Uniform and Non-Uniform Sampling Methods for Sub-Linear Time K-Means Clustering

Yuanhang Ren, Ye Du

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Auto-TLDR; Sub-linear Time Clustering with Constant Approximation Ratio for K-Means Problem

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The $k$-means problem is arguably the most well-known clustering problem in machine learning, and lots of approximation algorithms have been proposed for it. However, many of these algorithms may become infeasible when data is huge. Sub-linear time algorithms with constant approximation ratios are desirable in this scenario. In this paper, we first improve the analysis of the algorithm proposed by \cite{Mohan:2017:BNA:3172077.3172235} by sharpening the approximation ratio from $4(\alpha+\beta)$ to $\alpha+\beta$. Moreover, on mild assumptions of the data, a constant approximation ratio can be achieved in poly-logarithmic time by the algorithm. Furthermore, we propose a novel sub-linear time clustering algorithm called {\it Double-K-M$\text{C}^2$ sampling} as well. Experiments on the data clustering task and the image segmentation task have validated the effectiveness of our algorithms.

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Hamed Jalali, Gjergji Kasneci

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Auto-TLDR; A novel approach for aggregating the Gaussian experts by detecting strong violations of conditional independence

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Distributed Gaussian processes (DGPs) are prominent local approximation methods to scale Gaussian processes (GPs) to large datasets. Instead of a global estimation, they train local experts by dividing the training set into subsets, thus reducing the time complexity. This strategy is based on the conditional independence assumption, which basically means that there is a perfect diversity between the local experts. In practice, however, this assumption is often violated, and the aggregation of experts leads to sub-optimal and inconsistent solutions. In this paper, we propose a novel approach for aggregating the Gaussian experts by detecting strong violations of conditional independence. The dependency between experts is determined by using a Gaussian graphical model, which yields the precision matrix. The precision matrix encodes conditional dependencies between experts and is used to detect strongly dependent experts and construct an improved aggregation. Using both synthetic and real datasets, our experimental evaluations illustrate that our new method outperforms other state-of-the-art (SOTA) DGP approaches while being substantially more time-efficient than SOTA approaches, which build on independent experts.

Low-Cost Lipschitz-Independent Adaptive Importance Sampling of Stochastic Gradients

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Auto-TLDR; Adaptive Importance Sampling for Stochastic Gradient Descent

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Stochastic gradient descent (SGD) usually samples training data based on the uniform distribution, which may not be a good choice because of the high variance of its stochastic gradient. Thus, importance sampling methods are considered in the literature to improve the performance. Most previous work on SGD-based methods with importance sampling requires the knowledge of Lipschitz constants of all component gradients, which are in general difficult to estimate. In this paper, we study an adaptive importance sampling method for common SGD-based methods by exploiting the local first-order information without knowing any Lipschitz constants. In particular, we periodically changes the sampling distribution by only utilizing the gradient norms in the past few iterations. We prove that our adaptive importance sampling non-asymptotically reduces the variance of the stochastic gradients in SGD, and thus better convergence bounds than that for vanilla SGD can be obtained. We extend this sampling method to several other widely used stochastic gradient algorithms including SGD with momentum and ADAM. Experiments on common convex learning problems and deep neural networks illustrate notably enhanced performance using the adaptive sampling strategy.

Cluster-Size Constrained Network Partitioning

Maksim Mironov, Konstantin Avrachenkov

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Auto-TLDR; Unsupervised Graph Clustering with Stochastic Block Model

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In this paper we consider a graph clustering problem with a given number of clusters and approximate desired sizes of the clusters. One possible motivation for such task could be the problem of databases or servers allocation within several given large computational clusters, where we want related objects to share the same cluster in order to minimize latency and transaction costs. This task differs from the original community detection problem, though we adopt some ideas from Glauber Dynamics and Label Propagation Algorithm. At the same time we consider no additional information about node labels, so the task has nature of unsupervised learning. We propose an algorithm for the problem, show that it works well for a large set of parameters of Stochastic Block Model (SBM) and theoretically show its running time complexity for achieving almost exact recovery is of $O(n\cdot\deg_{av} \cdot \omega )$ for the mean-field SBM with $\omega$ tending to infinity arbitrary slow. Other significant advantage of the proposed approach is its local nature, which means it can be efficiently distributed with no scheduling or synchronization.

Scalable Direction-Search-Based Approach to Subspace Clustering

Yicong He, George Atia

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Auto-TLDR; Fast Direction-Search-Based Subspace Clustering

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Subspace clustering finds a multi-subspace representation that best fits a high-dimensional dataset. The computational and storage complexities of existing algorithms limit their usefulness for large scale data. In this paper, we develop a novel scalable approach to subspace clustering termed Fast Direction-Search-Based Subspace Clustering (Fast DiSC). In sharp contrast to existing scalable solutions which are mostly based on the self-expressiveness property of the data, Fast DiSC rests upon a new representation obtained from projections on computed data-dependent directions. These directions are derived from a convex formulation for optimal direction search to gauge hidden similarity relations. The computational complexity is significantly reduced by performing direction search in partitions of sampled data, followed by a retrieval step to cluster out-of-sample data using projections on the computed directions. A theoretical analysis underscores the ability of the proposed formulation to construct local similarity relations for the different data points. Experiments on both synthetic and real data demonstrate that the proposed algorithm can often outperform the state-of-the-art clustering methods.

Wasserstein k-Means with Sparse Simplex Projection

Takumi Fukunaga, Hiroyuki Kasai

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Auto-TLDR; SSPW $k$-means: Sparse Simplex Projection-based Wasserstein $ k$-Means Algorithm

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This paper presents a proposal of a faster Wasserstein $k$-means algorithm for histogram data by reducing Wasserstein distance computations exploiting sparse simplex projection. We shrink data samples, centroids and ground cost matrix, which enables significant reduction of the computations to solve optimal transport problems without loss of clustering quality. Furthermore, we dynamically reduce computational complexity by removing lower-valued data samples harnessing sparse simplex projection while keeping degradation of clustering quality lower. We designate this proposed algorithm as sparse simplex projection-based Wasserstein $k$-means, for short, SSPW $k$-means. Numerical evaluations against Wasserstein $k$-means algorithm demonstrate the effectiveness of the proposed SSPW $k$-means on real-world datasets.

