower bound for the number of hidden layer nodes, depending on, among other things, the Lipschitz constant of the target function, the desired accuracy, and the input dimension. Our method of proof is rooted in probability theory and harmonic analysis.

We study the type of solutions to which stochastic gradient descent converges when used to train a single hidden-layer multivariate ReLU network with the quadratic loss. Our results are based on a dynamical stability analysis. In the univariate case, it was shown that linearly stable minima correspond to network functions (predictors), whose second derivative has a bounded weighted $L^1$ norm. Notably, the bound gets smaller as the step size increases, implying that training with a large step size leads to `smoother' predictors. Here we generalize this result to the multivariate case, showing that a similar result applies to the Laplacian of the predictor. We demonstrate the tightness of our bound on the MNIST dataset, and show that it accurately captures the behavior of the solutions as a function of the step size. Additionally, we prove a depth separation result on the approximation power of ReLU networks corresponding to stable minima of the loss. Specifically, although shallow ReLU networks are universal approximators, we prove that stable shallow networks are not. Namely, there is a function that cannot be well-approximated by stable single hidden-layer ReLU networks trained with a non-vanishing step size. This is while the same function can be realized as a stable two hidden-layer ReLU network. Finally, we prove that if a function is sufficiently smooth (in a Sobolev sense) then it can be approximated arbitrarily well using shallow ReLU networks that correspond to stable solutions of gradient descent.

The generalization mystery in deep learning is the following: Why do over-parameterized neural networks trained with gradient descent (GD) generalize well on real datasets even though they are capable of fitting random datasets of comparable size? Furthermore, from among all solutions that fit the training data, how does GD find one that generalizes well (when such a well-generalizing solution exists)? We argue that the answer to both questions lies in the interaction of the gradients of different examples during training. Intuitively, if the per-example gradients are well-aligned, that is, if they are coherent, then one may expect GD to be (algorithmically) stable, and hence generalize well. We formalize this argument with an easy to compute and interpretable metric for coherence, and show that the metric takes on very different values on real and random datasets for several common vision networks. The theory also explains a number of other phenomena in deep learning, such as why some examples are reliably learned earlier than others, why early stopping works, and why it is possible to learn from noisy labels. Moreover, since the theory provides a causal explanation of how GD finds a well-generalizing solution when one exists, it motivates a class of simple modifications to GD that attenuate memorization and improve generalization. Generalization in deep learning is an extremely broad phenomenon, and therefore, it requires an equally general explanation. We conclude with a survey of alternative lines of attack on this problem, and argue that the proposed approach is the most viable one on this basis.

The growing energy and performance costs of deep learning have driven the community to reduce the size of neural networks by selectively pruning components. Similarly to their biological counterparts, sparse networks generalize just as well, if not better than, the original dense networks. Sparsity can reduce the memory footprint of regular networks to fit mobile devices, as well as shorten training time for ever growing networks. In this paper, we survey prior work on sparsity in deep learning and provide an extensive tutorial of sparsification for both inference and training. We describe approaches to remove and add elements of neural networks, different training strategies to achieve model sparsity, and mechanisms to exploit sparsity in practice. Our work distills ideas from more than 300 research papers and provides guidance to practitioners who wish to utilize sparsity today, as well as to researchers whose goal is to push the frontier forward. We include the necessary background on mathematical methods in sparsification, describe phenomena such as early structure adaptation, the intricate relations between sparsity and the training process, and show techniques for achieving acceleration on real hardware. We also define a metric of pruned parameter efficiency that could serve as a baseline for comparison of different sparse networks. We close by speculating on how sparsity can improve future workloads and outline major open problems in the field.