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Numerical predictions of quantities of interest measured within physical systems rely on the use of mathematical models that should be validated, or at best, not invalidated. Model validation usually involves the comparison of experimental data (outputs from the system of interest) and model predictions, both obtained at a specific validation scenario. The design of this validation experiment should be directly relevant to the objective of the model, that of predicting a quantity of interest at a prediction scenario. In this paper, we address two specific issues arising when designing validation experiments. The first issue consists in determining an appropriate validation scenario in cases where the prediction scenario cannot be carried out in a controlled environment. The second issue concerns the selection of observations when the quantity of interest cannot be readily observed. The proposed methodology involves the computation of influence matrices that characterize the response surface of given model functionals. Minimization of the distance between influence matrices allow one for selecting a validation experiment most representative of the prediction scenario. We illustrate our approach on two numerical examples. The first example considers the validation of a simple model based on an ordinary differential equation governing an object in free fall to put in evidence the importance of the choice of the validation experiment. The second numerical experiment focuses on the transport of a pollutant and demonstrates the impact that the choice of the quantity of interest has on the validation experiment to be performed.

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ACM/IEEE第23屆模型驅動工程語言和系統國際會議,是模型驅動軟件和系統工程的首要會議系列,由ACM-SIGSOFT和IEEE-TCSE支持組織。自1998年以來,模型涵蓋了建模的各個方面,從語言和方法到工具和應用程序。模特的參加者來自不同的背景,包括研究人員、學者、工程師和工業專業人士。MODELS 2019是一個論壇,參與者可以圍繞建模和模型驅動的軟件和系統交流前沿研究成果和創新實踐經驗。今年的版本將為建模社區提供進一步推進建模基礎的機會,并在網絡物理系統、嵌入式系統、社會技術系統、云計算、大數據、機器學習、安全、開源等新興領域提出建模的創新應用以及可持續性。 官網鏈接: · 再參數化/重參數化 · 賭博機/老虎機 · MoDELS · 情景 ·
2023 年 5 月 1 日

Performative prediction, as introduced by Perdomo et al. (2020), is a framework for studying social prediction in which the data distribution itself changes in response to the deployment of a model. Existing work on optimizing accuracy in this setting hinges on two assumptions that are easily violated in practice: that the performative risk is convex over the deployed model, and that the mapping from the model to the data distribution is known to the model designer in advance. In this paper, we initiate the study of tractable performative prediction problems that do not require these assumptions. To tackle this more challenging setting, we develop a two-level zeroth-order optimization algorithm, where one level aims to compute the distribution map, and the other level reparameterizes the performative prediction objective as a function of the induced data distribution. Under mild conditions, this reparameterization allows us to transform the non-convex objective into a convex one and achieve provable regret guarantees. In particular, we provide a regret bound that is sublinear in the total number of performative samples taken and only polynomial in the dimension of the model parameter.

Homomorphic encryption (HE), which allows computations on encrypted data, is an enabling technology for confidential cloud computing. One notable example is privacy-preserving Prediction-as-a-Service (PaaS), where machine-learning predictions are computed on encrypted data. However, developing HE-based solutions for encrypted PaaS is a tedious task which requires a careful design that predominantly depends on the deployment scenario and on leveraging the characteristics of modern HE schemes. Prior works on privacy-preserving PaaS focus solely on protecting the confidentiality of the client data uploaded to a remote model provider, e.g., a cloud offering a prediction API, and assume (or take advantage of the fact) that the model is held in plaintext. Furthermore, their aim is to either minimize the latency of the service by processing one sample at a time, or to maximize the number of samples processed per second, while processing a fixed (large) number of samples. In this work, we present slytHErin, an agile framework that enables privacy-preserving PaaS beyond the application scenarios considered in prior works. Thanks to its hybrid design leveraging HE and its multiparty variant (MHE), slytHErin enables novel PaaS scenarios by encrypting the data, the model or both. Moreover, slytHErin features a flexible input data packing approach that allows processing a batch of an arbitrary number of samples, and several computation optimizations that are model-and-setting-agnostic. slytHErin is implemented in Go and it allows end-users to perform encrypted PaaS on custom deep learning models comprising fully-connected, convolutional, and pooling layers, in a few lines of code and without having to worry about the cumbersome implementation and optimization concerns inherent to HE.

