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Quantified responsibility ascription in complex scenarios is of crucial importance in current debates regarding collective action, for example in the face of various environmental crises. Within this endeavor, we recently proposed considering a probabilistic view of causation, rather than the deterministic views employed in much of the previous formal responsibility literature, and presented a corresponding framework as well as initial candidate functions applicable to a range of scenarios. In the current paper, we extend this contribution by formally evaluating the qualities of proposed functions through an axiomatic approach. First, we decompose responsibility ascription into distinct contributing functions, before defining a number of desirable properties, or axioms, for these. Afterwards we evaluate the proposed functions regarding compliance with these axioms. We find an incompatibility between axioms determining upper and lower bounds in one of the contributing functions, imposing a choice for one variant - upper bound or lower bound. For the other contributing function we are able to axiomatically characterize one specific function. As the previously mentioned incompatibility extends to the combined responsibility function we finally present maximally axiom compliant combined functions for each variant - including the upper bound axiom or including the lower bound axiom.

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Data science has employed great research efforts in developing advanced analytics, improving data models and cultivating new algorithms. However, not many authors have come across the organizational and socio-technical challenges that arise when executing a data science project: lack of vision and clear objectives, a biased emphasis on technical issues, a low level of maturity for ad-hoc projects and the ambiguity of roles in data science are among these challenges. Few methodologies have been proposed on the literature that tackle these type of challenges, some of them date back to the mid-1990, and consequently they are not updated to the current paradigm and the latest developments in big data and machine learning technologies. In addition, fewer methodologies offer a complete guideline across team, project and data & information management. In this article we would like to explore the necessity of developing a more holistic approach for carrying out data science projects. We first review methodologies that have been presented on the literature to work on data science projects and classify them according to the their focus: project, team, data and information management. Finally, we propose a conceptual framework containing general characteristics that a methodology for managing data science projects with a holistic point of view should have. This framework can be used by other researchers as a roadmap for the design of new data science methodologies or the updating of existing ones.

We consider a class of statistical estimation problems in which we are given a random data matrix ${\boldsymbol X}\in {\mathbb R}^{n\times d}$ (and possibly some labels ${\boldsymbol y}\in{\mathbb R}^n$) and would like to estimate a coefficient vector ${\boldsymbol \theta}\in{\mathbb R}^d$ (or possibly a constant number of such vectors). Special cases include low-rank matrix estimation and regularized estimation in generalized linear models (e.g., sparse regression). First order methods proceed by iteratively multiplying current estimates by ${\boldsymbol X}$ or its transpose. Examples include gradient descent or its accelerated variants. Celentano, Montanari, Wu proved that for any constant number of iterations (matrix vector multiplications), the optimal first order algorithm is a specific approximate message passing algorithm (known as `Bayes AMP'). The error of this estimator can be characterized in the high-dimensional asymptotics $n,d\to\infty$, $n/d\to\delta$, and provides a lower bound to the estimation error of any first order algorithm. Here we present a simpler proof of the same result, and generalize it to broader classes of data distributions and of first order algorithms, including algorithms with non-separable nonlinearities. Most importantly, the new proof technique does not require to construct an equivalent tree-structured estimation problem, and is therefore susceptible of a broader range of applications.

$k$-means clustering is a fundamental problem in various disciplines. This problem is nonconvex, and standard algorithms are only guaranteed to find a local optimum. Leveraging the structure of local solutions characterized in [1], we propose a general algorithmic framework for escaping undesirable local solutions and recovering the global solution (or the ground truth). This framework consists of alternating between the following two steps iteratively: (i) detect mis-specified clusters in a local solution and (ii) improve the current local solution by non-local operations. We discuss implementation of these steps, and elucidate how the proposed framework unifies variants of $k$-means algorithm in literature from a geometric perspective. In addition, we introduce two natural extensions of the proposed framework, where the initial number of clusters is misspecified. We provide theoretical justification for our approach, which is corroborated with extensive experiments.

We target open-world feature extrapolation problem where the feature space of input data goes through expansion and a model trained on partially observed features needs to handle new features in test data without further retraining. The problem is of much significance for dealing with features incrementally collected from different fields. To this end, we propose a new learning paradigm with graph representation and learning. Our framework contains two modules: 1) a backbone network (e.g., feedforward neural nets) as a lower model takes features as input and outputs predicted labels; 2) a graph neural network as an upper model learns to extrapolate embeddings for new features via message passing over a feature-data graph built from observed data. Based on our framework, we design two training strategies, a self-supervised approach and an inductive learning approach, to endow the model with extrapolation ability and alleviate feature-level over-fitting. We also provide theoretical analysis on the generalization error on test data with new features, which dissects the impact of training features and algorithms on generalization performance. Our experiments over several classification datasets and large-scale advertisement click prediction datasets demonstrate that our model can produce effective embeddings for unseen features and significantly outperforms baseline methods that adopt KNN and local aggregation.

This book develops an effective theory approach to understanding deep neural networks of practical relevance. Beginning from a first-principles component-level picture of networks, we explain how to determine an accurate description of the output of trained networks by solving layer-to-layer iteration equations and nonlinear learning dynamics. A main result is that the predictions of networks are described by nearly-Gaussian distributions, with the depth-to-width aspect ratio of the network controlling the deviations from the infinite-width Gaussian description. We explain how these effectively-deep networks learn nontrivial representations from training and more broadly analyze the mechanism of representation learning for nonlinear models. From a nearly-kernel-methods perspective, we find that the dependence of such models' predictions on the underlying learning algorithm can be expressed in a simple and universal way. To obtain these results, we develop the notion of representation group flow (RG flow) to characterize the propagation of signals through the network. By tuning networks to criticality, we give a practical solution to the exploding and vanishing gradient problem. We further explain how RG flow leads to near-universal behavior and lets us categorize networks built from different activation functions into universality classes. Altogether, we show that the depth-to-width ratio governs the effective model complexity of the ensemble of trained networks. By using information-theoretic techniques, we estimate the optimal aspect ratio at which we expect the network to be practically most useful and show how residual connections can be used to push this scale to arbitrary depths. With these tools, we can learn in detail about the inductive bias of architectures, hyperparameters, and optimizers.

