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A quantum walk is the quantum analogue of a random walk. While it is relatively well understood how quantum walks can speed up random walk hitting times, it is a long-standing open question to what extent quantum walks can speed up the spreading or mixing rate of random walks on graphs. In this expository paper, inspired by a blog post by Terence Tao, we describe a particular perspective on this question that derives quantum walks from the discrete wave equation on graphs. This yields a description of the quantum walk dynamics as simply applying a Chebyshev polynomial to the random walk transition matrix. This perspective decouples the problem from its quantum origin, and highlights connections to earlier (non-quantum) work and the use of Chebyshev polynomials in random walk theory as in the Varopoulos-Carne bound. We illustrate the approach by proving a weak limit of the quantum walk dynamics on the lattice. This gives a different proof of the quadratically improved spreading behavior of quantum walks on lattices.

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切(qie)比(bi)雪夫(fu)多項(xiang)式(shi)(shi)是以俄(e)國著名數(shu)學(xue)(xue)家切(qie)比(bi)雪夫(fu)(Tschebyscheff,又譯契貝雪夫(fu)等(deng),1821一1894)的(de)名字命名的(de)重要(yao)(yao)的(de)特殊函(han)數(shu),第(di)(di)一類切(qie)比(bi)雪夫(fu)多項(xiang)式(shi)(shi)Tn和第(di)(di)二類切(qie)比(bi)雪夫(fu)多項(xiang)式(shi)(shi)Un(簡稱切(qie)比(bi)雪夫(fu)多項(xiang)式(shi)(shi))。源起于多倍角的(de)余弦函(han)數(shu)和正(zheng)弦函(han)數(shu)的(de)展開式(shi)(shi),是與棣美弗定(ding)理有關、以遞歸(gui)方式(shi)(shi)定(ding)義的(de)多項(xiang)式(shi)(shi)序列,是計算(suan)數(shu)學(xue)(xue)中(zhong)的(de)一類特殊函(han)數(shu),對(dui)于注入連續函(han)數(shu)逼近問題(ti)(ti),阻抗變換問題(ti)(ti)等(deng)等(deng)的(de)數(shu)學(xue)(xue)、物理學(xue)(xue)、技術科學(xue)(xue)中(zhong)的(de)近似計算(suan)有著非常重要(yao)(yao)的(de)作用。

Decision making and learning in the presence of uncertainty has attracted significant attention in view of the increasing need to achieve robust and reliable operations. In the case where uncertainty stems from the presence of adversarial attacks this need is becoming more prominent. In this paper we focus on linear and nonlinear classification problems and propose a novel adversarial training method for robust classifiers, inspired by Support Vector Machine (SVM) margins. We view robustness under a data driven lens, and derive finite sample complexity bounds for both linear and non-linear classifiers in binary and multi-class scenarios. Notably, our bounds match natural classifiers' complexity. Our algorithm minimizes a worst-case surrogate loss using Linear Programming (LP) and Second Order Cone Programming (SOCP) for linear and non-linear models. Numerical experiments on the benchmark MNIST and CIFAR10 datasets show our approach's comparable performance to state-of-the-art methods, without needing adversarial examples during training. Our work offers a comprehensive framework for enhancing binary linear and non-linear classifier robustness, embedding robustness in learning under the presence of adversaries.

The amount of information in satisfiability problem (SAT) is considered. SAT can be polynomial-time solvable when the solving algorithm holds an exponential amount of information. It is also established that SAT Kolmogorov complexity is constant. It is argued that the amount of information in SAT grows at least exponentially with the size of the input instance. The amount of information in SAT is compared with the amount of information in the fixed code algorithms and generated over runtime.

Bayesian approaches for training deep neural networks (BNNs) have received significant interest and have been effectively utilized in a wide range of applications. There have been several studies on the properties of posterior concentrations of BNNs. However, most of these studies only demonstrate results in BNN models with sparse or heavy-tailed priors. Surprisingly, no theoretical results currently exist for BNNs using Gaussian priors, which are the most commonly used one. The lack of theory arises from the absence of approximation results of Deep Neural Networks (DNNs) that are non-sparse and have bounded parameters. In this paper, we present a new approximation theory for non-sparse DNNs with bounded parameters. Additionally, based on the approximation theory, we show that BNNs with non-sparse general priors can achieve near-minimax optimal posterior concentration rates to the true model.

We develop a new coarse-scale approximation strategy for the nonlinear single-continuum Richards equation as an unsaturated flow over heterogeneous non-periodic media, using the online generalized multiscale finite element method (online GMsFEM) together with deep learning. A novelty of this approach is that local online multiscale basis functions are computed rapidly and frequently by utilizing deep neural networks (DNNs). More precisely, we employ the training set of stochastic permeability realizations and the computed relating online multiscale basis functions to train neural networks. The nonlinear map between such permeability fields and online multiscale basis functions is developed by our proposed deep learning algorithm. That is, in a new way, the predicted online multiscale basis functions incorporate the nonlinearity treatment of the Richards equation and refect any time-dependent changes in the problem's properties. Multiple numerical experiments in two-dimensional model problems show the good performance of this technique, in terms of predictions of the online multiscale basis functions and thus finding solutions.

