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The interpretability of models has become a crucial issue in Machine Learning because of algorithmic decisions' growing impact on real-world applications. Tree ensemble methods, such as Random Forests or XgBoost, are powerful learning tools for classification tasks. However, while combining multiple trees may provide higher prediction quality than a single one, it sacrifices the interpretability property resulting in "black-box" models. In light of this, we aim to develop an interpretable representation of a tree-ensemble model that can provide valuable insights into its behavior. First, given a target tree-ensemble model, we develop a hierarchical visualization tool based on a heatmap representation of the forest's feature use, considering the frequency of a feature and the level at which it is selected as an indicator of importance. Next, we propose a mixed-integer linear programming (MILP) formulation for constructing a single optimal multivariate tree that accurately mimics the target model predictions. The goal is to provide an interpretable surrogate model based on oblique hyperplane splits, which uses only the most relevant features according to the defined forest's importance indicators. The MILP model includes a penalty on feature selection based on their frequency in the forest to further induce sparsity of the splits. The natural formulation has been strengthened to improve the computational performance of {mixed-integer} software. Computational experience is carried out on benchmark datasets from the UCI repository using a state-of-the-art off-the-shelf solver. Results show that the proposed model is effective in yielding a shallow interpretable tree approximating the tree-ensemble decision function.

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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: · 狀態空間 · BASIC · 講稿 · 操作 ·
2024 年 3 月 1 日

We present some basic elements of the theory of generalised Br\`{e}gman relative entropies over nonreflexive Banach spaces. Using nonlinear embeddings of Banach spaces together with the Euler--Legendre functions, this approach unifies two former approaches to Br\`{e}gman relative entropy: one based on reflexive Banach spaces, another based on differential geometry. This construction allows to extend Br\`{e}gman relative entropies, and related geometric and operator structures, to arbitrary-dimensional state spaces of probability, quantum, and postquantum theory. We give several examples, not considered previously in the literature.

Understanding a surgical scene is crucial for computer-assisted surgery systems to provide any intelligent assistance functionality. One way of achieving this scene understanding is via scene segmentation, where every pixel of a frame is classified and therefore identifies the visible structures and tissues. Progress on fully segmenting surgical scenes has been made using machine learning. However, such models require large amounts of annotated training data, containing examples of all relevant object classes. Such fully annotated datasets are hard to create, as every pixel in a frame needs to be annotated by medical experts and, therefore, are rarely available. In this work, we propose a method to combine multiple partially annotated datasets, which provide complementary annotations, into one model, enabling better scene segmentation and the use of multiple readily available datasets. Our method aims to combine available data with complementary labels by leveraging mutual exclusive properties to maximize information. Specifically, we propose to use positive annotations of other classes as negative samples and to exclude background pixels of binary annotations, as we cannot tell if they contain a class not annotated but predicted by the model. We evaluate our method by training a DeepLabV3 on the publicly available Dresden Surgical Anatomy Dataset, which provides multiple subsets of binary segmented anatomical structures. Our approach successfully combines 6 classes into one model, increasing the overall Dice Score by 4.4% compared to an ensemble of models trained on the classes individually. By including information on multiple classes, we were able to reduce confusion between stomach and colon by 24%. Our results demonstrate the feasibility of training a model on multiple datasets. This paves the way for future work further alleviating the need for one large, fully segmented datasets.

We consider the statistical linear inverse problem of making inference on an unknown source function in an elliptic partial differential equation from noisy observations of its solution. We employ nonparametric Bayesian procedures based on Gaussian priors, leading to convenient conjugate formulae for posterior inference. We review recent results providing theoretical guarantees on the quality of the resulting posterior-based estimation and uncertainty quantification, and we discuss the application of the theory to the important classes of Gaussian series priors defined on the Dirichlet-Laplacian eigenbasis and Mat\'ern process priors. We provide an implementation of posterior inference for both classes of priors, and investigate its performance in a numerical simulation study.

We propose and analyse boundary-preserving schemes for the strong approximations of some scalar SDEs with non-globally Lipschitz drift and diffusion coefficients whose state-space is bounded. The schemes consists of a Lamperti transform followed by a Lie--Trotter splitting. We prove $L^{p}(\Omega)$-convergence of order $1$, for every $p \geq 1$, of the schemes and exploit the Lamperti transform to confine the numerical approximations to the state-space of the considered SDE. We provide numerical experiments that confirm the theoretical results and compare the proposed Lamperti-splitting schemes to other numerical schemes for SDEs.

Heuristic tools from statistical physics have been used in the past to locate the phase transitions and compute the optimal learning and generalization errors in the teacher-student scenario in multi-layer neural networks. In this contribution, we provide a rigorous justification of these approaches for a two-layers neural network model called the committee machine. We also introduce a version of the approximate message passing (AMP) algorithm for the committee machine that allows to perform optimal learning in polynomial time for a large set of parameters. We find that there are regimes in which a low generalization error is information-theoretically achievable while the AMP algorithm fails to deliver it, strongly suggesting that no efficient algorithm exists for those cases, and unveiling a large computational gap.

