Multivariate histograms are difficult to construct due to the curse of dimensionality. Motivated by $k$-d trees in computer science, we show how to construct an efficient data-adaptive partition of Euclidean space that possesses the following two properties: With high confidence the distribution from which the data are generated is close to uniform on each rectangle of the partition; and despite the data-dependent construction we can give guaranteed finite sample simultaneous confidence intervals for the probabilities (and hence for the average densities) of each rectangle in the partition. This partition will automatically adapt to the sizes of the regions where the distribution is close to uniform. The methodology produces confidence intervals whose widths depend only on the probability content of the rectangles and not on the dimensionality of the space, thus avoiding the curse of dimensionality. Moreover, the widths essentially match the optimal widths in the univariate setting. The simultaneous validity of the confidence intervals allows to use this construction, which we call {\sl Beta-trees}, for various data-analytic purposes. We illustrate this by using Beta-trees for visualizing data and for multivariate mode-hunting.
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The numerical solution of continuum damage mechanics (CDM) problems suffers from convergence-related challenges during the material softening stage, and consequently existing iterative solvers are subject to a trade-off between computational expense and solution accuracy. In this work, we present a novel unified arc-length (UAL) method, and we derive the formulation of the analytical tangent matrix and governing system of equations for both local and non-local gradient damage problems. Unlike existing versions of arc-length solvers that monolithically scale the external force vector, the proposed method treats the latter as an independent variable and determines the position of the system on the equilibrium path based on all the nodal variations of the external force vector. This approach renders the proposed solver substantially more efficient and robust than existing solvers used in CDM problems. We demonstrate the considerable advantages of the proposed algorithm through several benchmark 1D problems with sharp snap-backs and 2D examples under various boundary conditions and loading scenarios. The proposed UAL approach exhibits a superior ability of overcoming critical increments along the equilibrium path. Moreover, the proposed UAL method is 1-2 orders of magnitude faster than force-controlled arc-length and monolithic Newton-Raphson solvers.
The reconstruction kernel in computed tomography (CT) generation determines the texture of the image. Consistency in reconstruction kernels is important as the underlying CT texture can impact measurements during quantitative image analysis. Harmonization (i.e., kernel conversion) minimizes differences in measurements due to inconsistent reconstruction kernels. Existing methods investigate harmonization of CT scans in single or multiple manufacturers. However, these methods require paired scans of hard and soft reconstruction kernels that are spatially and anatomically aligned. Additionally, a large number of models need to be trained across different kernel pairs within manufacturers. In this study, we adopt an unpaired image translation approach to investigate harmonization between and across reconstruction kernels from different manufacturers by constructing a multipath cycle generative adversarial network (GAN). We use hard and soft reconstruction kernels from the Siemens and GE vendors from the National Lung Screening Trial dataset. We use 50 scans from each reconstruction kernel and train a multipath cycle GAN. To evaluate the effect of harmonization on the reconstruction kernels, we harmonize 50 scans each from Siemens hard kernel, GE soft kernel and GE hard kernel to a reference Siemens soft kernel (B30f) and evaluate percent emphysema. We fit a linear model by considering the age, smoking status, sex and vendor and perform an analysis of variance (ANOVA) on the emphysema scores. Our approach minimizes differences in emphysema measurement and highlights the impact of age, sex, smoking status and vendor on emphysema quantification.
Over the last two decades, the field of geometric curve evolutions has attracted significant attention from scientific computing. One of the most popular numerical methods for solving geometric flows is the so-called BGN scheme, which was proposed by Barrett, Garcke, and Nurnberg (J. Comput. Phys., 222 (2007), pp. 441{467), due to its favorable properties (e.g., its computational efficiency and the good mesh property). However, the BGN scheme is limited to first-order accuracy in time, and how to develop a higher-order numerical scheme is challenging. In this paper, we propose a fully discrete, temporal second-order parametric finite element method, which incorporates a mesh regularization technique when necessary, for solving geometric flows of curves. The scheme is constructed based on the BGN formulation and a semi-implicit Crank-Nicolson leap-frog time stepping discretization as well as a linear finite element approximation in space. More importantly, we point out that the shape metrics, such as manifold distance and Hausdorff distance, instead of function norms, should be employed to measure numerical errors. Extensive numerical experiments demonstrate that the proposed BGN-based scheme is second-order accurate in time in terms of shape metrics. Moreover, by employing the classical BGN scheme as a mesh regularization technique when necessary, our proposed second-order scheme exhibits good properties with respect to the mesh distribution.
This paper studies the extreme singular values of non-harmonic Fourier matrices. Such a matrix of size $m\times s$ can be written as $\Phi=[ e^{-2\pi i j x_k}]_{j=0,1,\dots,m-1, k=1,2,\dots,s}$ for some set $\mathcal{X}=\{x_k\}_{k=1}^s$. The main results provide explicit lower bounds for the smallest singular value of $\Phi$ under the assumption $m\geq 6s$ and without any restrictions on $\mathcal{X}$. They show that for an appropriate scale $\tau$ determined by a density criteria, interactions between elements in $\mathcal{X}$ at scales smaller than $\tau$ are most significant and depends on the multiscale structure of $\mathcal{X}$ at fine scales, while distances larger than $\tau$ are less important and only depend on the local sparsity of the far away points. Theoretical and numerical comparisons show that the main results significantly improve upon classical bounds and achieve the same rate that was previously discovered for more restrictive settings.