Recent years have seen tremendous advances in the theory and application of sequential experiments. While these experiments are not always designed with hypothesis testing in mind, researchers may still be interested in performing tests after the experiment is completed. The purpose of this paper is to aid in the development of optimal tests for sequential experiments by analyzing their asymptotic properties. Our key finding is that the asymptotic power function of any test can be matched by a test in a limit experiment where a Gaussian process is observed for each treatment, and inference is made for the drifts of these processes. This result has important implications, including a powerful sufficiency result: any candidate test only needs to rely on a fixed set of statistics, regardless of the type of sequential experiment. These statistics are the number of times each treatment has been sampled by the end of the experiment, along with final value of the score (for parametric models) or efficient influence function (for non-parametric models) process for each treatment. We then characterize asymptotically optimal tests under various restrictions such as unbiasedness, \alpha-spending constraints etc. Finally, we apply our our results to three key classes of sequential experiments: costly sampling, group sequential trials, and bandit experiments, and show how optimal inference can be conducted in these scenarios.

According to ICH Q8 guidelines, the biopharmaceutical manufacturer submits a design space (DS) definition as part of the regulatory approval application, in which case process parameter (PP) deviations within this space are not considered a change and do not trigger a regulatory post approval procedure. A DS can be described by non-linear PP ranges, i.e., the range of one PP conditioned on specific values of another. However, independent PP ranges (linear combinations) are often preferred in biopharmaceutical manufacturing due to their operation simplicity. While some statistical software supports the calculation of a DS comprised of linear combinations, such methods are generally based on discretizing the parameter space - an approach that scales poorly as the number of PPs increases. Here, we introduce a novel method for finding linear PP combinations using a numeric optimizer to calculate the largest design space within the parameter space that results in critical quality attribute (CQA) boundaries within acceptance criteria, predicted by a regression model. A precomputed approximation of tolerance intervals is used in inequality constraints to facilitate fast evaluations of this boundary using a single matrix multiplication. Correctness of the method was validated against different ground truths with known design spaces. Compared to stateof-the-art, grid-based approaches, the optimizer-based procedure is more accurate, generally yields a larger DS and enables the calculation in higher dimensions. Furthermore, a proposed weighting scheme can be used to favor certain PPs over others and therefore enabling a more dynamic approach to DS definition and exploration. The increased PP ranges of the larger DS provide greater operational flexibility for biopharmaceutical manufacturers.

Data valuation is a powerful framework for providing statistical insights into which data are beneficial or detrimental to model training. Many Shapley-based data valuation methods have shown promising results in various downstream tasks, however, they are well known to be computationally challenging as it requires training a large number of models. As a result, it has been recognized as infeasible to apply to large datasets. To address this issue, we propose Data-OOB, a new data valuation method for a bagging model that utilizes the out-of-bag estimate. The proposed method is computationally efficient and can scale to millions of data by reusing trained weak learners. Specifically, Data-OOB takes less than 2.25 hours on a single CPU processor when there are $10^6$ samples to evaluate and the input dimension is 100. Furthermore, Data-OOB has solid theoretical interpretations in that it identifies the same important data point as the infinitesimal jackknife influence function when two different points are compared. We conduct comprehensive experiments using 12 classification datasets, each with thousands of sample sizes. We demonstrate that the proposed method significantly outperforms existing state-of-the-art data valuation methods in identifying mislabeled data and finding a set of helpful (or harmful) data points, highlighting the potential for applying data values in real-world applications.

Knowledge graphs represent factual knowledge about the world as relationships between concepts and are critical for intelligent decision making in enterprise applications. New knowledge is inferred from the existing facts in the knowledge graphs by encoding the concepts and relations into low-dimensional feature vector representations. The most effective representations for this task, called Knowledge Graph Embeddings (KGE), are learned through neural network architectures. Due to their impressive predictive performance, they are increasingly used in high-impact domains like healthcare, finance and education. However, are the black-box KGE models adversarially robust for use in domains with high stakes? This thesis argues that state-of-the-art KGE models are vulnerable to data poisoning attacks, that is, their predictive performance can be degraded by systematically crafted perturbations to the training knowledge graph. To support this argument, two novel data poisoning attacks are proposed that craft input deletions or additions at training time to subvert the learned model's performance at inference time. These adversarial attacks target the task of predicting the missing facts in knowledge graphs using KGE models, and the evaluation shows that the simpler attacks are competitive with or outperform the computationally expensive ones. The thesis contributions not only highlight and provide an opportunity to fix the security vulnerabilities of KGE models, but also help to understand the black-box predictive behaviour of KGE models.

