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Unsupervised visual clustering has recently received considerable attention. It aims to explain distributions of unlabeled visual images by clustering them via a parameterized appearance model. From a different perspective, the clustering algorithms can be treated as assignment problems, often NP-hard. They can be solved precisely for small instances on current hardware. Adiabatic quantum computing (AQC) offers a solution, as it can soon provide a considerable speedup on a range of NP-hard optimization problems. However, current clustering formulations are unsuitable for quantum computing due to their scaling properties. Consequently, in this work, we propose the first clustering formulation designed to be solved with AQC. We employ an Ising model representing the quantum mechanical system implemented on the AQC. Our approach is competitive compared to state-of-the-art optimization-based approaches, even using of-the-shelf integer programming solvers. Finally, we demonstrate that our clustering problem is already solvable on the current generation of real quantum computers for small examples and analyze the properties of the measured solutions.

This paper introduces a dynamic logic extension of separation logic. The assertion language of separation logic is extended with modalities for the five types of the basic instructions of separation logic: simple assignment, look-up, mutation, allocation, and de-allocation. The main novelty of the resulting dynamic logic is that it allows to combine different approaches to resolving these modalities. One such approach is based on the standard weakest precondition calculus of separation logic. The other approach introduced in this paper provides a novel alternative formalization in the proposed dynamic logic extension of separation logic. The soundness and completeness of this axiomatization has been formalized in the Coq theorem prover.

In experimental design, Neyman allocation refers to the practice of allocating subjects into treated and control groups, potentially in unequal numbers proportional to their respective standard deviations, with the objective of minimizing the variance of the treatment effect estimator. This widely recognized approach increases statistical power in scenarios where the treated and control groups have different standard deviations, as is often the case in social experiments, clinical trials, marketing research, and online A/B testing. However, Neyman allocation cannot be implemented unless the standard deviations are known in advance. Fortunately, the multi-stage nature of the aforementioned applications allows the use of earlier stage observations to estimate the standard deviations, which further guide allocation decisions in later stages. In this paper, we introduce a competitive analysis framework to study this multi-stage experimental design problem. We propose a simple adaptive Neyman allocation algorithm, which almost matches the information-theoretic limit of conducting experiments. Using online A/B testing data from a social media site, we demonstrate the effectiveness of our adaptive Neyman allocation algorithm, highlighting its practicality even when applied with only a limited number of stages.

Convolutional layers are a fundamental component of most image-related models. These layers often implement by default a static padding policy (\eg zero padding), to control the scale of the internal representations, and to allow kernel activations centered on the border regions. In this work we identify Padding Aware Neurons (PANs), a type of filter that is found in most (if not all) convolutional models trained with static padding. PANs focus on the characterization and recognition of input border location, introducing a spatial inductive bias into the model (e.g., how close to the input's border a pattern typically is). We propose a method to identify PANs through their activations, and explore their presence in several popular pre-trained models, finding PANs on all models explored, from dozens to hundreds. We discuss and illustrate different types of PANs, their kernels and behaviour. To understand their relevance, we test their impact on model performance, and find padding and PANs to induce strong and characteristic biases in the data. Finally, we discuss whether or not PANs are desirable, as well as the potential side effects of their presence in the context of model performance, generalisation, efficiency and safety.

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.

Adversarial attack is a technique for deceiving Machine Learning (ML) models, which provides a way to evaluate the adversarial robustness. In practice, attack algorithms are artificially selected and tuned by human experts to break a ML system. However, manual selection of attackers tends to be sub-optimal, leading to a mistakenly assessment of model security. In this paper, a new procedure called Composite Adversarial Attack (CAA) is proposed for automatically searching the best combination of attack algorithms and their hyper-parameters from a candidate pool of \textbf{32 base attackers}. We design a search space where attack policy is represented as an attacking sequence, i.e., the output of the previous attacker is used as the initialization input for successors. Multi-objective NSGA-II genetic algorithm is adopted for finding the strongest attack policy with minimum complexity. The experimental result shows CAA beats 10 top attackers on 11 diverse defenses with less elapsed time (\textbf{6 $\times$ faster than AutoAttack}), and achieves the new state-of-the-art on $l_{\infty}$, $l_{2}$ and unrestricted adversarial attacks.

Data augmentation has been widely used to improve generalizability of machine learning models. However, comparatively little work studies data augmentation for graphs. This is largely due to the complex, non-Euclidean structure of graphs, which limits possible manipulation operations. Augmentation operations commonly used in vision and language have no analogs for graphs. Our work studies graph data augmentation for graph neural networks (GNNs) in the context of improving semi-supervised node-classification. We discuss practical and theoretical motivations, considerations and strategies for graph data augmentation. Our work shows that neural edge predictors can effectively encode class-homophilic structure to promote intra-class edges and demote inter-class edges in given graph structure, and our main contribution introduces the GAug graph data augmentation framework, which leverages these insights to improve performance in GNN-based node classification via edge prediction. Extensive experiments on multiple benchmarks show that augmentation via GAug improves performance across GNN architectures and datasets.

Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn node representations on the fixed and homogeneous graphs. The limitations especially become problematic when learning representations on a misspecified graph or a heterogeneous graph that consists of various types of nodes and edges. In this paper, we propose Graph Transformer Networks (GTNs) that are capable of generating new graph structures, which involve identifying useful connections between unconnected nodes on the original graph, while learning effective node representation on the new graphs in an end-to-end fashion. Graph Transformer layer, a core layer of GTNs, learns a soft selection of edge types and composite relations for generating useful multi-hop connections so-called meta-paths. Our experiments show that GTNs learn new graph structures, based on data and tasks without domain knowledge, and yield powerful node representation via convolution on the new graphs. Without domain-specific graph preprocessing, GTNs achieved the best performance in all three benchmark node classification tasks against the state-of-the-art methods that require pre-defined meta-paths from domain knowledge.

Attention networks in multimodal learning provide an efficient way to utilize given visual information selectively. However, the computational cost to learn attention distributions for every pair of multimodal input channels is prohibitively expensive. To solve this problem, co-attention builds two separate attention distributions for each modality neglecting the interaction between multimodal inputs. In this paper, we propose bilinear attention networks (BAN) that find bilinear attention distributions to utilize given vision-language information seamlessly. BAN considers bilinear interactions among two groups of input channels, while low-rank bilinear pooling extracts the joint representations for each pair of channels. Furthermore, we propose a variant of multimodal residual networks to exploit eight-attention maps of the BAN efficiently. We quantitatively and qualitatively evaluate our model on visual question answering (VQA 2.0) and Flickr30k Entities datasets, showing that BAN significantly outperforms previous methods and achieves new state-of-the-arts on both datasets.

We investigate a lattice-structured LSTM model for Chinese NER, which encodes a sequence of input characters as well as all potential words that match a lexicon. Compared with character-based methods, our model explicitly leverages word and word sequence information. Compared with word-based methods, lattice LSTM does not suffer from segmentation errors. Gated recurrent cells allow our model to choose the most relevant characters and words from a sentence for better NER results. Experiments on various datasets show that lattice LSTM outperforms both word-based and character-based LSTM baselines, achieving the best results.