Decision trees are widely used in machine learning due to their simplicity in construction and interpretability. However, as data sizes grow, traditional methods for constructing and retraining decision trees become increasingly slow, scaling polynomially with the number of training examples. In this work, we introduce a novel quantum algorithm, named Des-q, for constructing and retraining decision trees in regression and binary classification tasks. Assuming the data stream produces small increments of new training examples, we demonstrate that our Des-q algorithm significantly reduces the time required for tree retraining, achieving a poly-logarithmic time complexity in the number of training examples, even accounting for the time needed to load the new examples into quantum-accessible memory. Our approach involves building a decision tree algorithm to perform k-piecewise linear tree splits at each internal node. These splits simultaneously generate multiple hyperplanes, dividing the feature space into k distinct regions. To determine the k suitable anchor points for these splits, we develop an efficient quantum-supervised clustering method, building upon the q-means algorithm of Kerenidis et al. Des-q first efficiently estimates each feature weight using a novel quantum technique to estimate the Pearson correlation. Subsequently, we employ weighted distance estimation to cluster the training examples in k disjoint regions and then proceed to expand the tree using the same procedure. We benchmark the performance of the simulated version of our algorithm against the state-of-the-art classical decision tree for regression and binary classification on multiple data sets with numerical features. Further, we showcase that the proposed algorithm exhibits similar performance to the state-of-the-art decision tree while significantly speeding up the periodic tree retraining.
We consider a sharp interface formulation for the multi-phase Mullins-Sekerka flow. The flow is characterized by a network of curves evolving such that the total surface energy of the curves is reduced, while the areas of the enclosed phases are conserved. Making use of a variational formulation, we introduce a fully discrete finite element method. Our discretization features a parametric approximation of the moving interfaces that is independent of the discretization used for the equations in the bulk. The scheme can be shown to be unconditionally stable and to satisfy an exact volume conservation property. Moreover, an inherent tangential velocity for the vertices on the discrete curves leads to asymptotically equidistributed vertices, meaning no remeshing is necessary in practice. Several numerical examples, including a convergence experiment for the three-phase Mullins-Sekerka flow, demonstrate the capabilities of the introduced method.
A set of vertices of a graph $G$ is said to be decycling if its removal leaves an acyclic subgraph. The size of a smallest decycling set is the decycling number of $G$. Generally, at least $\lceil(n+2)/4\rceil$ vertices have to be removed in order to decycle a cubic graph on $n$ vertices. In 1979, Payan and Sakarovitch proved that the decycling number of a cyclically $4$-edge-connected cubic graph of order $n$ equals $\lceil (n+2)/4\rceil$. In addition, they characterised the structure of minimum decycling sets and their complements. If $n\equiv 2\pmod4$, then $G$ has a decycling set which is independent and its complement induces a tree. If $n\equiv 0\pmod4$, then one of two possibilities occurs: either $G$ has an independent decycling set whose complement induces a forest of two trees, or the decycling set is near-independent (which means that it induces a single edge) and its complement induces a tree. In this paper we strengthen the result of Payan and Sakarovitch by proving that the latter possibility (a near-independent set and a tree) can always be guaranteed. Moreover, we relax the assumption of cyclic $4$-edge-connectivity to a significantly weaker condition expressed through the canonical decomposition of 3-connected cubic graphs into cyclically $4$-edge-connected ones. Our methods substantially use a surprising and seemingly distant relationship between the decycling number and the maximum genus of a cubic graph.
We make two contributions to the Isolation Forest method for anomaly and outlier detection. The first contribution is an information-theoretically motivated generalisation of the score function that is used to aggregate the scores across random tree estimators. This generalisation allows one to take into account not just the ensemble average across trees but instead the whole distribution. The second contribution is an alternative scoring function at the level of the individual tree estimator, in which we replace the depth-based scoring of the Isolation Forest with one based on hyper-volumes associated to an isolation tree's leaf nodes. We motivate the use of both of these methods on generated data and also evaluate them on 34 datasets from the recent and exhaustive ``ADBench'' benchmark, finding significant improvement over the standard isolation forest for both variants on some datasets and improvement on average across all datasets for one of the two variants. The code to reproduce our results is made available as part of the submission.
We propose an approach to compute inner and outer-approximations of the sets of values satisfying constraints expressed as arbitrarily quantified formulas. Such formulas arise for instance when specifying important problems in control such as robustness, motion planning or controllers comparison. We propose an interval-based method which allows for tractable but tight approximations. We demonstrate its applicability through a series of examples and benchmarks using a prototype implementation.
The remarkable practical success of deep learning has revealed some major surprises from a theoretical perspective. In particular, simple gradient methods easily find near-optimal solutions to non-convex optimization problems, and despite giving a near-perfect fit to training data without any explicit effort to control model complexity, these methods exhibit excellent predictive accuracy. We conjecture that specific principles underlie these phenomena: that overparametrization allows gradient methods to find interpolating solutions, that these methods implicitly impose regularization, and that overparametrization leads to benign overfitting. We survey recent theoretical progress that provides examples illustrating these principles in simpler settings. We first review classical uniform convergence results and why they fall short of explaining aspects of the behavior of deep learning methods. We give examples of implicit regularization in simple settings, where gradient methods lead to minimal norm functions that perfectly fit the training data. Then we review prediction methods that exhibit benign overfitting, focusing on regression problems with quadratic loss. For these methods, we can decompose the prediction rule into a simple component that is useful for prediction and a spiky component that is useful for overfitting but, in a favorable setting, does not harm prediction accuracy. We focus specifically on the linear regime for neural networks, where the network can be approximated by a linear model. In this regime, we demonstrate the success of gradient flow, and we consider benign overfitting with two-layer networks, giving an exact asymptotic analysis that precisely demonstrates the impact of overparametrization. We conclude by highlighting the key challenges that arise in extending these insights to realistic deep learning settings.
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