Seven degree-of-freedom (DOF) robot arms have one redundant DOF which does not change the motion of the end effector. The redundant DOF offers greater manipulability of the arm configuration to avoid obstacles and singularities, but it must be parameterized to fully specify the joint angles for a given end effector pose. For 7-DOF revolute (7R) manipulators, we introduce a new concept of generalized shoulder-elbow-wrist (SEW) angle, a generalization of the conventional SEW angle but with an arbitrary choice of the reference direction function. The SEW angle is widely used and easy for human operators to visualize as a rotation of the elbow about the shoulder-wrist line. Since other redundancy parameterizations including the conventional SEW angle encounter an algorithmic singularity along a line in the workspace, we introduce a special choice of the reference direction function called the stereographic SEW angle which has a singularity only along a half-line, which can be placed out of reach. We prove that such a singularity is unavoidable for any parameterization. We also include expressions for the SEW angle Jacobian along with singularity analysis. Finally, we provide efficient and singularity-robust inverse kinematics solutions for most known 7R manipulators using the general SEW angle and the subproblem decomposition method. These solutions are often closed-form but may sometimes involve a 1D or 2D search in the general case. Search-based solutions may be converted to finding zeros of a high-order polynomial. Inverse kinematics solutions, examples, and evaluations are available in a publicly accessible repository.

Printing custom DNA sequences is essential to scientific and biomedical research, but the technology can be used to manufacture plagues as well as cures. Just as ink printers recognize and reject attempts to counterfeit money, DNA synthesizers and assemblers should deny unauthorized requests to make viral DNA that could be used to ignite a pandemic. There are three complications. First, we don't need to quickly update printers to deal with newly discovered currencies, whereas we regularly learn of new viruses and other biological threats. Second, anti-counterfeiting specifications on a local printer can't be extracted and misused by malicious actors, unlike information on biological threats. Finally, any screening must keep the inspected DNA sequences private, as they may constitute valuable trade secrets. Here we describe SecureDNA, a free, privacy-preserving, and fully automated system capable of verifiably screening all DNA synthesis orders of 30+ base pairs against an up-to-date database of hazards, and its operational performance and specificity when applied to 67 million base pairs of DNA synthesized by providers in the United States, Europe, and China.

We present a specific-purpose globalized and preconditioned Newton-CG solver to minimize a metric-aware curved high-order mesh distortion. The solver is specially devised to optimize curved high-order meshes for high polynomial degrees with a target metric featuring non-uniform sizing, high stretching ratios, and curved alignment -- exactly the features that stiffen the optimization problem. To this end, we consider two ingredients: a specific-purpose globalization and a specific-purpose Jacobi-$\text{iLDL}^{\text{T}}(0)$ preconditioning with varying accuracy and curvature tolerances (dynamic forcing terms) for the CG method. These improvements are critical in stiff problems because, without them, the large number of non-linear and linear iterations makes curved optimization impractical. Finally, to analyze the performance of our method, the results compare the specific-purpose solver with standard optimization methods. For this, we measure the matrix-vector products indicating the solver computational cost and the line-search iterations indicating the total amount of objective function evaluations. When we combine the globalization and the linear solver ingredients, we conclude that the specific-purpose Newton-CG solver reduces the total number of matrix-vector products by one order of magnitude. Moreover, the number of non-linear and line-search iterations is mainly smaller but of similar magnitude.

Lattices are architected metamaterials whose properties strongly depend on their geometrical design. The analogy between lattices and graphs enables the use of graph neural networks (GNNs) as a faster surrogate model compared to traditional methods such as finite element modelling. In this work, we generate a big dataset of structure-property relationships for strut-based lattices. The dataset is made available to the community which can fuel the development of methods anchored in physical principles for the fitting of fourth-order tensors. In addition, we present a higher-order GNN model trained on this dataset. The key features of the model are (i) SE(3) equivariance, and (ii) consistency with the thermodynamic law of conservation of energy. We compare the model to non-equivariant models based on a number of error metrics and demonstrate its benefits in terms of predictive performance and reduced training requirements. Finally, we demonstrate an example application of the model to an architected material design task. The methods which we developed are applicable to fourth-order tensors beyond elasticity such as piezo-optical tensor etc.

Coalition logic is a central logic in strategic reasoning studies. In this paper, we first argue that Coalition Logic models, concurrent game models, have three too-strong assumptions. The first one is the independence of agents; that is, the merge of two available joint actions of two disjoint coalitions is always available for the union of the two coalitions. The second one is seriality; that is, coalitions always have available joint actions. The third one is determinism, that is, the grand coalition's joint actions always have a unique outcome. Second, we present a coalition logic based on general concurrent game models, which do not have the three assumptions. We show the completeness of this logic and compare it with Coalition Logic in detail. This logic seems minimal in the context of strategic reasoning.

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.

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