Constrained Spectral Clustering Network with Self-Training

Xinyue Liu, Shichong Yang, Linlin Zong

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Auto-TLDR; Constrained Spectral Clustering Network: A Constrained Deep spectral clustering network

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Deep spectral clustering networks have shown their superiorities due to the integration of feature learning and cluster assignment, and the ability to deal with non-convex clusters. Nevertheless, deep spectral clustering is still an ill-posed problem. Specifically, the affinity learned by the most remarkable SpectralNet is not guaranteed to be consistent with local invariance and thus hurts the final clustering performance. In this paper, we propose a novel framework of Constrained Spectral Clustering Network (CSCN) by incorporating pairwise constraints and clustering oriented fine-tuning to deal with the ill-posedness. To the best of our knowledge, this is the first constrained deep spectral clustering method. Another advantage of CSCN over existing constrained deep clustering networks is that it propagates pairwise constraints throughout the entire dataset. In addition, we design a clustering oriented loss by self-training to simultaneously finetune feature representations and perform cluster assignments, which further improve the quality of clustering. Extensive experiments on benchmark datasets demonstrate that our approach outperforms the state-of-the-art clustering methods.

On Learning Random Forests for Random Forest Clustering

Manuele Bicego, Francisco Escolano

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Auto-TLDR; Learning Random Forests for Clustering

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In this paper we study the poorly investigated problem of learning Random Forests for distance-based Random Forest clustering. We studied both classic schemes as well as alternative approaches, novel in this context. In particular, we investigated the suitability of Gaussian Density Forests, Random Forests specifically designed for density estimation. Further, we introduce a novel variant of Random Forest, based on an effective non parametric by-pass estimator of the Renyi entropy, which can be useful when the parametric assumption is too strict. An empirical evaluation involving different datasets and different RF-clustering strategies confirms that the learning step is crucial for RF-clustering. We also present a set of practical guidelines useful to determine the most suitable variant of RF-clustering according to the problem under examination.

Adaptive Sampling of Pareto Frontiers with Binary Constraints Using Regression and Classification

Raoul Heese, Michael Bortz

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Auto-TLDR; Adaptive Optimization for Black-Box Multi-Objective Optimizing Problems with Binary Constraints

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We present a novel adaptive optimization algorithm for black-box multi-objective optimization problems with binary constraints on the foundation of Bayes optimization. Our method is based on probabilistic regression and classification models, which act as a surrogate for the optimization goals and allow us to suggest multiple design points at once in each iteration. The proposed acquisition function is intuitively understandable and can be tuned to the demands of the problems at hand. We also present a novel ellipsoid truncation method to speed up the expected hypervolume calculation in a straightfoward way for regression models with a normal probability density. We benchmark our approach with an evolutionary algorithm on multiple test problems.

A Multi-Task Multi-View Based Multi-Objective Clustering Algorithm

Sayantan Mitra, Sriparna Saha

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Auto-TLDR; MTMV-MO: Multi-task multi-view multi-objective optimization for multi-task clustering

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In recent years, multi-view multi-task clustering has received much attention. There are several real-life problems that involve both multi-view clustering and multi-task clustering, i.e., the tasks are closely related, and each task can be analyzed using multiple views. Traditional multi-task multi-view clustering algorithms use single-objective optimization-based approaches and cannot apply too-many regularization terms. However, these problems are inherently some multi-objective optimization problems because conflict may be between different views within a given task and also between different tasks, necessitating a trade-off. Based on these observations, in this paper, we have proposed a novel multi-task multi-view multi-objective optimization (MTMV-MO) algorithm which simultaneously optimizes three objectives, i.e., within-view task relation, within-task view relation and the quality of the clusters obtained. The proposed methodology (MTMV-MO) is evaluated on four different datasets and the results are compared with five state-of-the-art algorithms in terms of Adjusted Rand Index (ARI) and Classification Accuracy (%CoA). MTMV-MO illustrates an improvement of 1.5-2% in terms of ARI and 4-5% in terms of %CoA compared to the state-of-the-art algorithms.

Sketch-Based Community Detection Via Representative Node Sampling

Mahlagha Sedghi, Andre Beckus, George Atia

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Auto-TLDR; Sketch-based Clustering of Community Detection Using a Small Sketch

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Classification and Feature Selection Using a Primal-Dual Method and Projections on Structured Constraints

Michel Barlaud, Antonin Chambolle, Jean_Baptiste Caillau

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Auto-TLDR; A Constrained Primal-dual Method for Structured Feature Selection on High Dimensional Data

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This paper deals with feature selection using supervised classification on high dimensional datasets. A classical approach is to project data on a low dimensional space and classify by minimizing an appropriate quadratic cost. Our first contribution is to introduce a matrix of centers in the definition of this cost. Moreover, as quadratic costs are not robust to outliers, we propose to use an $\ell_1$ cost instead (or Huber loss to mitigate overfitting issues). While control on sparsity is commonly obtained by adding an $\ell_1$ constraint on the vectorized matrix of weights used for projecting the data, our second contribution is to enforce structured sparsity. To this end we propose constraints that take into account the matrix structure of the data, based either on the nuclear norm, on the $\ell_{2,1}$ norm, or on the $\ell_{1,2}$ norm for which we provide a new projection algorithm. We optimize simultaneously the projection matrix and the matrix of centers thanks to a new tailored constrained primal-dual method. The primal-dual framework is general enough to encompass the various robust losses and structured constraints we use, and allows a convergence analysis. We demonstrate the effectiveness of the approach on three biological datasets. Our primal-dual method with robust losses, adaptive centers and structured constraints does significantly better than classical methods, both in terms of accuracy and computational time.

RNN Training along Locally Optimal Trajectories via Frank-Wolfe Algorithm

Yun Yue, Ming Li, Venkatesh Saligrama, Ziming Zhang

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Auto-TLDR; Frank-Wolfe Algorithm for Efficient Training of RNNs

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We propose a novel and efficient training method for RNNs by iteratively seeking a local minima on the loss surface within a small region, and leverage this directional vector for the update, in an outer-loop. We propose to utilize the Frank-Wolfe (FW) algorithm in this context. Although, FW implicitly involves normalized gradients, which can lead to a slow convergence rate, we develop a novel RNN training method that, surprisingly, even with the additional cost, the overall training cost is empirically observed to be lower than back-propagation. Our method leads to a new Frank-Wolfe method, that is in essence an SGD algorithm with a restart scheme. We prove that under certain conditions our algorithm has a sublinear convergence rate of $O(1/\epsilon)$ for $\epsilon$ error. We then conduct empirical experiments on several benchmark datasets including those that exhibit long-term dependencies, and show significant performance improvement. We also experiment with deep RNN architectures and show efficient training performance. Finally, we demonstrate that our training method is robust to noisy data.

