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Verifying the functional correctness of programs with both classical and quantum constructs is a challenging task. The presence of probabilistic behaviour entailed by quantum measurements and unbounded while loops complicate the verification task greatly. We propose a new quantum Hoare logic for local reasoning about probabilistic behaviour by introducing distribution formulas to specify probabilistic properties. We show that the proof rules in the logic are sound with respect to a denotational semantics. To demonstrate the effectiveness of the logic, we formally verify the correctness of non-trivial quantum algorithms including the HHL and Shor's algorithms.

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As machine learning models become more capable, they have exhibited increased potential in solving complex tasks. One of the most promising directions uses deep reinforcement learning to train autonomous agents in computer network defense tasks. This work studies the impact of the reward signal that is provided to the agents when training for this task. Due to the nature of cybersecurity tasks, the reward signal is typically 1) in the form of penalties (e.g., when a compromise occurs), and 2) distributed sparsely across each defense episode. Such reward characteristics are atypical of classic reinforcement learning tasks where the agent is regularly rewarded for progress (cf. to getting occasionally penalized for failures). We investigate reward shaping techniques that could bridge this gap so as to enable agents to train more sample-efficiently and potentially converge to a better performance. We first show that deep reinforcement learning algorithms are sensitive to the magnitude of the penalties and their relative size. Then, we combine penalties with positive external rewards and study their effect compared to penalty-only training. Finally, we evaluate intrinsic curiosity as an internal positive reward mechanism and discuss why it might not be as advantageous for high-level network monitoring tasks.

We present a comprehensive programme analysing the decomposition of proof systems for non-classical logics into proof systems for other logics, especially classical logic, using an algebra of constraints. That is, one recovers a proof system for a target logic by enriching a proof system for another, typically simpler, logic with an algebra of constraints that act as correctness conditions on the latter to capture the former; for example, one may use Boolean algebra to give constraints in a sequent calculus for classical propositional logic to produce a sequent calculus for intuitionistic propositional logic. The idea behind such forms of reduction is to obtain a tool for uniform and modular treatment of proof theory and provide a bridge between semantics logics and their proof theory. The article discusses the theoretical background of the project and provides several illustrations of its work in the field of intuitionistic and modal logics. The results include the following: a uniform treatment of modular and cut-free proof systems for a large class of propositional logics; a general criterion for a novel approach to soundness and completeness of a logic with respect to a model-theoretic semantics; and, a case study deriving a model-theoretic semantics from a proof-theoretic specification of a logic.

Data contamination has become prevalent and challenging with the rise of models pretrained on large automatically-crawled corpora. For closed models, the training data becomes a trade secret, and even for open models, it is not trivial to detect contamination. Strategies such as leaderboards with hidden answers, or using test data which is guaranteed to be unseen, are expensive and become fragile with time. Assuming that all relevant actors value clean test data and will cooperate to mitigate data contamination, what can be done? We propose three strategies that can make a difference: (1) Test data made public should be encrypted with a public key and licensed to disallow derivative distribution; (2) demand training exclusion controls from closed API holders, and protect your test data by refusing to evaluate without them; (3) avoid data which appears with its solution on the internet, and release the web-page context of internet-derived data along with the data. These strategies are practical and can be effective in preventing data contamination.

While classical scaling, just like principal component analysis, is parameter-free, other methods for embedding multivariate data require the selection of one or several tuning parameters. This tuning can be difficult due to the unsupervised nature of the situation. We propose a simple, almost obvious, approach to supervise the choice of tuning parameter(s): minimize a notion of stress. We apply this approach to the selection of the patch size in a prototypical patch-stitching embedding method, both in the multidimensional scaling (aka network localization) setting and in the dimensionality reduction (aka manifold learning) setting. In our study, we uncover a new bias--variance tradeoff phenomenon.

As artificial intelligence (AI) models continue to scale up, they are becoming more capable and integrated into various forms of decision-making systems. For models involved in moral decision-making, also known as artificial moral agents (AMA), interpretability provides a way to trust and understand the agent's internal reasoning mechanisms for effective use and error correction. In this paper, we provide an overview of this rapidly-evolving sub-field of AI interpretability, introduce the concept of the Minimum Level of Interpretability (MLI) and recommend an MLI for various types of agents, to aid their safe deployment in real-world settings.