Query understanding is a fundamental problem in information retrieval (IR), which has attracted continuous attention through the past decades. Many different tasks have been proposed for understanding users' search queries, e.g., query classification or query clustering. However, it is not that precise to understand a search query at the intent class/cluster level due to the loss of many detailed information. As we may find in many benchmark datasets, e.g., TREC and SemEval, queries are often associated with a detailed description provided by human annotators which clearly describes its intent to help evaluate the relevance of the documents. If a system could automatically generate a detailed and precise intent description for a search query, like human annotators, that would indicate much better query understanding has been achieved. In this paper, therefore, we propose a novel Query-to-Intent-Description (Q2ID) task for query understanding. Unlike those existing ranking tasks which leverage the query and its description to compute the relevance of documents, Q2ID is a reverse task which aims to generate a natural language intent description based on both relevant and irrelevant documents of a given query. To address this new task, we propose a novel Contrastive Generation model, namely CtrsGen for short, to generate the intent description by contrasting the relevant documents with the irrelevant documents given a query. We demonstrate the effectiveness of our model by comparing with several state-of-the-art generation models on the Q2ID task. We discuss the potential usage of such Q2ID technique through an example application.

Recently, the state-of-the-art models for image captioning have overtaken human performance based on the most popular metrics, such as BLEU, METEOR, ROUGE, and CIDEr. Does this mean we have solved the task of image captioning? The above metrics only measure the similarity of the generated caption to the human annotations, which reflects its accuracy. However, an image contains many concepts and multiple levels of detail, and thus there is a variety of captions that express different concepts and details that might be interesting for different humans. Therefore only evaluating accuracy is not sufficient for measuring the performance of captioning models --- the diversity of the generated captions should also be considered. In this paper, we proposed a new metric for measuring the diversity of image captions, which is derived from latent semantic analysis and kernelized to use CIDEr similarity. We conduct extensive experiments to re-evaluate recent captioning models in the context of both diversity and accuracy. We find that there is still a large gap between the model and human performance in terms of both accuracy and diversity and the models that have optimized accuracy (CIDEr) have low diversity. We also show that balancing the cross-entropy loss and CIDEr reward in reinforcement learning during training can effectively control the tradeoff between diversity and accuracy of the generated captions.

This paper addresses the problem of formally verifying desirable properties of neural networks, i.e., obtaining provable guarantees that neural networks satisfy specifications relating their inputs and outputs (robustness to bounded norm adversarial perturbations, for example). Most previous work on this topic was limited in its applicability by the size of the network, network architecture and the complexity of properties to be verified. In contrast, our framework applies to a general class of activation functions and specifications on neural network inputs and outputs. We formulate verification as an optimization problem (seeking to find the largest violation of the specification) and solve a Lagrangian relaxation of the optimization problem to obtain an upper bound on the worst case violation of the specification being verified. Our approach is anytime i.e. it can be stopped at any time and a valid bound on the maximum violation can be obtained. We develop specialized verification algorithms with provable tightness guarantees under special assumptions and demonstrate the practical significance of our general verification approach on a variety of verification tasks.

In this paper, we propose a listwise approach for constructing user-specific rankings in recommendation systems in a collaborative fashion. We contrast the listwise approach to previous pointwise and pairwise approaches, which are based on treating either each rating or each pairwise comparison as an independent instance respectively. By extending the work of (Cao et al. 2007), we cast listwise collaborative ranking as maximum likelihood under a permutation model which applies probability mass to permutations based on a low rank latent score matrix. We present a novel algorithm called SQL-Rank, which can accommodate ties and missing data and can run in linear time. We develop a theoretical framework for analyzing listwise ranking methods based on a novel representation theory for the permutation model. Applying this framework to collaborative ranking, we derive asymptotic statistical rates as the number of users and items grow together. We conclude by demonstrating that our SQL-Rank method often outperforms current state-of-the-art algorithms for implicit feedback such as Weighted-MF and BPR and achieve favorable results when compared to explicit feedback algorithms such as matrix factorization and collaborative ranking.

We consider the task of learning the parameters of a {\em single} component of a mixture model, for the case when we are given {\em side information} about that component, we call this the "search problem" in mixture models. We would like to solve this with computational and sample complexity lower than solving the overall original problem, where one learns parameters of all components. Our main contributions are the development of a simple but general model for the notion of side information, and a corresponding simple matrix-based algorithm for solving the search problem in this general setting. We then specialize this model and algorithm to four common scenarios: Gaussian mixture models, LDA topic models, subspace clustering, and mixed linear regression. For each one of these we show that if (and only if) the side information is informative, we obtain parameter estimates with greater accuracy, and also improved computation complexity than existing moment based mixture model algorithms (e.g. tensor methods). We also illustrate several natural ways one can obtain such side information, for specific problem instances. Our experiments on real data sets (NY Times, Yelp, BSDS500) further demonstrate the practicality of our algorithms showing significant improvement in runtime and accuracy.

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