Exact and Convergent Iterative Methods to Compute the Orthogonal Point-To-Ellipse Distance

Siyu Guo, Pingping Hu, Zhigang Ling, He Wen, Min Liu, Lu Tang

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Auto-TLDR; Convergent iterative algorithm for orthogonal distance based ellipse fitting

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Computation of the orthogonal distance from a given point to an ellipse is the basis of orthogonal distance based ellipse fitting methods. The problem of this orthogonal distance and the corresponding orthogonal contacting point on the ellipse is investigated, and two algorithms, the exact one and the convergent iterative one, are proposed. The exact algorithm utilizes the closed form solution of quartic equations, but is numerically unstable. The iterative algorithm, however, uses Newton’s method to solve the equation, and starts from an initial solution that is proven to lead to a convergent iteration. The proposed algorithms are compared in experiments with an existing rival. Although the rival algorithm is slightly faster and more accurate in realistic scenarios, divergence is likely to occur. On the other hand, both our exact and iterative algorithms can reliably produce the solution needed. While the exact algorithm encounters numeric instability, the iterative algorithm is only slightly outperformed by the existing rival in speed and accuracy, but at the same time provides more reliable computation process, thus making it a preferable method for the task.

A Multilinear Sampling Algorithm to Estimate Shapley Values

Ramin Okhrati, Aldo Lipani

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Auto-TLDR; A sampling method for Shapley values for multilayer Perceptrons

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Shapley values are great analytical tools in game theory to measure the importance of a player in a game. Due to their axiomatic and desirable properties such as efficiency, they have become popular for feature importance analysis in data science and machine learning. However, the time complexity to compute Shapley values based on the original formula is exponential, and as the number of features increases, this becomes infeasible. Castro et al. [1] developed a sampling algorithm, to estimate Shapley values. In this work, we propose a new sampling method based on a multilinear extension technique as applied in game theory. The aim is to provide a more efficient (sampling) method for estimating Shapley values. Our method is applicable to any machine learning model, in particular for either multiclass classifications or regression problems. We apply the method to estimate Shapley values for multilayer Perceptrons (MLPs) and through experimentation on two datasets, we demonstrate that our method provides more accurate estimations of the Shapley values by reducing the variance of the sampling statistics

Improved Time-Series Clustering with UMAP Dimension Reduction Method

Clément Pealat, Vincent Cheutet, Guillaume Bouleux

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Auto-TLDR; Time Series Clustering with UMAP as a Pre-processing Step

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Clustering is an unsupervised machine learning method giving insights on data without early knowledge. Classes of data are return by assembling similar elements together. Giving the increasing of the available data, this method is now applied in a lot of fields with various data types. Here, we propose to explore the case of time series clustering. Indeed, time series are one of the most classic data type, and are present in various fields such as medical or finance. This kind of data can be pre-processed by of dimension reduction methods, such as the recent UMAP algorithm. In this paper, a benchmark of time series clustering is created, comparing the results with and without UMAP as a pre-processing step. UMAP is used to enhance clustering results. For completeness, three different clustering algorithms and two different geometric representation for the time series (Classic Euclidean geometry, and Riemannian geometry on the Stiefel Manifold) are applied. The results are compared with and without UMAP as a pre-processing step on the databases available at UCR Time Series Classification Archive www.cs.ucr.edu/~eamonn/time_series_data/.

3CS Algorithm for Efficient Gaussian Process Model Retrieval

Fabian Berns, Kjeld Schmidt, Ingolf Bracht, Christian Beecks

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Auto-TLDR; Efficient retrieval of Gaussian Process Models for large-scale data using divide-&-conquer-based approach

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Gaussian Process Models (GPMs) have been applied for various pattern recognition tasks due to their analytical tractability, ability to quantify uncertainty for their own results as well as to subsume prominent other regression techniques. Despite these promising prospects their super-quadratic computation time complexity for model selection and evaluation impedes its broader application for more than a few thousand data points. Although there have been many proposals towards Gaussian Processes for large-scale data, those only offer a linearly scaling improvement to a cubical scaling problem. In particular, solutions like the Nystrom approximation or sparse matrices are only taking fractions of the given data into account and subsequently lead to inaccurate models. In this paper, we thus propose a divide-&-conquer-based approach, that allows to efficiently retrieve GPMs for large-scale data. The resulting model is composed of independent pattern representations for non-overlapping segments of the given data and consequently reduces computation time significantly. Our performance analysis indicates that our proposal is able to outperform state-of-the-art algorithms for GPM retrieval with respect to the qualities of efficiency and accuracy.

Locality-Promoting Representation Learning

Johannes Schneider

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Auto-TLDR; Locality-promoting Regularization for Neural Networks

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This work investigates questions related to learning features in convolutional neural networks (CNN). Empirical findings across multiple architectures such as VGG, ResNet, Inception and MobileNet indicate that weights near the center of a filter are larger than weights on the outside. Current regularization schemes violate this principle. Thus, we introduce Locality-promoting Regularization, which yields accuracy gains across multiple architectures and datasets. We also show theoretically that the empirical finding could be explained by maximizing feature cohesion under the assumption of spatial locality.

Learning Sign-Constrained Support Vector Machines

Kenya Tajima, Kouhei Tsuchida, Esmeraldo Ronnie Rey Zara, Naoya Ohta, Tsuyoshi Kato

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Auto-TLDR; Constrained Sign Constraints for Learning Linear Support Vector Machine

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Domain knowledge is useful to improve the generalization performance of learning machines. Sign constraints are a handy representation to combine domain knowledge with learning machine. In this paper, we consider constraining the signs of the weight coefficients in learning the linear support vector machine, and develop two optimization algorithms for minimizing the empirical risk under the sign constraints. One of the two algorithms is based on the projected gradient method, in which each iteration of the projected gradient method takes O(nd) computational cost and the sublinear convergence of the objective error is guaranteed. The second algorithm is based on the Frank-Wolfe method that also converges sublinearly and possesses a clear termination criterion. We show that each iteration of the Frank-Wolfe also requires O(nd) cost. Furthermore, we derive the explicit expression for the minimal iteration number to ensure an epsilon-accurate solution by analyzing the curvature of the objective function. Finally, we empirically demonstrate that the sign constraints are a promising technique when similarities to the training examples compose the feature vector.

