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Without well-labeled ground truth data, machine learning-based systems would not be as ubiquitous as they are today, but these systems rely on substantial amounts of correctly labeled data. Unfortunately, crowdsourced labeling is time consuming and expensive. To address the concerns of effort and tedium, we designed CAL, a novel interface to aid in data labeling. We made several key design decisions for CAL, which include preventing inapt labels from being selected, guiding users in selecting an appropriate label when they need assistance, incorporating labeling documentation into the interface, and providing an efficient means to view previous labels. We implemented a production-quality implementation of CAL and report a user-study evaluation that compares CAL to a standard spreadsheet. Key findings of our study include users using CAL reported lower cognitive load, did not increase task time, users rated CAL to be easier to use, and users preferred CAL over the spreadsheet.

Classification is essential to the applications in the field of data mining, artificial intelligence, and fault detection. There exists a strong need in developing accurate, suitable, and efficient classification methods and algorithms with broad applicability. Random forest is a general algorithm that is often used for classification under complex conditions. Although it has been widely adopted, its combination with diverse fuzzy theory is still worth exploring. In this paper, we propose the intuitionistic fuzzy random forest (IFRF), a new random forest ensemble of intuitionistic fuzzy decision trees (IFDT). Such trees in forest use intuitionistic fuzzy information gain to select features and consider hesitation in information transmission. The proposed method enjoys the power of the randomness from bootstrapped sampling and feature selection, the flexibility of fuzzy logic and fuzzy sets, and the robustness of multiple classifier systems. Extensive experiments demonstrate that the IFRF has competitative and superior performance compared to other state-of-the-art fuzzy and ensemble algorithms. IFDT is more suitable for ensemble learning with outstanding classification accuracy. This study is the first to propose a random forest ensemble based on the intuitionistic fuzzy theory.

Scheduling distributed applications modeled as directed, acyclic task graphs to run on heterogeneous compute networks is a fundamental (NP-Hard) problem in distributed computing for which many heuristic algorithms have been proposed over the past decades. Many of these algorithms fall under the list-scheduling paradigm, whereby the algorithm first computes priorities for the tasks and then schedules them greedily to the compute node that minimizes some cost function. Thus, many algorithms differ from each other only in a few key components (e.g., the way they prioritize tasks, their cost functions, where the algorithms consider inserting tasks into a partially complete schedule, etc.). In this paper, we propose a generalized parametric list-scheduling algorithm that allows mixing and matching different algorithmic components to produce 72 unique algorithms. We benchmark these algorithms on four datasets to study the individual and combined effects of different algorithmic components on performance and runtime.

In the context of an increasing popularity of data-driven models to represent dynamical systems, many machine learning-based implementations of the Koopman operator have recently been proposed. However, the vast majority of those works are limited to deterministic predictions, while the knowledge of uncertainty is critical in fields like meteorology and climatology. In this work, we investigate the training of ensembles of models to produce stochastic outputs. We show through experiments on real remote sensing image time series that ensembles of independently trained models are highly overconfident and that using a training criterion that explicitly encourages the members to produce predictions with high inter-model variances greatly improves the uncertainty quantification of the ensembles.

In the past few years, there has been an explosive surge in the use of machine learning (ML) techniques to address combinatorial optimization (CO) problems, especially mixed-integer linear programs (MILPs). Despite the achievements, the limited availability of real-world instances often leads to sub-optimal decisions and biased solver assessments, which motivates a suite of synthetic MILP instance generation techniques. However, existing methods either rely heavily on expert-designed formulations or struggle to capture the rich features of real-world instances. To tackle this problem, we propose G2MILP, the first deep generative framework for MILP instances. Specifically, G2MILP represents MILP instances as bipartite graphs, and applies a masked variational autoencoder to iteratively corrupt and replace parts of the original graphs to generate new ones. The appealing feature of G2MILP is that it can learn to generate novel and realistic MILP instances without prior expert-designed formulations, while preserving the structures and computational hardness of real-world datasets, simultaneously. Thus the generated instances can facilitate downstream tasks for enhancing MILP solvers under limited data availability. We design a suite of benchmarks to evaluate the quality of the generated MILP instances. Experiments demonstrate that our method can produce instances that closely resemble real-world datasets in terms of both structures and computational hardness. The deliverables are released at //miralab-ustc.github.io/L2O-G2MILP.

