Kuiper's $V_n$ statistic, a measure for comparing the difference of ideal distribution and empirical distribution, is of great significance in the goodness-of-fit test. However, Kuiper's formulae for computing the cumulative distribution function, false positive probability and the upper tail quantile of $V_n$can not be applied to the case of small sample capacity $n$ since the approximation error is $\mathcal{O}(n^{-1})$. In this work, our contributions lie in three perspectives: firstly the approximation error is reduced to $\mathcal{O}(n^{-(k+1)/2})$ where $k$ is the expansion order with the \textit{high order expansion} (HOE) for the exponent of differential operator; secondly, a novel high order formula with approximation error $\mathcal{O}(n^{-3})$ is obtained by massive calculations; thirdly, the fixed-point algorithms are designed for solving the Kuiper pair of critical values and upper tail quantiles based on the novel formula. The high order expansion method for Kuiper's $V_n$-statistic is applicable for various applications where there are more than $5$ samples of data. The principles, algorithms and code for the high order expansion method are attractive for the goodness-of-fit test.
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Neoteric works have shown that modern deep learning models can exhibit a sparse double descent phenomenon. Indeed, as the sparsity of the model increases, the test performance first worsens since the model is overfitting the training data; then, the overfitting reduces, leading to an improvement in performance, and finally, the model begins to forget critical information, resulting in underfitting. Such a behavior prevents using traditional early stop criteria. In this work, we have three key contributions. First, we propose a learning framework that avoids such a phenomenon and improves generalization. Second, we introduce an entropy measure providing more insights into the insurgence of this phenomenon and enabling the use of traditional stop criteria. Third, we provide a comprehensive quantitative analysis of contingent factors such as re-initialization methods, model width and depth, and dataset noise. The contributions are supported by empirical evidence in typical setups. Our code is available at //github.com/VGCQ/DSD2.
Stochastic programs where the uncertainty distribution must be inferred from noisy data samples are considered. The stochastic programs are approximated with distributionally-robust optimizations that minimize the worst-case expected cost over ambiguity sets, i.e., sets of distributions that are sufficiently compatible with the observed data. In this paper, the ambiguity sets capture the set of probability distributions whose convolution with the noise distribution remains within a ball centered at the empirical noisy distribution of data samples parameterized by the total variation distance. Using the prescribed ambiguity set, the solutions of the distributionally-robust optimizations converge to the solutions of the original stochastic programs when the numbers of the data samples grow to infinity. Therefore, the proposed distributionally-robust optimization problems are asymptotically consistent. This is proved under the assumption that the distribution of the noise is uniformly diagonally dominant. More importantly, the distributionally-robust optimization problems can be cast as tractable convex optimization problems and are therefore amenable to large-scale stochastic problems.
Krylov subspace, which is generated by multiplying a given vector by the matrix of a linear transformation and its successive powers, has been extensively studied in classical optimization literature to design algorithms that converge quickly for large linear inverse problems. For example, the conjugate gradient method (CG), one of the most popular Krylov subspace methods, is based on the idea of minimizing the residual error in the Krylov subspace. However, with the recent advancement of high-performance diffusion solvers for inverse problems, it is not clear how classical wisdom can be synergistically combined with modern diffusion models. In this study, we propose a novel and efficient diffusion sampling strategy that synergistically combine the diffusion sampling and Krylov subspace methods. Specifically, we prove that if the tangent space at a denoised sample by Tweedie's formula forms a Krylov subspace, then the CG initialized with the denoised data ensures the data consistency update to remain in the tangent space. This negates the need to compute the manifold-constrained gradient (MCG), leading to a more efficient diffusion sampling method. Our method is applicable regardless of the parametrization and setting (i.e., VE, VP). Notably, we achieve state-of-the-art reconstruction quality on challenging real-world medical inverse imaging problems, including multi-coil MRI reconstruction and 3D CT reconstruction. Moreover, our proposed method achieves more than 80 times faster inference time than the previous state-of-the-art method.
A growing body of research on probabilistic programs and causal models has highlighted the need to reason compositionally about model classes that extend directed graphical models. Both probabilistic programs and causal models define a joint probability density over a set of random variables, and exhibit sparse structure that can be used to reason about causation and conditional independence. This work builds on recent work on Markov categories of probabilistic mappings to define a category whose morphisms combine a joint density, factorized over each sample space, with a deterministic mapping from samples to return values. This is a step towards closing the gap between recent category-theoretic descriptions of probability measures, and the operational definitions of factorized densities that are commonly employed in probabilistic programming and causal inference.