An Empirical Bayes Approach to Topic Modeling

Anirban Gangopadhyay

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Auto-TLDR; An Empirical Bayes Based Framework for Topic Modeling in Documents

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Given a corpus of documents, we consider the problem of finding latent topics, and introduce a novel Empirical Bayes based framework that allows us to choose the optimal topic modeling algorithm given observed variables in the data. We specifically consider three disparate algorithms - LDA, graph clustering, and non-negative matrix factorization - and provide a standardized framework that compares statistical and generative assumptions each algorithm makes. We then provide a model selection algorithm that quantifies each model based on how well assumptions match the data. We illustrate the efficacy of our approach by applying our framework to different sets of document corpuses and empirically measuring results.

An Invariance-Guided Stability Criterion for Time Series Clustering Validation

Florent Forest, Alex Mourer, Mustapha Lebbah, Hanane Azzag, Jérôme Lacaille

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Auto-TLDR; An invariance-guided method for clustering model selection in time series data

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Time series clustering is a challenging task due to the specificities of this type of data. Temporal correlation and invariance to transformations such as shifting, warping or noise prevent the use of standard data mining methods. Time series clustering has been mostly studied under the angle of finding efficient algorithms and distance metrics adapted to the specific nature of time series data. Much less attention has been devoted to the general problem of model selection. Clustering stability has emerged as a universal and model-agnostic principle for clustering model selection. This principle can be stated as follows: an algorithm should find a structure in the data that is resilient to perturbation by sampling or noise. We propose to apply stability analysis to time series by leveraging prior knowledge on the nature and invariances of the data. These invariances determine the perturbation process used to assess stability. Based on a recently introduced criterion combining between-cluster and within-cluster stability, we propose an invariance-guided method for model selection, applicable to a wide range of clustering algorithms. Experiments conducted on artificial and benchmark data sets demonstrate the ability of our criterion to discover structure and select the correct number of clusters, whenever data invariances are known beforehand.

Budgeted Batch Mode Active Learning with Generalized Cost and Utility Functions

Arvind Agarwal, Shashank Mujumdar, Nitin Gupta, Sameep Mehta

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Auto-TLDR; Active Learning Based on Utility and Cost Functions

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Active learning reduces the labeling cost by actively querying labels for the most valuable data points. Typical active learning methods select the most informative examples one-at-a-time, their batch variants exist where a set of most informative points are selected. These points are selected in such a way that when added to the training data along with their labels, they provide maximum benefit to the underlying model. In this paper, we present a learning framework that actively selects optimal set of examples (in a batch) within a given budget, based on given utility and cost functions. The framework is generic enough to incorporate any utility and any cost function defined on a set of examples. Furthermore, we propose a novel utility function based on the Facility Location problem that considers three important characteristics of utility i.e., diversity, density and point utility. We also propose a novel cost function, by formulating the cost computation problem as an optimization problem, the solution to which turns out to be the minimum spanning tree. Thus, our framework provides the optimal batch of points within the given budget based on the cost and utility functions. We evaluate our method on several data sets and show its superior performance over baseline methods.

Penalized K-Means Algorithms for Finding the Number of Clusters

Behzad Kamgar-Parsi, Behrooz Kamgar-Parsi

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Auto-TLDR; Exploring the coefficient of additive penalty in k-means for ideal clusters

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In many applications we want to find the number of clusters in a dataset. A common approach is to use a penalized k-means algorithm with an additive penalty term linear in the number of clusters. Obviously, the number of discovered clusters depends critically on the value of the coefficient of the penalty term, and an open problem is estimating the value of the coefficient in a principled manner. In this paper (a) We derive rigorous bounds for the coefficient of additive penalty in k-means for ideal clusters. Although in practice clusters typically deviate from the ideal assumption, the ideal case serves as a useful guideline. (b) We propose an alternative approach to additive penalty, namely multiplicative penalty, which appears to produce a more reliable signature for the correct number of clusters in most cases. We also empirically investigate certain types of deviations from ideal cluster assumption and show, in particular, that the best way to resolve ambiguous solutions is to combine additive and multiplicative penalties.

Adaptive Matching of Kernel Means

Miao Cheng, Xinge You

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Auto-TLDR; Adaptive Matching of Kernel Means for Knowledge Discovery and Feature Learning

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As a promising step, the performance of data analysis and feature learning are able to be improved if certain pattern matching mechanism is available. One of the feasible solutions can refer to the importance estimation of instances, and consequently, kernel mean matching (KMM) has become an important method for knowledge discovery and novelty detection in general. Furthermore, the existing KMM methods have focused on concrete learning frameworks. In this work, a novel approach to adaptive matching of kernel means is proposed, and selected data with high importance are adopted to achieve calculation efficiency with optimization. In addition, scalable learning can be conducted in proposed method as a generalized solution with appended data. The experimental results on a wide variety of real-world data sets demonstrate the proposed method is able to give outstanding performance compared with several state-of-the-art methods, while calculation efficiency can be preserved.

Stochastic Runge-Kutta Methods and Adaptive SGD-G2 Stochastic Gradient Descent

Gabriel Turinici, Imen Ayadi

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Auto-TLDR; Adaptive Stochastic Runge Kutta for the Minimization of the Loss Function

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The minimization of the loss function is of paramount importance in deep neural networks. Many popular optimization algorithms have been shown to correspond to some evolution equation of gradient flow type. Inspired by the numerical schemes used for general evolution equations, we introduce a second-order stochastic Runge Kutta method and show that it yields a consistent procedure for the minimization of the loss function. In addition, it can be coupled, in an adaptive framework, with the Stochastic Gradient Descent (SGD) to adjust automatically the learning rate of the SGD The resulting adaptive SGD, called SGD-G2, shows good results in terms of convergence speed when tested on standard data-sets.

Bayesian Active Learning for Maximal Information Gain on Model Parameters

Kasra Arnavaz, Aasa Feragen, Oswin Krause, Marco Loog

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Auto-TLDR; Bayesian assumptions for Bayesian classification

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The fact that machine learning models, despite their advancements, are still trained on randomly gathered data is proof that a lasting solution to the problem of optimal data gathering has not yet been found. In this paper, we investigate whether a Bayesian approach to the classification problem can provide assumptions under which one is guaranteed to perform at least as good as random sampling. For a logistic regression model, we show that maximal expected information gain on model parameters is a promising criterion for selecting samples, assuming that our classification model is well-matched to the data. Our derived criterion is closely related to the maximum model change. We experiment with data sets which satisfy this assumption to varying degrees to see how sensitive our performance is to the violation of our assumption in practice.