The existence of representative datasets is a prerequisite of many successful artificial intelligence and machine learning models. However, the subsequent application of these models often involves scenarios that are inadequately represented in the data used for training. The reasons for this are manifold and range from time and cost constraints to ethical considerations. As a consequence, the reliable use of these models, especially in safety-critical applications, is a huge challenge. Leveraging additional, already existing sources of knowledge is key to overcome the limitations of purely data-driven approaches, and eventually to increase the generalization capability of these models. Furthermore, predictions that conform with knowledge are crucial for making trustworthy and safe decisions even in underrepresented scenarios. This work provides an overview of existing techniques and methods in the literature that combine data-based models with existing knowledge. The identified approaches are structured according to the categories integration, extraction and conformity. Special attention is given to applications in the field of autonomous driving.

Commonsense causality reasoning (CCR) aims at identifying plausible causes and effects in natural language descriptions that are deemed reasonable by an average person. Although being of great academic and practical interest, this problem is still shadowed by the lack of a well-posed theoretical framework; existing work usually relies on deep language models wholeheartedly, and is potentially susceptible to confounding co-occurrences. Motivated by classical causal principles, we articulate the central question of CCR and draw parallels between human subjects in observational studies and natural languages to adopt CCR to the potential-outcomes framework, which is the first such attempt for commonsense tasks. We propose a novel framework, ROCK, to Reason O(A)bout Commonsense K(C)ausality, which utilizes temporal signals as incidental supervision, and balances confounding effects using temporal propensities that are analogous to propensity scores. The ROCK implementation is modular and zero-shot, and demonstrates good CCR capabilities on various datasets.

Traffic forecasting is an important factor for the success of intelligent transportation systems. Deep learning models including convolution neural networks and recurrent neural networks have been applied in traffic forecasting problems to model the spatial and temporal dependencies. In recent years, to model the graph structures in the transportation systems as well as the contextual information, graph neural networks (GNNs) are introduced as new tools and have achieved the state-of-the-art performance in a series of traffic forecasting problems. In this survey, we review the rapidly growing body of recent research using different GNNs, e.g., graph convolutional and graph attention networks, in various traffic forecasting problems, e.g., road traffic flow and speed forecasting, passenger flow forecasting in urban rail transit systems, demand forecasting in ride-hailing platforms, etc. We also present a collection of open data and source resources for each problem, as well as future research directions. To the best of our knowledge, this paper is the first comprehensive survey that explores the application of graph neural networks for traffic forecasting problems. We have also created a public Github repository to update the latest papers, open data and source resources.

It is important to detect anomalous inputs when deploying machine learning systems. The use of larger and more complex inputs in deep learning magnifies the difficulty of distinguishing between anomalous and in-distribution examples. At the same time, diverse image and text data are available in enormous quantities. We propose leveraging these data to improve deep anomaly detection by training anomaly detectors against an auxiliary dataset of outliers, an approach we call Outlier Exposure (OE). This enables anomaly detectors to generalize and detect unseen anomalies. In extensive experiments on natural language processing and small- and large-scale vision tasks, we find that Outlier Exposure significantly improves detection performance. We also observe that cutting-edge generative models trained on CIFAR-10 may assign higher likelihoods to SVHN images than to CIFAR-10 images; we use OE to mitigate this issue. We also analyze the flexibility and robustness of Outlier Exposure, and identify characteristics of the auxiliary dataset that improve performance.

Dynamic programming (DP) solves a variety of structured combinatorial problems by iteratively breaking them down into smaller subproblems. In spite of their versatility, DP algorithms are usually non-differentiable, which hampers their use as a layer in neural networks trained by backpropagation. To address this issue, we propose to smooth the max operator in the dynamic programming recursion, using a strongly convex regularizer. This allows to relax both the optimal value and solution of the original combinatorial problem, and turns a broad class of DP algorithms into differentiable operators. Theoretically, we provide a new probabilistic perspective on backpropagating through these DP operators, and relate them to inference in graphical models. We derive two particular instantiations of our framework, a smoothed Viterbi algorithm for sequence prediction and a smoothed DTW algorithm for time-series alignment. We showcase these instantiations on two structured prediction tasks and on structured and sparse attention for neural machine translation.

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