The approach to analysing compositional data has been dominated by the use of logratio transformations, to ensure exact subcompositional coherence and, in some situations, exact isometry as well. A problem with this approach is that data zeros, found in most applications, have to be replaced to allow the logarithmic transformation. An alternative new approach, called the `chiPower' transformation, which allows data zeros, is to combine the standardization inherent in the chi-square distance in correspondence analysis, with the essential elements of the Box-Cox power transformation. The chiPower transformation is justified because it} defines between-sample distances that tend to logratio distances for strictly positive data as the power parameter tends to zero, and are then equivalent to transforming to logratios. For data with zeros, a value of the power can be identified that brings the chiPower transformation as close as possible to a logratio transformation, without having to substitute the zeros. Especially in the area of high-dimensional data, this alternative approach can present such a high level of coherence and isometry as to be a valid approach to the analysis of compositional data. Furthermore, in a supervised learning context, if the compositional variables serve as predictors of a response in a modelling framework, for example generalized linear models, then the power can be used as a tuning parameter in optimizing the accuracy of prediction through cross-validation. The chiPower-transformed variables have a straightforward interpretation, since they are each identified with single compositional parts, not ratios.

Fully decentralized learning is gaining momentum for training AI models at the Internet's edge, addressing infrastructure challenges and privacy concerns. In a decentralized machine learning system, data is distributed across multiple nodes, with each node training a local model based on its respective dataset. The local models are then shared and combined to form a global model capable of making accurate predictions on new data. Our exploration focuses on how different types of network structures influence the spreading of knowledge - the process by which nodes incorporate insights gained from learning patterns in data available on other nodes across the network. Specifically, this study investigates the intricate interplay between network structure and learning performance using three network topologies and six data distribution methods. These methods consider different vertex properties, including degree centrality, betweenness centrality, and clustering coefficient, along with whether nodes exhibit high or low values of these metrics. Our findings underscore the significance of global centrality metrics (degree, betweenness) in correlating with learning performance, while local clustering proves less predictive. We highlight the challenges in transferring knowledge from peripheral to central nodes, attributed to a dilution effect during model aggregation. Additionally, we observe that central nodes exert a pull effect, facilitating the spread of knowledge. In examining degree distribution, hubs in Barabasi-Albert networks positively impact learning for central nodes but exacerbate dilution when knowledge originates from peripheral nodes. Finally, we demonstrate the formidable challenge of knowledge circulation outside of segregated communities.

A new approach is developed for computational modelling of microstructure evolution problems. The approach combines the phase-field method with the recently-developed laminated element technique (LET) which is a simple and efficient method to model weak discontinuities using nonconforming finite-element meshes. The essence of LET is in treating the elements that are cut by an interface as simple laminates of the two phases, and this idea is here extended to propagating interfaces so that the volume fraction of the phases and the lamination orientation vary accordingly. In the proposed LET-PF approach, the phase-field variable (order parameter), which is governed by an evolution equation of the Ginzburg-Landau type, plays the role of a level-set function that implicitly defines the position of the (sharp) interface. The mechanical equilibrium subproblem is then solved using the semisharp LET technique. Performance of LET-PF is illustrated by numerical examples. In particular, it is shown that, for the problems studied, LET-PF exhibits higher accuracy than the conventional phase-field method so that, for instance, qualitatively correct results can be obtained using a significantly coarser mesh, and thus at a lower computational cost.

With advances in scientific computing and mathematical modeling, complex scientific phenomena such as galaxy formations and rocket propulsion can now be reliably simulated. Such simulations can however be very time-intensive, requiring millions of CPU hours to perform. One solution is multi-fidelity emulation, which uses data of different fidelities to train an efficient predictive model which emulates the expensive simulator. For complex scientific problems and with careful elicitation from scientists, such multi-fidelity data may often be linked by a directed acyclic graph (DAG) representing its scientific model dependencies. We thus propose a new Graphical Multi-fidelity Gaussian Process (GMGP) model, which embeds this DAG structure (capturing scientific dependencies) within a Gaussian process framework. We show that the GMGP has desirable modeling traits via two Markov properties, and admits a scalable algorithm for recursive computation of the posterior mean and variance along at each depth level of the DAG. We also present a novel experimental design methodology over the DAG given an experimental budget, and propose a nonlinear extension of the GMGP via deep Gaussian processes. The advantages of the GMGP are then demonstrated via a suite of numerical experiments and an application to emulation of heavy-ion collisions, which can be used to study the conditions of matter in the Universe shortly after the Big Bang. The proposed model has broader uses in data fusion applications with graphical structure, which we further discuss.

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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