N2D: (Not Too) Deep Clustering Via Clustering the Local Manifold of an Autoencoded Embedding

Ryan Mcconville, Raul Santos-Rodriguez, Robert Piechocki, Ian Craddock

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Auto-TLDR; Local Manifold Learning for Deep Clustering on Autoencoded Embeddings

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Deep clustering has increasingly been demonstrating superiority over conventional shallow clustering algorithms. Deep clustering algorithms usually combine representation learning with deep neural networks to achieve this performance, typically optimizing a clustering and non-clustering loss. In such cases, an autoencoder is typically connected with a clustering network, and the final clustering is jointly learned by both the autoencoder and clustering network. Instead, we propose to learn an autoencoded embedding and then search this further for the underlying manifold. For simplicity, we then cluster this with a shallow clustering algorithm, rather than a deeper network. We study a number of local and global manifold learning methods on both the raw data and autoencoded embedding, concluding that UMAP in our framework is able to find the best clusterable manifold of the embedding. This suggests that local manifold learning on an autoencoded embedding is effective for discovering higher quality clusters. We quantitatively show across a range of image and time-series datasets that our method has competitive performance against the latest deep clustering algorithms, including out-performing current state-of-the-art on several. We postulate that these results show a promising research direction for deep clustering. The code can be found at https://github.com/rymc/n2d.

Position-Aware Safe Boundary Interpolation Oversampling

Yongxu Liu, Yan Liu

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Auto-TLDR; PABIO: Position-Aware Safe Boundary Interpolation-Based Oversampling for Imbalanced Data

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The class imbalance problem is characterized by the unequal distribution of different class samples, usually resulting in a learning bias toward the majority class. In the past decades, kinds of techniques have been proposed to alleviate this problem. Among those approaches, one promising method, interpolation- based oversampling, proposes to generate synthetic minority samples based on selected reference data, which can effectively solve the skewed distribution of data samples. However, there are several unsolved issues in interpolation-based oversampling. Existing methods often suffer from noisy synthetic samples due to improper data clusterings and unsatisfactory reference selection. In this paper, we propose the position-aware safe boundary interpolation oversampling algorithm (PABIO) to address such issues. We firstly introduce a combined clustering algorithm for minority samples to overcome the shortage of clustering using only distance-based or density-based. Then a position- aware interpolation-based oversampling algorithm is proposed for different minority clusters. Especially, we develop a novel method to leverage the majority class information to learn a safe boundary for generating synthetic points. The proposed PABIO is evaluated on multiple imbalanced data sets classified by two base classifiers: support vector machine (SVM) and C4.5 decision tree classifier. Experimental results show that our proposed PABIO outperforms other baselines among benchmark data sets.

A Hybrid Metric Based on Persistent Homology and Its Application to Signal Classification

Austin Lawson, Yu-Min Chung, William Cruse

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Auto-TLDR; Topological Data Analysis with Persistence Curves

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Topological Data Analysis (TDA) is a rising field in machine learning. TDA considers the shape of data set. Persistence diagrams, one of main tools in TDA, store topological information about the data. Persistence curves, a recently developed framework, provides a canonical and flexible way to encode the information presented in persistence diagrams into vectors. Based on persistence curves, we (1) provide new sets of features for time series, (2) prove that these features are robust to noise, (3) propose a hybrid metric that takes both geometric and topological information of the time series into account. Finally, we apply these metrics to the UCR Time Series Classification Archive. These empirical results show that our metrics perform better than the relevant benchmark in most cases.

Unveiling Groups of Related Tasks in Multi-Task Learning

Jordan Frecon, Saverio Salzo, Massimiliano Pontil

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Auto-TLDR; Continuous Bilevel Optimization for Multi-Task Learning

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A common approach in multi-task learning is to encourage the tasks to share a low dimensional representation. This has led to the popular method of trace norm regularization, which has proved effective in many applications. In this paper, we extend this approach by allowing the tasks to partition into different groups, within which trace norm regularization is separately applied. We propose a continuous bilevel optimization framework to simultaneously identify groups of related tasks and learn a low dimensional representation within each group. Hinging on recent results on the derivative of generalized matrix functions, we devise a smooth approximation of the upper-level objective via a dual forward-backward algorithm with Bregman distances. This allows us to solve the bilevel problem by a gradient-based scheme. Numerical experiments on synthetic and benchmark datasets support the effectiveness of the proposed method.

One Step Clustering Based on A-Contrario Framework for Detection of Alterations in Historical Violins

Alireza Rezaei, Sylvie Le Hégarat-Mascle, Emanuel Aldea, Piercarlo Dondi, Marco Malagodi

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Auto-TLDR; A-Contrario Clustering for the Detection of Altered Violins using UVIFL Images

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Preventive conservation is an important practice in Cultural Heritage. The constant monitoring of the state of conservation of an artwork helps us reduce the risk of damage and number of interventions necessary. In this work, we propose a probabilistic approach for the detection of alterations on the surface of historical violins based on an a-contrario framework. Our method is a one step NFA clustering solution which considers grey-level and spatial density information in one background model. The proposed method is robust to noise and avoids parameter tuning and any assumption about the quantity of the worn out areas. We have used as input UV induced fluorescence (UVIFL) images for considering details not perceivable with visible light. Tests were conducted on image sequences included in the ``Violins UVIFL imagery'' dataset. Results illustrate the ability of the algorithm to distinguish the worn area from the surrounding regions. Comparisons with the state of the art clustering methods shows improved overall precision and recall.

Temporal Pattern Detection in Time-Varying Graphical Models

Federico Tomasi, Veronica Tozzo, Annalisa Barla

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Auto-TLDR; A dynamical network inference model that leverages on kernels to consider general temporal patterns

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Graphical models allow to describe the interplay among variables of a system through a compact representation, suitable when relations evolve over time. For example, in a biological setting, genes interact differently depending on external environmental or metabolic factors. To incorporate this dynamics a viable strategy is to estimate a sequence of temporally related graphs assuming similarity among samples in different time points. While adjacent time points may direct the analysis towards a robust estimate of the underlying graph, the resulting model will not incorporate long-term or recurrent temporal relationships. In this work we propose a dynamical network inference model that leverages on kernels to consider general temporal patterns (such as circadian rhythms or seasonality). We show how our approach may also be exploited when the recurrent patterns are unknown, by coupling the network inference with a clustering procedure that detects possibly non-consecutive similar networks. Such clusters are then used to build similarity kernels. The convexity of the functional is determined by whether we impose or infer the kernel. In the first case, the optimisation algorithm exploits efficiently proximity operators with closed-form solutions. In the other case, we resort to an alternating minimisation procedure which jointly learns the temporal kernel and the underlying network. Extensive analysis on synthetic data shows the efficacy of our models compared to state-of-the-art methods. Finally, we applied our approach on two real-world applications to show how considering long-term patterns is fundamental to have insights on the behaviour of a complex system.

