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In analyzing complex datasets, it is often of interest to infer lower dimensional structure underlying the higher dimensional observations. As a flexible class of nonlinear structures, it is common to focus on Riemannian manifolds. Most existing manifold learning algorithms replace the original data with lower dimensional coordinates without providing an estimate of the manifold in the observation space or using the manifold to denoise the original data. This article proposes a new methodology for addressing these problems, allowing interpolation of the estimated manifold between fitted data points. The proposed approach is motivated by novel theoretical properties of local covariance matrices constructed from noisy samples on a manifold. Our results enable us to turn a global manifold reconstruction problem into a local regression problem, allowing application of Gaussian processes for probabilistic manifold reconstruction. In addition to theory justifying the algorithm, we provide simulated and real data examples to illustrate the performance.

This article derives closed-form parametric formulas for the Minkowski sums of convex bodies in d-dimensional Euclidean space with boundaries that are smooth and have all positive sectional curvatures at every point. Under these conditions, there is a unique relationship between the position of each boundary point and the surface normal. The main results are presented as two theorems. The first theorem directly parameterizes the Minkowski sums using the unit normal vector at each surface point. Although simple to express mathematically, such a parameterization is not always practical to obtain computationally. Therefore, the second theorem derives a more useful parametric closed-form expression using the gradient that is not normalized. In the special case of two ellipsoids, the proposed expressions are identical to those derived previously using geometric interpretations. In order to examine the results, numerical validations and comparisons of the Minkowski sums between two superquadric bodies are conducted. Applications to generate configuration space obstacles in motion planning problems and to improve optimization-based collision detection algorithms are introduced and demonstrated.

For smooth finite fields $F_q$ (i.e., when $q-1$ factors into small primes) the Fast Fourier Transform (FFT) leads to the fastest known algebraic algorithms for many basic polynomial operations, such as multiplication, division, interpolation and multi-point evaluation. However, the same operations over fields with no smooth order root of unity suffer from an asymptotic slowdown. The classical algorithm of Schonhage and Strassen incurred a multiplicative slowdown factor of $\log \log n$ on top of the smooth case. Recent remarkable results of Harvey, van der Hoeven and Lecerf dramatically reduced this multiplicative overhead to $\exp(\log^* (n))$. We introduce a new approach to fast algorithms for polynomial operations over all large finite fields. The key idea is to replace the group of roots of unity with a set of points $L \subset F$ suitably related to a well-chosen elliptic curve group (the set $L$ itself is not a group). The key advantage of this approach is that elliptic curve groups can be of any size in the Hasse-Weil interval $[q+1 \pm 2\sqrt{q}]$ and thus can have subgroups of large, smooth order, which an FFT-like divide and conquer algorithm can exploit. Compare this with multiplicative subgroups over whose order must divide $q-1$. For polynomials represented by their evaluation over subsets of $L$, we show that multiplication, division, degree-computation, interpolation, evaluation and Reed-Solomon encoding (also known as low-degree extension) with fixed evaluation points can all be computed with arithmetic circuits of size similar to what is achievable with the classical FFTs when the field size is special. For several problems, this yields the asymptotically smallest known arithmetic circuits even in the standard monomial representation of polynomials.

The inductive biases of graph representation learning algorithms are often encoded in the background geometry of their embedding space. In this paper, we show that general directed graphs can be effectively represented by an embedding model that combines three components: a pseudo-Riemannian metric structure, a non-trivial global topology, and a unique likelihood function that explicitly incorporates a preferred direction in embedding space. We demonstrate the representational capabilities of this method by applying it to the task of link prediction on a series of synthetic and real directed graphs from natural language applications and biology. In particular, we show that low-dimensional cylindrical Minkowski and anti-de Sitter spacetimes can produce equal or better graph representations than curved Riemannian manifolds of higher dimensions.

The area of Data Analytics on graphs promises a paradigm shift as we approach information processing of classes of data, which are typically acquired on irregular but structured domains (social networks, various ad-hoc sensor networks). Yet, despite its long history, current approaches mostly focus on the optimization of graphs themselves, rather than on directly inferring learning strategies, such as detection, estimation, statistical and probabilistic inference, clustering and separation from signals and data acquired on graphs. To fill this void, we first revisit graph topologies from a Data Analytics point of view, and establish a taxonomy of graph networks through a linear algebraic formalism of graph topology (vertices, connections, directivity). This serves as a basis for spectral analysis of graphs, whereby the eigenvalues and eigenvectors of graph Laplacian and adjacency matrices are shown to convey physical meaning related to both graph topology and higher-order graph properties, such as cuts, walks, paths, and neighborhoods. Next, to illustrate estimation strategies performed on graph signals, spectral analysis of graphs is introduced through eigenanalysis of mathematical descriptors of graphs and in a generic way. Finally, a framework for vertex clustering and graph segmentation is established based on graph spectral representation (eigenanalysis) which illustrates the power of graphs in various data association tasks. The supporting examples demonstrate the promise of Graph Data Analytics in modeling structural and functional/semantic inferences. At the same time, Part I serves as a basis for Part II and Part III which deal with theory, methods and applications of processing Data on Graphs and Graph Topology Learning from data.

