Machine learning algorithms often contain many hyperparameters (HPs) whose values affect the predictive performance of the induced models in intricate ways. Due to the high number of possibilities for these HP configurations and their complex interactions, it is common to use optimization techniques to find settings that lead to high predictive performance. However, insights into efficiently exploring this vast space of configurations and dealing with the trade-off between predictive and runtime performance remain challenging. Furthermore, there are cases where the default HPs fit the suitable configuration. Additionally, for many reasons, including model validation and attendance to new legislation, there is an increasing interest in interpretable models, such as those created by the Decision Tree (DT) induction algorithms. This paper provides a comprehensive approach for investigating the effects of hyperparameter tuning for the two DT induction algorithms most often used, CART and C4.5. DT induction algorithms present high predictive performance and interpretable classification models, though many HPs need to be adjusted. Experiments were carried out with different tuning strategies to induce models and to evaluate HPs' relevance using 94 classification datasets from OpenML. The experimental results point out that different HP profiles for the tuning of each algorithm provide statistically significant improvements in most of the datasets for CART, but only in one-third for C4.5. Although different algorithms may present different tuning scenarios, the tuning techniques generally required few evaluations to find accurate solutions. Furthermore, the best technique for all the algorithms was the IRACE. Finally, we found out that tuning a specific small subset of HPs is a good alternative for achieving optimal predictive performance.
相關內容
We investigate various forms of (model-theoretic) stability for hypergraphs and their corresponding strengthenings of the hypergraph regularity lemma with respect to partitions of vertices. On the one hand, we provide a complete classification of the various possibilities in the ternary case. On the other hand, we provide an example of a family of slice-wise stable 3-hypergraphs so that for no partition of the vertices, any triple of parts has density close to 0 or 1. In particular, this addresses some questions and conjectures of Terry and Wolf. We work in the general measure theoretic context of graded probability spaces, so all our results apply both to measures in ultraproducts of finite graphs, leading to the aforementioned combinatorial applications, and to commuting definable Keisler measures, leading to applications in model theory.
We develop new multilevel Monte Carlo (MLMC) methods to estimate the expectation of the smallest eigenvalue of a stochastic convection-diffusion operator with random coefficients. The MLMC method is based on a sequence of finite element (FE) discretizations of the eigenvalue problem on a hierarchy of increasingly finer meshes. For the discretized, algebraic eigenproblems we use both the Rayleigh quotient (RQ) iteration and implicitly restarted Arnoldi (IRA), providing an analysis of the cost in each case. By studying the variance on each level and adapting classical FE error bounds to the stochastic setting, we are able to bound the total error of our MLMC estimator and provide a complexity analysis. As expected, the complexity bound for our MLMC estimator is superior to plain Monte Carlo. To improve the efficiency of the MLMC further, we exploit the hierarchy of meshes and use coarser approximations as starting values for the eigensolvers on finer ones. To improve the stability of the MLMC method for convection-dominated problems, we employ two additional strategies. First, we consider the streamline upwind Petrov--Galerkin formulation of the discrete eigenvalue problem, which allows us to start the MLMC method on coarser meshes than is possible with standard FEs. Second, we apply a homotopy method to add stability to the eigensolver for each sample. Finally, we present a multilevel quasi-Monte Carlo method that replaces Monte Carlo with a quasi-Monte Carlo (QMC) rule on each level. Due to the faster convergence of QMC, this improves the overall complexity. We provide detailed numerical results comparing our different strategies to demonstrate the practical feasibility of the MLMC method in different use cases. The results support our complexity analysis and further demonstrate the superiority over plain Monte Carlo in all cases.
Cycloids are particular Petri nets for modelling processes of actions or events. They belong to the fundaments of Petri's general systems theory and have very different interpretations, ranging from Einstein's relativity theory and elementary information processing gates to the modelling of interacting sequential processes. This article contains previously unpublished proofs of cycloid properties using linear algebra.
Multi-sequence magnetic resonance imaging (MRI) has found wide applications in both modern clinical studies and deep learning research. However, in clinical practice, it frequently occurs that one or more of the MRI sequences are missing due to different image acquisition protocols or contrast agent contraindications of patients, limiting the utilization of deep learning models trained on multi-sequence data. One promising approach is to leverage generative models to synthesize the missing sequences, which can serve as a surrogate acquisition. State-of-the-art methods tackling this problem are based on convolutional neural networks (CNN) which usually suffer from spectral biases, resulting in poor reconstruction of high-frequency fine details. In this paper, we propose Conditional Neural fields with Shift modulation (CoNeS), a model that takes voxel coordinates as input and learns a representation of the target images for multi-sequence MRI translation. The proposed model uses a multi-layer perceptron (MLP) instead of a CNN as the decoder for pixel-to-pixel mapping. Hence, each target image is represented as a neural field that is conditioned on the source image via shift modulation with a learned latent code. Experiments on BraTS 2018 and an in-house clinical dataset of vestibular schwannoma patients showed that the proposed method outperformed state-of-the-art methods for multi-sequence MRI translation both visually and quantitatively. Moreover, we conducted spectral analysis, showing that CoNeS was able to overcome the spectral bias issue common in conventional CNN models. To further evaluate the usage of synthesized images in clinical downstream tasks, we tested a segmentation network using the synthesized images at inference.