High-dimensional sparse data emerge in many critical application domains such as cybersecurity, healthcare, anomaly detection, and trend analysis. To quickly extract meaningful insights from massive volumes of these multi-dimensional data, scientists employ unsupervised analysis tools based on tensor decomposition (TD) methods. However, real-world sparse tensors exhibit highly irregular shapes, data distributions, and sparsity, which pose significant challenges for making efficient use of modern parallel architectures. This study breaks the prevailing assumption that compressing sparse tensors into coarse-grained structures (i.e., tensor slices or blocks) or along a particular dimension/mode (i.e., mode-specific) is more efficient than keeping them in a fine-grained, mode-agnostic form. Our novel sparse tensor representation, Adaptive Linearized Tensor Order (ALTO), encodes tensors in a compact format that can be easily streamed from memory and is amenable to both caching and parallel execution. To demonstrate the efficacy of ALTO, we accelerate popular TD methods that compute the Canonical Polyadic Decomposition (CPD) model across a range of real-world sparse tensors. Additionally, we characterize the major execution bottlenecks of TD methods on multiple generations of the latest Intel Xeon Scalable processors, including Sapphire Rapids CPUs, and introduce dynamic adaptation heuristics to automatically select the best algorithm based on the sparse tensor characteristics. Across a diverse set of real-world data sets, ALTO outperforms the state-of-the-art approaches, achieving more than an order-of-magnitude speedup over the best mode-agnostic formats. Compared to the best mode-specific formats, which require multiple tensor copies, ALTO achieves more than 5.1x geometric mean speedup at a fraction (25%) of their storage.

In recent years, there has been widespread adoption of machine learning-based approaches to automate the solving of partial differential equations (PDEs). Among these approaches, Gaussian processes (GPs) and kernel methods have garnered considerable interest due to their flexibility, robust theoretical guarantees, and close ties to traditional methods. They can transform the solving of general nonlinear PDEs into solving quadratic optimization problems with nonlinear, PDE-induced constraints. However, the complexity bottleneck lies in computing with dense kernel matrices obtained from pointwise evaluations of the covariance kernel, and its \textit{partial derivatives}, a result of the PDE constraint and for which fast algorithms are scarce. The primary goal of this paper is to provide a near-linear complexity algorithm for working with such kernel matrices. We present a sparse Cholesky factorization algorithm for these matrices based on the near-sparsity of the Cholesky factor under a novel ordering of pointwise and derivative measurements. The near-sparsity is rigorously justified by directly connecting the factor to GP regression and exponential decay of basis functions in numerical homogenization. We then employ the Vecchia approximation of GPs, which is optimal in the Kullback-Leibler divergence, to compute the approximate factor. This enables us to compute $\epsilon$-approximate inverse Cholesky factors of the kernel matrices with complexity $O(N\log^d(N/\epsilon))$ in space and $O(N\log^{2d}(N/\epsilon))$ in time. We integrate sparse Cholesky factorizations into optimization algorithms to obtain fast solvers of the nonlinear PDE. We numerically illustrate our algorithm's near-linear space/time complexity for a broad class of nonlinear PDEs such as the nonlinear elliptic, Burgers, and Monge-Amp\`ere equations.

The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.

Analyzing observational data from multiple sources can be useful for increasing statistical power to detect a treatment effect; however, practical constraints such as privacy considerations may restrict individual-level information sharing across data sets. This paper develops federated methods that only utilize summary-level information from heterogeneous data sets. Our federated methods provide doubly-robust point estimates of treatment effects as well as variance estimates. We derive the asymptotic distributions of our federated estimators, which are shown to be asymptotically equivalent to the corresponding estimators from the combined, individual-level data. We show that to achieve these properties, federated methods should be adjusted based on conditions such as whether models are correctly specified and stable across heterogeneous data sets.

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.