The accurate and interpretable prediction of future events in time-series data often requires the capturing of representative patterns (or referred to as states) underpinning the observed data. To this end, most existing studies focus on the representation and recognition of states, but ignore the changing transitional relations among them. In this paper, we present evolutionary state graph, a dynamic graph structure designed to systematically represent the evolving relations (edges) among states (nodes) along time. We conduct analysis on the dynamic graphs constructed from the time-series data and show that changes on the graph structures (e.g., edges connecting certain state nodes) can inform the occurrences of events (i.e., time-series fluctuation). Inspired by this, we propose a novel graph neural network model, Evolutionary State Graph Network (EvoNet), to encode the evolutionary state graph for accurate and interpretable time-series event prediction. Specifically, Evolutionary State Graph Network models both the node-level (state-to-state) and graph-level (segment-to-segment) propagation, and captures the node-graph (state-to-segment) interactions over time. Experimental results based on five real-world datasets show that our approach not only achieves clear improvements compared with 11 baselines, but also provides more insights towards explaining the results of event predictions.

Recently, neural networks have been widely used in e-commerce recommender systems, owing to the rapid development of deep learning. We formalize the recommender system as a sequential recommendation problem, intending to predict the next items that the user might be interacted with. Recent works usually give an overall embedding from a user's behavior sequence. However, a unified user embedding cannot reflect the user's multiple interests during a period. In this paper, we propose a novel controllable multi-interest framework for the sequential recommendation, called ComiRec. Our multi-interest module captures multiple interests from user behavior sequences, which can be exploited for retrieving candidate items from the large-scale item pool. These items are then fed into an aggregation module to obtain the overall recommendation. The aggregation module leverages a controllable factor to balance the recommendation accuracy and diversity. We conduct experiments for the sequential recommendation on two real-world datasets, Amazon and Taobao. Experimental results demonstrate that our framework achieves significant improvements over state-of-the-art models. Our framework has also been successfully deployed on the offline Alibaba distributed cloud platform.

This paper proposes a recommender system to alleviate the cold-start problem that can estimate user preferences based on only a small number of items. To identify a user's preference in the cold state, existing recommender systems, such as Netflix, initially provide items to a user; we call those items evidence candidates. Recommendations are then made based on the items selected by the user. Previous recommendation studies have two limitations: (1) the users who consumed a few items have poor recommendations and (2) inadequate evidence candidates are used to identify user preferences. We propose a meta-learning-based recommender system called MeLU to overcome these two limitations. From meta-learning, which can rapidly adopt new task with a few examples, MeLU can estimate new user's preferences with a few consumed items. In addition, we provide an evidence candidate selection strategy that determines distinguishing items for customized preference estimation. We validate MeLU with two benchmark datasets, and the proposed model reduces at least 5.92% mean absolute error than two comparative models on the datasets. We also conduct a user study experiment to verify the evidence selection strategy.

In order to answer natural language questions over knowledge graphs, most processing pipelines involve entity and relation linking. Traditionally, entity linking and relation linking has been performed either as dependent sequential tasks or independent parallel tasks. In this paper, we propose a framework called "EARL", which performs entity linking and relation linking as a joint single task. EARL uses a graph connection based solution to the problem. We model the linking task as an instance of the Generalised Travelling Salesman Problem (GTSP) and use GTSP approximate algorithm solutions. We later develop EARL which uses a pair-wise graph-distance based solution to the problem.The system determines the best semantic connection between all keywords of the question by referring to a knowledge graph. This is achieved by exploiting the "connection density" between entity candidates and relation candidates. The "connection density" based solution performs at par with the approximate GTSP solution.We have empirically evaluated the framework on a dataset with 5000 questions. Our system surpasses state-of-the-art scores for entity linking task by reporting an accuracy of 0.65 to 0.40 from the next best entity linker.

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