We propose a hybrid iterative method based on MIONet for PDEs, which combines the traditional numerical iterative solver and the recent powerful machine learning method of neural operator, and further systematically analyze its theoretical properties, including the convergence condition, the spectral behavior, as well as the convergence rate, in terms of the errors of the discretization and the model inference. We show the theoretical results for the frequently-used smoothers, i.e. Richardson (damped Jacobi) and Gauss-Seidel. We give an upper bound of the convergence rate of the hybrid method w.r.t. the model correction period, which indicates a minimum point to make the hybrid iteration converge fastest. Several numerical examples including the hybrid Richardson (Gauss-Seidel) iteration for the 1-d (2-d) Poisson equation are presented to verify our theoretical results, and also reflect an excellent acceleration effect. As a meshless acceleration method, it is provided with enormous potentials for practice applications.
We develop optimal algorithms for learning undirected Gaussian trees and directed Gaussian polytrees from data. We consider both problems of distribution learning (i.e. in KL distance) and structure learning (i.e. exact recovery). The first approach is based on the Chow-Liu algorithm, and learns an optimal tree-structured distribution efficiently. The second approach is a modification of the PC algorithm for polytrees that uses partial correlation as a conditional independence tester for constraint-based structure learning. We derive explicit finite-sample guarantees for both approaches, and show that both approaches are optimal by deriving matching lower bounds. Additionally, we conduct numerical experiments to compare the performance of various algorithms, providing further insights and empirical evidence.
We provide a new theoretical framework for the variable-step deferred correction (DC) methods based on the well-known BDF2 formula. By using the discrete orthogonal convolution kernels, some high-order BDF2-DC methods are proven to be stable on arbitrary time grids according to the recent definition of stability (SINUM, 60: 2253-2272). It significantly relaxes the existing step-ratio restrictions for the BDF2-DC methods (BIT, 62: 1789-1822). The associated sharp error estimates are established by taking the numerical effects of the starting approximations into account, and they suggest that the BDF2-DC methods have no aftereffect, that is, the lower-order starting scheme for the BDF2 scheme will not cause a loss in the accuracy of the high-order BDF2-DC methods. Extensive tests on the graded and random time meshes are presented to support the new theory.
The deformed energy method has shown to be a good option for dimensional synthesis of mechanisms. In this paper the introduction of some new features to such approach is proposed. First, constraints fixing dimensions of certain links are introduced in the error function of the synthesis problem. Second, requirements on distances between determinate nodes are included in the error function for the analysis of the deformed position problem. Both the overall synthesis error function and the inner analysis error function are optimized using a Sequential Quadratic Problem (SQP) approach. This also reduces the probability of branch or circuit defects. In the case of the inner function analytical derivatives are used, while in the synthesis optimization approximate derivatives have been introduced. Furthermore, constraints are analyzed under two formulations, the Euclidean distance and an alternative approach that uses the previous raised to the power of two. The latter approach is often used in kinematics, and simplifies the computation of derivatives. Some examples are provided to show the convergence order of the error function and the fulfilment of the constraints in both formulations studied under different topological situations or achieved energy levels.
We derive information-theoretic generalization bounds for supervised learning algorithms based on the information contained in predictions rather than in the output of the training algorithm. These bounds improve over the existing information-theoretic bounds, are applicable to a wider range of algorithms, and solve two key challenges: (a) they give meaningful results for deterministic algorithms and (b) they are significantly easier to estimate. We show experimentally that the proposed bounds closely follow the generalization gap in practical scenarios for deep learning.
Graph representation learning for hypergraphs can be used to extract patterns among higher-order interactions that are critically important in many real world problems. Current approaches designed for hypergraphs, however, are unable to handle different types of hypergraphs and are typically not generic for various learning tasks. Indeed, models that can predict variable-sized heterogeneous hyperedges have not been available. Here we develop a new self-attention based graph neural network called Hyper-SAGNN applicable to homogeneous and heterogeneous hypergraphs with variable hyperedge sizes. We perform extensive evaluations on multiple datasets, including four benchmark network datasets and two single-cell Hi-C datasets in genomics. We demonstrate that Hyper-SAGNN significantly outperforms the state-of-the-art methods on traditional tasks while also achieving great performance on a new task called outsider identification. Hyper-SAGNN will be useful for graph representation learning to uncover complex higher-order interactions in different applications.
注冊地址： 北京市海淀區羊坊店路18號2幢3層301-191