Estimating optimal dynamic policies from offline data is a fundamental problem in dynamic decision making. In the context of causal inference, the problem is known as estimating the optimal dynamic treatment regime. Even though there exists a plethora of methods for estimation, constructing confidence intervals for the value of the optimal regime and structural parameters associated with it is inherently harder, as it involves non-linear and non-differentiable functionals of unknown quantities that need to be estimated. Prior work resorted to sub-sample approaches that can deteriorate the quality of the estimate. We show that a simple soft-max approximation to the optimal treatment regime, for an appropriately fast growing temperature parameter, can achieve valid inference on the truly optimal regime. We illustrate our result for a two-period optimal dynamic regime, though our approach should directly extend to the finite horizon case. Our work combines techniques from semi-parametric inference and $g$-estimation, together with an appropriate triangular array central limit theorem, as well as a novel analysis of the asymptotic influence and asymptotic bias of softmax approximations.
Generative models, as an important family of statistical modeling, target learning the observed data distribution via generating new instances. Along with the rise of neural networks, deep generative models, such as variational autoencoders (VAEs) and generative adversarial network (GANs), have made tremendous progress in 2D image synthesis. Recently, researchers switch their attentions from the 2D space to the 3D space considering that 3D data better aligns with our physical world and hence enjoys great potential in practice. However, unlike a 2D image, which owns an efficient representation (i.e., pixel grid) by nature, representing 3D data could face far more challenges. Concretely, we would expect an ideal 3D representation to be capable enough to model shapes and appearances in details, and to be highly efficient so as to model high-resolution data with fast speed and low memory cost. However, existing 3D representations, such as point clouds, meshes, and recent neural fields, usually fail to meet the above requirements simultaneously. In this survey, we make a thorough review of the development of 3D generation, including 3D shape generation and 3D-aware image synthesis, from the perspectives of both algorithms and more importantly representations. We hope that our discussion could help the community track the evolution of this field and further spark some innovative ideas to advance this challenging task.
Graph Neural Networks (GNNs), which generalize deep neural networks to graph-structured data, have drawn considerable attention and achieved state-of-the-art performance in numerous graph related tasks. However, existing GNN models mainly focus on designing graph convolution operations. The graph pooling (or downsampling) operations, that play an important role in learning hierarchical representations, are usually overlooked. In this paper, we propose a novel graph pooling operator, called Hierarchical Graph Pooling with Structure Learning (HGP-SL), which can be integrated into various graph neural network architectures. HGP-SL incorporates graph pooling and structure learning into a unified module to generate hierarchical representations of graphs. More specifically, the graph pooling operation adaptively selects a subset of nodes to form an induced subgraph for the subsequent layers. To preserve the integrity of graph's topological information, we further introduce a structure learning mechanism to learn a refined graph structure for the pooled graph at each layer. By combining HGP-SL operator with graph neural networks, we perform graph level representation learning with focus on graph classification task. Experimental results on six widely used benchmarks demonstrate the effectiveness of our proposed model.
Incompleteness is a common problem for existing knowledge graphs (KGs), and the completion of KG which aims to predict links between entities is challenging. Most existing KG completion methods only consider the direct relation between nodes and ignore the relation paths which contain useful information for link prediction. Recently, a few methods take relation paths into consideration but pay less attention to the order of relations in paths which is important for reasoning. In addition, these path-based models always ignore nonlinear contributions of path features for link prediction. To solve these problems, we propose a novel KG completion method named OPTransE. Instead of embedding both entities of a relation into the same latent space as in previous methods, we project the head entity and the tail entity of each relation into different spaces to guarantee the order of relations in the path. Meanwhile, we adopt a pooling strategy to extract nonlinear and complex features of different paths to further improve the performance of link prediction. Experimental results on two benchmark datasets show that the proposed model OPTransE performs better than state-of-the-art methods.
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.
Recently, graph neural networks (GNNs) have revolutionized the field of graph representation learning through effectively learned node embeddings, and achieved state-of-the-art results in tasks such as node classification and link prediction. However, current GNN methods are inherently flat and do not learn hierarchical representations of graphs---a limitation that is especially problematic for the task of graph classification, where the goal is to predict the label associated with an entire graph. Here we propose DiffPool, a differentiable graph pooling module that can generate hierarchical representations of graphs and can be combined with various graph neural network architectures in an end-to-end fashion. DiffPool learns a differentiable soft cluster assignment for nodes at each layer of a deep GNN, mapping nodes to a set of clusters, which then form the coarsened input for the next GNN layer. Our experimental results show that combining existing GNN methods with DiffPool yields an average improvement of 5-10% accuracy on graph classification benchmarks, compared to all existing pooling approaches, achieving a new state-of-the-art on four out of five benchmark data sets.
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