Sparse-Dense Subspace Clustering

Shuai Yang, Wenqi Zhu, Yuesheng Zhu

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Auto-TLDR; Sparse-Dense Subspace Clustering with Piecewise Correlation Estimation

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Subspace clustering refers to the problem of clustering high-dimensional data into a union of low-dimensional subspaces. Current subspace clustering approaches are usually based on a two-stage framework. In the first stage, an affinity matrix is generated from data. In the second one, spectral clustering is applied on the affinity matrix. However, the affinity matrix produced by two-stage methods cannot fully reveal the similarity between data points from the same subspace, resulting in inaccurate clustering. Besides, most approaches fail to solve large-scale clustering problems due to poor efficiency. In this paper, we first propose a new scalable sparse method called Iterative Maximum Correlation (IMC) to learn the affinity matrix from data. Then we develop Piecewise Correlation Estimation (PCE) to densify the intra-subspace similarity produced by IMC. Finally we extend our work into a Sparse-Dense Subspace Clustering (SDSC) framework with a dense stage to optimize the affinity matrix for two-stage methods. We show that IMC is efficient for large-scale tasks, and PCE ensures better performance for IMC. We show the universality of our SDSC framework for current two-stage methods as well. Experiments on benchmark data sets demonstrate the effectiveness of our approaches.

Active Sampling for Pairwise Comparisons via Approximate Message Passing and Information Gain Maximization

Aliaksei Mikhailiuk, Clifford Wilmot, Maria Perez-Ortiz, Dingcheng Yue, Rafal Mantiuk

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Auto-TLDR; ASAP: An Active Sampling Algorithm for Pairwise Comparison Data

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Pairwise comparison data arise in many domains with subjective assessment experiments, for example in image and video quality assessment. In these experiments observers are asked to express a preference between two conditions. However, many pairwise comparison protocols require a large number of comparisons to infer accurate scores, which may be unfeasible when each comparison is time-consuming (e.g. videos) or expensive (e.g. medical imaging). This motivates the use of an active sampling algorithm that chooses only the most informative pairs for comparison. In this paper we propose ASAP, an active sampling algorithm based on approximate message passing and expected information gain maximization. Unlike most existing methods, which rely on partial updates of the posterior distribution, we are able to perform full updates and therefore much improve the accuracy of the inferred scores. The algorithm relies on three techniques for reducing computational cost: inference based on approximate message passing, selective evaluations of the information gain, and selecting pairs in a batch that forms a minimum spanning tree of the inverse of information gain. We demonstrate, with real and synthetic data, that ASAP offers the highest accuracy of inferred scores compared to the existing methods. We also provide an open-source GPU implementation of ASAP for large-scale experiments.

Probabilistic Latent Factor Model for Collaborative Filtering with Bayesian Inference

Jiansheng Fang, Xiaoqing Zhang, Yan Hu, Yanwu Xu, Ming Yang, Jiang Liu

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Auto-TLDR; Bayesian Latent Factor Model for Collaborative Filtering

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Latent Factor Model (LFM) is one of the most successful methods for Collaborative filtering (CF) in the recommendation system, in which both users and items are projected into a joint latent factor space. Base on matrix factorization applied usually in pattern recognition, LFM models user-item interactions as inner products of factor vectors of user and item in that space and can be efficiently solved by least square methods with optimal estimation. However, such optimal estimation methods are prone to overfitting due to the extreme sparsity of user-item interactions. In this paper, we propose a Bayesian treatment for LFM, named Bayesian Latent Factor Model (BLFM). Based on observed user-item interactions, we build a probabilistic factor model in which the regularization is introduced via placing prior constraint on latent factors, and the likelihood function is established over observations and parameters. Then we draw samples of latent factors from the posterior distribution with Variational Inference (VI) to predict expected value. We further make an extension to BLFM, called BLFMBias, incorporating user-dependent and item-dependent biases into the model for enhancing performance. Extensive experiments on the movie rating dataset show the effectiveness of our proposed models by compared with several strong baselines.

Subspace Clustering Via Joint Unsupervised Feature Selection

Wenhua Dong, Xiaojun Wu, Hui Li, Zhenhua Feng, Josef Kittler

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Auto-TLDR; Unsupervised Feature Selection for Subspace Clustering

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Any high-dimensional data arising from practical applications usually contains irrelevant features, which may impact on the performance of existing subspace clustering methods. This paper proposes a novel subspace clustering method, which reconstructs the feature matrix by the means of unsupervised feature selection (UFS) to achieve a better dictionary for subspace clustering (SC). Different from most existing clustering methods, the proposed approach uses a reconstructed feature matrix as the dictionary rather than the original data matrix. As the feature matrix reconstructed by representative features is more discriminative and closer to the ground-truth, it results in improved performance. The corresponding non-convex optimization problem is effectively solved using the half-quadratic and augmented Lagrange multiplier methods. Extensive experiments on four real datasets demonstrate the effectiveness of the proposed method.

An Efficient Empirical Solver for Localized Multiple Kernel Learning Via DNNs

Ziming Zhang

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Auto-TLDR; Localized Multiple Kernel Learning using LMKL-Net

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In this paper we propose solving localized multiple kernel learning (LMKL) using LMKL-Net, a feedforward deep neural network (DNN). In contrast to previous works, as a learning principle we propose parameterizing the gating function for learning kernel combination weights and the multiclass classifier using an attentional network (AN) and a multilayer perceptron (MLP), respectively. Such interpretability helps us better understand how the network solves the problem. Thanks to stochastic gradient descent (SGD), our approach has {\em linear} computational complexity in training. Empirically on benchmark datasets we demonstrate that with comparable or better accuracy than the state-of-the-art, our LMKL-Net can be trained about {\bf two orders of magnitude} faster with about {\bf two orders of magnitude} smaller memory footprint for large-scale learning.