Knowledge graphs capture structured information and relations between a set of entities or items. As such they represent an attractive source of information that could help improve recommender systems. However existing approaches in this domain rely on manual feature engineering and do not allow for end-to-end training. Here we propose knowledge-aware graph neural networks with label smoothness regularization to provide better recommendations. Conceptually, our approach computes user-specific item embeddings by first applying a trainable function that identifies important knowledge graph relationships for a given user. This way we transform the knowledge graph into a user-specific weighted graph and then applies a graph neural network to compute personalized item embeddings. To provide better inductive bias, we use label smoothness, which assumes that adjacent items in the knowledge graph are likely to have similar user relevance labels/scores. Label smoothness provides regularization over edge weights and we prove that it is equivalent to a label propagation scheme on a graph. Finally, we combine knowledge-aware graph neural networks and label smoothness and present the unified model. Experiment results show that our method outperforms strong baselines in four datasets. It also achieves strong performance in the scenario where user-item interactions are sparse.

Graph Convolutional Networks (GCNs) have proved to be a most powerful architecture in aggregating local neighborhood information for individual graph nodes. Low-rank proximities and node features are successfully leveraged in existing GCNs, however, attributes that graph links may carry are commonly ignored, as almost all of these models simplify graph links into binary or scalar values describing node connectedness. In our paper instead, links are reverted to hypostatic relationships between entities with descriptional attributes. We propose GCN-LASE (GCN with Link Attributes and Sampling Estimation), a novel GCN model taking both node and link attributes as inputs. To adequately captures the interactions between link and node attributes, their tensor product is used as neighbor features, based on which we define several graph kernels and further develop according architectures for LASE. Besides, to accelerate the training process, the sum of features in entire neighborhoods are estimated through Monte Carlo method, with novel sampling strategies designed for LASE to minimize the estimation variance. Our experiments show that LASE outperforms strong baselines over various graph datasets, and further experiments corroborate the informativeness of link attributes and our model's ability of adequately leveraging them.

Network embedding aims to learn a latent, low-dimensional vector representations of network nodes, effective in supporting various network analytic tasks. While prior arts on network embedding focus primarily on preserving network topology structure to learn node representations, recently proposed attributed network embedding algorithms attempt to integrate rich node content information with network topological structure for enhancing the quality of network embedding. In reality, networks often have sparse content, incomplete node attributes, as well as the discrepancy between node attribute feature space and network structure space, which severely deteriorates the performance of existing methods. In this paper, we propose a unified framework for attributed network embedding-attri2vec-that learns node embeddings by discovering a latent node attribute subspace via a network structure guided transformation performed on the original attribute space. The resultant latent subspace can respect network structure in a more consistent way towards learning high-quality node representations. We formulate an optimization problem which is solved by an efficient stochastic gradient descent algorithm, with linear time complexity to the number of nodes. We investigate a series of linear and non-linear transformations performed on node attributes and empirically validate their effectiveness on various types of networks. Another advantage of attri2vec is its ability to solve out-of-sample problems, where embeddings of new coming nodes can be inferred from their node attributes through the learned mapping function. Experiments on various types of networks confirm that attri2vec is superior to state-of-the-art baselines for node classification, node clustering, as well as out-of-sample link prediction tasks. The source code of this paper is available at //github.com/daokunzhang/attri2vec.

Item-based Collaborative Filtering(short for ICF) has been widely adopted in recommender systems in industry, owing to its strength in user interest modeling and ease in online personalization. By constructing a user's profile with the items that the user has consumed, ICF recommends items that are similar to the user's profile. With the prevalence of machine learning in recent years, significant processes have been made for ICF by learning item similarity (or representation) from data. Nevertheless, we argue that most existing works have only considered linear and shallow relationship between items, which are insufficient to capture the complicated decision-making process of users. In this work, we propose a more expressive ICF solution by accounting for the nonlinear and higher-order relationship among items. Going beyond modeling only the second-order interaction (e.g. similarity) between two items, we additionally consider the interaction among all interacted item pairs by using nonlinear neural networks. Through this way, we can effectively model the higher-order relationship among items, capturing more complicated effects in user decision-making. For example, it can differentiate which historical itemsets in a user's profile are more important in affecting the user to make a purchase decision on an item. We treat this solution as a deep variant of ICF, thus term it as DeepICF. To justify our proposal, we perform empirical studies on two public datasets from MovieLens and Pinterest. Extensive experiments verify the highly positive effect of higher-order item interaction modeling with nonlinear neural networks. Moreover, we demonstrate that by more fine-grained second-order interaction modeling with attention network, the performance of our DeepICF method can be further improved.

Spectral graph convolutional neural networks (CNNs) require approximation to the convolution to alleviate the computational complexity, resulting in performance loss. This paper proposes the topology adaptive graph convolutional network (TAGCN), a novel graph convolutional network defined in the vertex domain. We provide a systematic way to design a set of fixed-size learnable filters to perform convolutions on graphs. The topologies of these filters are adaptive to the topology of the graph when they scan the graph to perform convolution. The TAGCN not only inherits the properties of convolutions in CNN for grid-structured data, but it is also consistent with convolution as defined in graph signal processing. Since no approximation to the convolution is needed, TAGCN exhibits better performance than existing spectral CNNs on a number of data sets and is also computationally simpler than other recent methods.