Mean Decision Rules Method with Smart Sampling for Fast Large-Scale Binary SVM Classification

Alexandra Makarova, Mikhail Kurbakov, Valentina Sulimova

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Auto-TLDR; Improving Mean Decision Rule for Large-Scale Binary SVM Problems

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This paper relies on the Mean Decision Rule (MDR) method for solving large-scale binary SVM problems. It consists in taking small random samples of the full dataset and separate training for each of them with consecutive averaging the respective individual decision rules to obtain a final one. This paper proposes two new approaches to improve it. The first proposed approach is a new sampling technique that exploits SVM and MDR properties to fast form so called smart samples by selecting only the objects, that are candidates to be the support ones. The proposed technique essentially increases MDR convergence and allows to reach the highest quality in less time. In the case of kernel-based MDR (KMDR) the proposed sampling technique allows additionally to reduce the number of support objects in the final decision rule and, as a result, to decrease the recognition time. The second proposed approach is a new data strategy to accelerate random access to large datasets stored in the traditional libsvm format. The proposed strategy allows to quickly extract random subsets of objects from a file and load them into RAM, and is it also suitable for any sampling-based methods, including stochastic gradient methods. Joint using of the proposed approaches with (K)MDR allows to obtain the best (or near the best) decision of large-scale binary SVM problems faster, compared to the existing SVM solvers.

PIF: Anomaly detection via preference embedding

Filippo Leveni, Luca Magri, Giacomo Boracchi, Cesare Alippi

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Auto-TLDR; PIF: Anomaly Detection with Preference Embedding for Structured Patterns

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We address the problem of detecting anomalies with respect to structured patterns. To this end, we conceive a novel anomaly detection method called PIF, that combines the advantages of adaptive isolation methods with the flexibility of preference embedding. Specifically, we propose to embed the data in a high dimensional space where an efficient tree-based method, PI-FOREST, is employed to compute an anomaly score. Experiments on synthetic and real datasets demonstrate that PIF favorably compares with state-of-the-art anomaly detection techniques, and confirm that PI-FOREST is better at measuring arbitrary distances and isolate points in the preference space.

Graph Approximations to Geodesics on Metric Graphs

Robin Vandaele, Yvan Saeys, Tijl De Bie

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Auto-TLDR; Topological Pattern Recognition of Metric Graphs Using Proximity Graphs

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In machine learning, high-dimensional point clouds are often assumed to be sampled from a topological space of which the intrinsic dimension is significantly lower than the representation dimension. Proximity graphs, such as the Rips graph or kNN graph, are often used as an intermediate representation to learn or visualize topological and geometrical properties of this space. The key idea behind this approach is that distances on the graph preserve the geodesic distances on the unknown space well, and as such, can be used to infer local and global geometric patterns of this space. Prior results provide us with conditions under which these distances are well-preserved for geodesically convex, smooth, compact manifolds. Yet, proximity graphs are ideal representations for a much broader class of spaces, such as metric graphs, i.e., graphs embedded in the Euclidean space. It turns out—as proven in this paper—that these existing conditions cannot be straightforwardly adapted to these spaces. In this work, we provide novel, flexible, and insightful characteristics and results for topological pattern recognition of metric graphs to bridge this gap.

Deep Convolutional Embedding for Digitized Painting Clustering

Giovanna Castellano, Gennaro Vessio

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Auto-TLDR; A Deep Convolutional Embedding Model for Clustering Artworks

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Clustering artworks is difficult because of several reasons. On one hand, recognizing meaningful patterns in accordance with domain knowledge and visual perception is extremely hard. On the other hand, the application of traditional clustering and feature reduction techniques to the highly dimensional pixel space can be ineffective. To address these issues, we propose to use a deep convolutional embedding model for digitized painting clustering, in which the task of mapping the input raw data to an abstract, latent space is jointly optimized with the task of finding a set of cluster centroids in this latent feature space. Quantitative and qualitative experimental results show the effectiveness of the proposed method. The model is also able to outperform other state-of-the-art deep clustering approaches to the same problem. The proposed method may be beneficial to several art-related tasks, particularly visual link retrieval and historical knowledge discovery in painting datasets.

Low Rank Representation on Product Grassmann Manifolds for Multi-viewSubspace Clustering

Jipeng Guo, Yanfeng Sun, Junbin Gao, Yongli Hu, Baocai Yin

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Auto-TLDR; Low Rank Representation on Product Grassmann Manifold for Multi-View Data Clustering

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Clustering high dimension multi-view data with complex intrinsic properties and nonlinear manifold structure is a challenging task since these data are always embedded in low dimension manifolds. Inspired by Low Rank Representation (LRR), some researchers extended classic LRR on Grassmann manifold or Product Grassmann manifold to represent data with non-linear metrics. However, most of these methods utilized convex nuclear norm to leverage a low-rank structure, which was over-relaxation of true rank and would lead to the results deviated from the true underlying ones. And, the computational complexity of singular value decomposition of matrix is high for nuclear norm minimization. In this paper, we propose a new low rank model for high-dimension multi-view data clustering on Product Grassmann Manifold with the matrix tri-factorization which is used to control the upper bound of true rank of representation matrix. And, the original problem can be transformed into the nuclear norm minimization with smaller scale matrices. An effective solution and theoretical analysis are also provided. The experimental results show that the proposed method obviously outperforms other state-of-the-art methods on several multi-source human/crowd action video datasets.

On the Global Self-attention Mechanism for Graph Convolutional Networks

Chen Wang, Deng Chengyuan

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Auto-TLDR; Global Self-Attention Mechanism for Graph Convolutional Networks

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Applying Global Self-Attention (GSA) mechanism over features has achieved remarkable success on Convolutional Neural Networks (CNNs). However, it is not clear if Graph Convolutional Networks (GCNs) can similarly benefit from such a technique. In this paper, inspired by the similarity between CNNs and GCNs, we study the impact of the Global Self-Attention mechanism on GCNs. We find that consistent with the intuition, the GSA mechanism allows GCNs to capture feature-based vertex relations regardless of edge connections; As a result, the GSA mechanism can introduce extra expressive power to the GCNs. Furthermore, we analyze the impacts of the GSA mechanism on the issues of overfitting and over-smoothing. We prove that the GSA mechanism can alleviate both the overfitting and the over-smoothing issues based on some recent technical developments. Experiments on multiple benchmark datasets illustrate both superior expressive power and less significant overfitting and over-smoothing problems for the GSA-augmented GCNs, which corroborate the intuitions and the theoretical results.

A Novel Adaptive Minority Oversampling Technique for Improved Classification in Data Imbalanced Scenarios

Ayush Tripathi, Rupayan Chakraborty, Sunil Kumar Kopparapu

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Auto-TLDR; Synthetic Minority OverSampling Technique for Imbalanced Data

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Imbalance in the proportion of training samples belonging to different classes often poses performance degradation of conventional classifiers. This is primarily due to the tendency of the classifier to be biased towards the majority classes in the imbalanced dataset. In this paper, we propose a novel three step technique to address imbalanced data. As a first step we significantly oversample the minority class distribution by employing the traditional Synthetic Minority OverSampling Technique (SMOTE) algorithm using the neighborhood of the minority class samples and in the next step we partition the generated samples using a Gaussian-Mixture Model based clustering algorithm. In the final step synthetic data samples are chosen based on the weight associated with the cluster, the weight itself being determined by the distribution of the majority class samples. Extensive experiments on several standard datasets from diverse domains show the usefulness of the proposed technique in comparison with the original SMOTE and its state-of-the-art variants algorithms.

Automatically Mining Relevant Variable Interactions Via Sparse Bayesian Learning

Ryoichiro Yafune, Daisuke Sakuma, Yasuo Tabei, Noritaka Saito, Hiroto Saigo

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Auto-TLDR; Sparse Bayes for Interpretable Non-linear Prediction

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With the rapid increase in the availability of large amount of data, prediction is becoming increasingly popular, and has widespread through our daily life. However, powerful non- linear prediction methods such as deep learning and SVM suffer from interpretability problem, making it hard to use in domains where the reason for decision making is required. In this paper, we develop an interpretable non-linear model called itemset Sparse Bayes (iSB), which builds a Bayesian probabilistic model, while simultaneously considering variable interactions. In order to suppress the resulting large number of variables, sparsity is imposed on regression weights by a sparsity inducing prior. As a subroutine to search for variable interactions, itemset enumeration algorithm is employed with a novel bounding condition. In computational experiments using real-world dataset, the proposed method performed better than decision tree by 10% in terms of r-squared . We also demonstrated the advantage of our method in Bayesian optimization setting, in which the proposed approach could successfully find the maximum of an unknown function faster than Gaussian process. The interpretability of iSB is naturally inherited to Bayesian optimization, thereby gives us a clue to understand which variables interactions are important in optimizing an unknown function.

A Randomized Algorithm for Sparse Recovery

Huiyuan Yu, Maggie Cheng, Yingdong Lu

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Auto-TLDR; A Constrained Graph Optimization Algorithm for Sparse Signal Recovery

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This paper considers the problem of sparse signal recovery where there is a structure in the signal. Efficient recovery schemes can be designed to leverage the signal structure. Following the model-based compressive sensing framework, we have developed an efficient algorithm for both head and tail approximations for the model-projection problem. The problem is modeled as a constrained graph optimization problem, which is an NP-hard optimization problem. Solving the NP-hard optimization program is then transformed to solving a linear program and finding a randomized algorithm to find an integral solution. The integral solution is optimal-in-expectation. The algorithm is proved to have the same geometric convergence as previous work. The algorithm has been tested on various compressing matrices. It worked well with the matrices with the Restricted Isometry Property (RIP), also worked well with some matrices that have not been shown to have RIP. The proposed algorithm demonstrated improved recoverability and used fewer number of iterations to recover the signal.

Fast Subspace Clustering Based on the Kronecker Product

Lei Zhou, Xiao Bai, Liang Zhang, Jun Zhou, Edwin Hancock

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Auto-TLDR; Subspace Clustering with Kronecker Product for Large Scale Datasets

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Subspace clustering is a useful technique for many computer vision applications in which the intrinsic dimension of high-dimensional data is often smaller than the ambient dimension. Spectral clustering, as one of the main approaches to subspace clustering, often takes on a sparse representation or a low-rank representation to learn a block diagonal self-representation matrix for subspace generation. However, existing methods require solving a large scale convex optimization problem with a large set of data, with computational complexity reaches O(N^3) for N data points. Therefore, the efficiency and scalability of traditional spectral clustering methods can not be guaranteed for large scale datasets. In this paper, we propose a subspace clustering model based on the Kronecker product. Due to the property that the Kronecker product of a block diagonal matrix with any other matrix is still a block diagonal matrix, we can efficiently learn the representation matrix which is formed by the Kronecker product of k smaller matrices. By doing so, our model significantly reduces the computational complexity to O(kN^{3/k}). Furthermore, our model is general in nature, and can be adapted to different regularization based subspace clustering methods. Experimental results on two public datasets show that our model significantly improves the efficiency compared with several state-of-the-art methods. Moreover, we have conducted experiments on synthetic data to verify the scalability of our model for large scale datasets.

Feature-Aware Unsupervised Learning with Joint Variational Attention and Automatic Clustering

Wang Ru, Lin Li, Peipei Wang, Liu Peiyu

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Auto-TLDR; Deep Variational Attention Encoder-Decoder for Clustering

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Deep clustering aims to cluster unlabeled real-world samples by mining deep feature representation. Most of existing methods remain challenging when handling high-dimensional data and simultaneously exploring the complementarity of deep feature representation and clustering. In this paper, we propose a novel Deep Variational Attention Encoder-decoder for Clustering (DVAEC). Our DVAEC improves the representation learning ability by fusing variational attention. Specifically, we design a feature-aware automatic clustering module to mitigate the unreliability of similarity calculation and guide network learning. Besides, to further boost the performance of deep clustering from a global perspective, we define a joint optimization objective to promote feature representation learning and automatic clustering synergistically. Extensive experimental results show the promising performance achieved by our DVAEC on six datasets comparing with several popular baseline clustering methods.

Factor Screening Using Bayesian Active Learning and Gaussian Process Meta-Modelling

Cheng Li, Santu Rana, Andrew William Gill, Dang Nguyen, Sunil Kumar Gupta, Svetha Venkatesh

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Auto-TLDR; Data-Efficient Bayesian Active Learning for Factor Screening in Combat Simulations

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In this paper we propose a data-efficient Bayesian active learning framework for factor screening, which is important when dealing with systems which are expensive to evaluate, such as combat simulations. We use Gaussian Process meta-modelling with the Automatic Relevance Determination covariance kernel, which measures the importance of each factor by the inverse of their associated length-scales in the kernel. This importance measures the degree of non-linearity in the simulation response with respect to the corresponding factor. We initially place a prior over the length-scale values, then use the estimated posterior to select the next datum to simulate which maximises the mutual entropy between the length-scales and the unknown simulation response. Our goal-driven Bayesian active learning strategy ensures that we are data-efficient in discovering the correct values of the length-scales compared to either a random-sampling or uncertainty-sampling based approach. We apply our method to an expensive combat simulation and demonstrate the superiority of our approach.